168 energy=-1497.81384264 config_type=nep2xyz pbc="T T T" virial="-19.15935982652345 -0.010993278668775428 -0.04538470298665653 -0.010993278668775428 -27.363339991666553 0.006287984296926024 -0.04538470298665653 0.006287984296926024 -4.004847141494551" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.77585 -0.001587 -0.005739 -0.004772 B 2.965 0.89696 19.78972 -0.004974 -0.0006 -0.001915 B 0.74125 4.74933 19.76999 -0.001531 0.015824 -0.006171 B 2.965 3.46521 19.75438 0.006418 0.000296 -0.008597 B 0.74125 7.31758 19.79621 0.000489 -0.006109 1.9e-05 B 2.965 6.03346 19.78263 -0.009677 0.005657 -0.003472 B 0.74125 9.88583 19.79114 -0.024024 0.000788 -0.000343 B 2.965 8.60171 19.80324 0.002021 0.011672 0.003108 B 0.74125 12.45408 19.78891 -0.024334 -0.00013 -0.000799 B 2.965 11.16996 19.80034 0.001083 0.003263 0.002043 B 0.74125 15.02233 19.80076 -0.006172 -0.003687 0.000717 B 2.965 13.73821 19.8026 0.002702 -0.017638 0.002736 B 5.18875 2.18108 19.79327 -0.00086 0.003827 -0.000657 B 7.4125 0.89696 19.80223 0.017607 -0.000383 0.001565 B 5.18875 4.74933 19.79269 0.000599 -0.003413 -0.000729 B 7.4125 3.46521 19.7978 0.009029 0.000815 -5.7e-05 B 5.18875 7.31758 19.80314 0.002993 0.008896 0.00288 B 7.4125 6.03346 19.80315 0.016204 0.000159 0.002061 B 5.18875 9.88583 19.78642 0.006441 0.018414 -0.00117 B 7.4125 8.60171 19.78952 0.017056 0.026201 -0.000536 B 5.18875 12.45408 19.77956 0.006383 -0.020703 -0.002765 B 7.4125 11.16996 19.76202 0.007522 -0.004292 -0.006771 B 5.18875 15.02233 19.79829 0.009543 -0.016427 0.001454 B 7.4125 13.73821 19.78163 0.013878 -0.017471 -0.002641 N 1.4825 0.89696 19.7917 0.010567 0.018225 -0.002296 N 3.70625 2.18108 19.77282 -0.001143 0.012503 -0.005435 N 1.4825 3.46521 19.74074 -0.004841 -0.009141 -0.009838 N 3.70625 4.74933 19.76843 -0.004743 -0.021027 -0.006657 N 1.4825 6.03346 19.77893 0.009 -0.002542 -0.004768 N 3.70625 7.31758 19.80114 -0.005735 -0.019966 0.002209 N 1.4825 8.60171 19.80174 -0.001826 3e-05 0.002398 N 3.70625 9.88583 19.79989 0.003631 -0.003358 0.00262 N 1.4825 11.16996 19.79793 0.00263 6.9e-05 0.000925 N 3.70625 12.45408 19.7957 0.001138 0.005517 0.001573 N 1.4825 13.73821 19.80239 -0.004342 0.000316 0.002423 N 3.70625 15.02233 19.80249 -0.001986 0.015923 0.002314 N 5.93 0.89696 19.80358 -0.011944 0.006112 0.002531 N 8.15375 2.18108 19.79498 0.01237 0.004759 -0.000593 N 5.93 3.46521 19.7986 -0.011132 0.000334 0.000376 N 8.15375 4.74933 19.79357 0.016925 -0.008828 -0.001167 N 5.93 6.03346 19.8054 -0.013182 -0.008877 0.003656 N 8.15375 7.31758 19.80079 -0.004149 -0.001736 0.001736 N 5.93 8.60171 19.79545 0.001627 -0.002874 0.000898 N 8.15375 9.88583 19.76976 0.003304 -0.011723 -0.004429 N 5.93 11.16996 19.76016 -0.031827 0.011921 -0.006239 N 8.15375 12.45408 19.7634 0.01779 0.009391 -0.005831 N 5.93 13.73821 19.78309 0.003059 0.020095 -0.002083 N 8.15375 15.02233 19.79907 -0.009003 -0.007028 0.000785 C 0.02026 13.72285 27.81574 -0.002343 0.000344 0.000802 C 0.80493 12.61778 27.65852 0.00683 -0.001387 0.000141 C 5.72138 12.6184 23.05056 0.019488 -0.016376 9.5e-05 C 0.55637 11.4533 28.45756 0.000903 0.000846 0.00059 C 7.07801 12.17614 22.80069 -0.019001 -0.070189 -1.8e-05 C 1.44277 12.24213 26.34447 0.008052 0.002581 0.001114 C 0.35483 10.76381 23.98871 0.026185 -0.006387 0.000134 C 8.82882 13.9368 25.33813 0.000475 0.008708 0.001322 C 5.49669 13.72304 23.88498 0.000296 0.030235 0.000246 C 7.90466 13.99719 24.22006 0.0288 0.009914 -0.000111 C 5.72144 10.28834 23.05129 0.011932 0.002773 0.000187 C 0.75112 12.86222 25.19808 -0.001147 -0.007164 -0.000375 C 8.15485 12.86636 23.37433 0.018694 0.014183 0.000147 C 4.51331 13.93679 27.32159 0.000329 -0.007187 -0.000168 C 3.69599 12.86217 27.46107 0.013462 -0.00071 0.000614 C 8.15489 10.04039 23.3744 0.010096 0.003678 0.000242 C 5.43746 13.99711 28.44022 -0.012233 -0.006108 0.000392 C 3.00435 12.24209 26.31441 -0.00248 -0.00058 -0.00023 C 7.07803 10.73066 22.80041 -0.007599 0.060822 3e-06 C 0.35481 12.14292 23.98865 0.02543 0.007816 0.0005 C 8.5587 14.6089 26.64142 0.007065 0.009092 -0.001098 C 7.09693 14.81471 26.85024 -0.008149 -0.004805 0.003755 C 4.42688 13.72281 24.84341 0.001281 0.013322 7.2e-05 C 5.49677 9.18369 23.88522 -0.002342 -0.015106 0.00017 C 4.78355 14.60884 26.01796 -0.008389 0.005435 0.00119 C 6.61226 14.41639 24.46798 -0.021403 0.01665 0.001147 C 6.2453 14.81459 25.80878 0.007108 -0.005095 -0.003075 C 6.61235 8.49034 24.46823 -0.010151 -0.017625 -0.000464 C 8.45334 11.45326 29.44679 0.002338 0.001505 0.000369 C 3.64212 12.61777 25.00026 -0.016303 -0.007397 0.000406 C 4.46806 1.4791 24.84403 0.007546 -0.006695 0.000771 C 5.25289 2.58408 25.00097 0.012906 -0.004857 6e-05 C 1.2743 2.58345 29.61039 0.005351 -0.009134 0.000527 C 5.00438 3.74857 24.20159 0.013743 -0.002556 0.000674 C 2.6309 3.02576 29.86928 0.018253 0.001283 0.000637 C 5.89065 2.9597 26.3149 0.004578 -0.001589 0.001376 C 4.8027 4.43805 28.67164 -0.000667 -0.001496 0.000355 C 4.38155 1.26507 27.32191 0.001184 0.003713 0.00131 C 1.04953 1.47879 28.77461 0.008103 -7.8e-05 0.000844 C 3.45745 1.20467 28.44058 0.012527 0.006763 0.000275 C 1.27433 4.91354 29.61063 0.005808 0.007388 0.00064 C 5.19898 2.33959 27.46151 -0.0117 -0.000841 -5.6e-05 C 3.70771 2.33552 29.28853 -0.001161 -0.001614 0.000494 C 0.06609 1.26508 25.33789 0.011051 -0.015518 -0.001025 C 8.14385 2.33972 25.19801 -0.007138 0.015958 0.001608 C 3.70773 5.16145 29.28876 0.002989 -0.000965 0.000552 C 0.99027 1.20477 24.22005 -0.021366 -0.032189 0.001026 C 7.45222 2.95976 26.34462 -0.00701 -0.004829 -0.000522 C 2.63092 4.47122 29.86943 0.017706 -0.000398 0.000661 C 4.8027 3.05891 28.67147 -0.001337 0.00145 0.000697 C 4.11134 0.59306 26.01826 0.007432 -0.006829 -0.001033 C 2.64958 0.38731 25.80885 -0.011883 0.007093 0.006841 C 8.87467 1.47904 27.81579 0.002415 -0.001099 6.5e-05 C 1.0496 6.01828 28.77496 0.006331 0.000673 0.000777 C 0.3362 0.59299 26.64137 -0.005757 -0.005038 0.002609 C 2.16506 0.78538 28.19123 -0.001771 0.006737 0.002106 C 1.79796 0.38717 26.85051 0.011161 0.001637 -0.005872 C 2.16514 6.71166 28.19166 -0.00148 -0.004671 0.001528 C 4.00632 3.7486 23.21417 0.012285 0.000979 0.000248 C 8.09004 2.58412 27.65857 -0.005592 -7e-06 0.001206 C 4.42694 9.18385 24.84355 0.001098 -0.01821 0.000433 C 3.64211 10.28883 25.00023 -0.01407 0.008094 2.2e-05 C 7.6207 10.2882 29.61032 -0.005113 -0.008494 0.000374 C 3.89062 11.45332 24.20061 -0.014988 0.000376 0.000265 C 6.2641 10.73051 29.86893 -0.019876 0.000331 0.000405 C 3.00435 10.66445 26.31437 -0.002016 -0.000548 0.000805 C 4.0923 12.1428 28.67106 0.000221 -0.000845 0.000156 C 4.51345 8.96982 27.32161 -7.3e-05 0.007122 0.000803 C 7.84547 9.18354 28.77457 -0.009298 -0.001092 0.000438 C 5.43755 8.90942 28.44028 -0.012652 0.007078 0.000238 C 7.62067 12.61829 29.61029 -0.006697 0.008706 0.000446 C 3.69602 10.04434 27.4611 0.012566 0.000313 -0.000135 C 5.18729 10.04027 29.28825 -0.002829 0.000923 0.000293 C 8.82891 8.96983 25.33818 0.002385 -0.007632 -0.000259 C 0.75115 10.04447 25.19814 -0.000751 0.003767 0.000897 C 5.18727 12.8662 29.28819 -0.002803 -0.002729 0.000324 C 7.90473 8.90952 24.2201 0.024811 -0.020086 0.000556 C 1.44278 10.66451 26.3445 0.008807 -0.003954 -0.000233 C 6.26408 12.17597 29.86892 -0.020617 0.003681 0.000306 C 4.0923 10.76366 28.6711 0.000917 0.001359 0.000413 C 4.78366 8.29781 26.01807 -0.009918 -0.007924 -0.00034 C 6.24542 8.09206 25.80879 0.006926 0.004311 0.003123 C 0.02033 9.18379 27.8158 -0.002575 -0.00033 0.000397 C 7.8454 13.72303 28.77456 -0.008771 0.001317 0.00016 C 8.55881 8.29774 26.6415 0.006111 -0.006801 0.001132 C 6.72994 8.49013 28.19122 0.001118 0.004725 0.001028 C 7.09704 8.09192 26.85038 -0.009541 0.004617 -0.002339 C 6.72986 14.41641 28.19119 0.00112 -0.004275 -0.000457 C 4.88868 11.45335 23.21199 -0.010598 -0.007301 0.000162 C 0.80496 10.28887 27.6585 0.006987 -0.000639 0.000557 C 8.87474 6.0181 27.81612 0.00076 0.000978 0.000667 C 8.09007 4.91303 27.65877 -0.005586 -0.00091 0.000457 C 3.17362 4.91365 23.05328 -0.035269 -0.023827 0.000375 C 8.33863 3.74855 28.45773 -0.000785 -0.001196 0.000555 C 1.81699 4.47139 22.80322 0.035026 -0.056598 1.9e-05 C 7.45223 4.53738 26.34479 -0.007671 0.00288 0.001527 C 8.54017 3.05906 23.98921 -0.03367 0.015718 0.000196 C 0.06618 6.23205 25.33844 0.006694 0.015498 0.000624 C 3.39831 6.01829 23.88613 0.000912 0.040994 0.000348 C 0.99034 6.29244 24.22068 -0.026114 0.034999 0.000484 C 3.17356 2.58359 23.05229 -0.014453 0.017223 0.000363 C 8.14388 5.15747 25.19839 -0.005455 -0.016493 0.000154 C 0.74015 5.16161 23.37481 -0.018866 0.007431 0.000434 C 4.38169 6.23204 27.32228 0.001216 -0.003525 0.000473 C 5.19901 5.15742 27.46172 -0.012578 0.000456 0.001107 C 0.74011 2.33564 23.37381 -0.037796 -0.026128 0.000391 C 3.45754 6.29236 28.44088 0.012923 -0.006793 0.000633 C 5.89065 4.53734 26.3151 0.00423 -0.001143 -0.00024 C 1.81697 3.02591 22.8027 0.033471 0.084635 -4.8e-05 C 8.54019 4.43817 23.98948 -0.041593 -0.0124 0.000771 C 0.3363 6.90415 26.64178 -0.008071 0.007968 0.00105 C 1.79807 7.10996 26.85088 0.009174 -0.0035 -0.002919 C 4.46812 6.01806 24.84467 0.018664 0.000757 0.000541 C 3.39823 1.47894 23.88568 0.00184 -0.039314 0.000224 C 4.11145 6.90409 26.01869 0.00783 0.00723 4.2e-05 C 2.28274 6.71164 24.46868 0.008685 0.020924 -0.000367 C 2.6497 7.10984 25.8093 -0.009753 -0.004267 0.004224 C 2.28265 0.78559 24.4683 0.006116 -0.024581 -0.001197 C 0.44166 3.74851 29.44695 -0.002329 0.000606 0.000756 C 5.25288 4.91302 25.00131 0.00784 0.014148 0.000607 168 energy=-1497.81265513 config_type=nep2xyz pbc="T T T" virial="-19.182330218138752 -0.023013167018681637 -0.030627188820401583 -0.023013167018681637 -27.4269042410899 0.010907727862014532 -0.030627188820401583 0.010907727862014532 -3.9444910473247368" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.78069 0.004122 0.006934 -0.003714 B 2.965 0.89696 19.79149 -0.00166 0.005853 -0.001357 B 0.74125 4.74933 19.77026 0.004723 0.009462 -0.005904 B 2.965 3.46521 19.75691 0.004412 0.003793 -0.008252 B 0.74125 7.31758 19.79397 0.004905 -0.01267 -0.000422 B 2.965 6.03346 19.77898 -0.01035 0.001432 -0.003936 B 0.74125 9.88583 19.79119 -0.020058 -0.001641 -0.000713 B 2.965 8.60171 19.80355 -0.000312 0.003062 0.00339 B 0.74125 12.45408 19.7852 -0.021326 0.002434 -0.001888 B 2.965 11.16996 19.80213 0.001602 0.004416 0.002485 B 0.74125 15.02233 19.801 -0.005368 -0.00358 0.000448 B 2.965 13.73821 19.80281 0.001406 -0.014033 0.002648 B 5.18875 2.18108 19.79304 -0.004023 0.006732 -0.000546 B 7.4125 0.89696 19.80205 0.015048 -0.000386 0.001493 B 5.18875 4.74933 19.79162 -0.003692 -0.003813 -0.000682 B 7.4125 3.46521 19.79943 0.004125 0.002348 0.000701 B 5.18875 7.31758 19.80369 -0.000447 0.001057 0.003424 B 7.4125 6.03346 19.80336 0.012807 -0.001276 0.002383 B 5.18875 9.88583 19.79017 0.006402 0.013152 -0.000357 B 7.4125 8.60171 19.79098 0.018743 0.025136 -0.000307 B 5.18875 12.45408 19.77919 0.003367 -0.017817 -0.003464 B 7.4125 11.16996 19.76061 0.007333 -0.012099 -0.00774 B 5.18875 15.02233 19.79609 0.010564 -0.01457 0.000719 B 7.4125 13.73821 19.7756 0.015736 -0.009788 -0.004159 N 1.4825 0.89696 19.79544 0.007909 0.014749 -0.00146 N 3.70625 2.18108 19.77388 0.003586 0.001994 -0.005157 N 1.4825 3.46521 19.74669 -0.022446 -0.010621 -0.009446 N 3.70625 4.74933 19.76579 -0.000712 -0.024641 -0.006915 N 1.4825 6.03346 19.77382 0.006195 0.004807 -0.005383 N 3.70625 7.31758 19.79957 -0.006426 -0.016812 0.002105 N 1.4825 8.60171 19.80107 -0.002936 0.004436 0.002057 N 3.70625 9.88583 19.8032 0.008403 0.00071 0.003878 N 1.4825 11.16996 19.79763 -0.003692 0.001376 0.000477 N 3.70625 12.45408 19.7971 0.007188 0.003551 0.001671 N 1.4825 13.73821 19.80117 -0.007641 -0.004266 0.001787 N 3.70625 15.02233 19.80253 0.000327 0.011366 0.002341 N 5.93 0.89696 19.80252 -0.011305 0.002103 0.002187 N 8.15375 2.18108 19.79798 0.010831 0.001581 0.000383 N 5.93 3.46521 19.79823 -0.007996 -0.00161 0.000728 N 8.15375 4.74933 19.79503 0.017076 -0.006301 -0.000638 N 5.93 6.03346 19.80503 -0.013298 -0.006819 0.0038 N 8.15375 7.31758 19.80072 -0.002318 -0.001084 0.001813 N 5.93 8.60171 19.79867 -0.001082 0.005226 0.001858 N 8.15375 9.88583 19.77029 -0.004722 -0.013755 -0.004922 N 5.93 11.16996 19.76364 -0.016979 0.020673 -0.006709 N 8.15375 12.45408 19.75518 0.025697 0.015661 -0.007461 N 5.93 13.73821 19.778 0.000124 0.019888 -0.003642 N 8.15375 15.02233 19.79686 -0.011781 -0.014183 -0.000174 C 0.25986 13.96245 27.81569 -0.003212 0.001047 -0.000176 C 1.04453 12.85738 27.65851 0.005495 -0.002029 0.00157 C 5.96098 12.858 23.05102 0.021004 -0.021423 -0.000147 C 0.79597 11.6929 28.45764 0.000545 0.003084 0.00014 C 7.31761 12.41574 22.80038 -0.030401 -0.073249 8e-06 C 1.68237 12.48173 26.34453 0.006647 0.003208 -0.002005 C 0.59443 11.00341 23.98877 0.025828 -0.008947 0.000656 C 0.17342 14.1764 25.33796 -0.005185 0.011072 -0.001296 C 5.73629 13.96264 23.88517 -0.000409 0.033357 0.000892 C 8.14426 14.23679 24.21991 0.02586 0.010634 0.001158 C 5.96104 10.52794 23.05272 0.021223 0.010098 -6e-06 C 0.99072 13.10182 25.19793 0.002226 -0.011852 0.002464 C 8.39445 13.10596 23.37388 0.034531 0.02178 1e-06 C 4.75291 14.17639 27.3217 -0.000505 -0.006204 1e-06 C 3.93559 13.10177 27.46128 0.011729 -0.000366 -0.001022 C 8.39449 10.27999 23.37439 0.015569 0.008358 0.000263 C 5.67706 14.23671 28.44029 -0.013059 -0.005942 0.000526 C 3.24395 12.48169 26.31462 -0.004598 0.000363 0.002468 C 7.31763 10.97026 22.80011 -0.017461 0.046156 7.9e-05 C 0.59441 12.38252 23.98863 0.020972 0.008985 -0.000168 C 8.7983 14.8485 26.64128 0.00595 0.008112 0.000564 C 7.33653 15.05431 26.85019 -0.006239 -0.004095 0.009547 C 4.66648 13.96241 24.84361 -0.000429 0.010058 -0.000308 C 5.73637 9.42329 23.88581 -0.004192 -0.016046 0.001019 C 5.02315 14.84844 26.01803 -0.008485 0.005562 0.002018 C 6.85186 14.65599 24.46802 -0.017163 0.018966 0.002174 C 6.4849 15.05419 25.80886 0.00616 -0.00618 -0.008851 C 6.85195 8.72994 24.46861 -0.00179 -0.017778 0.000573 C 8.69294 11.69286 29.44686 0.002713 0.001543 0.000744 C 3.88172 12.85737 25.00061 -0.016562 -0.004073 0.000259 C 4.70766 1.7187 24.84377 0.002789 -0.007972 -4.4e-05 C 5.49249 2.82368 25.00075 0.015257 0.002297 0.001332 C 1.5139 2.82305 29.61024 0.006053 -0.009061 0.000674 C 5.24398 3.98817 24.20147 0.010639 -0.002565 0.000113 C 2.8705 3.26536 29.86909 0.018264 -0.000872 0.000532 C 6.13025 3.1993 26.31481 0.003631 -0.001123 -0.001947 C 5.0423 4.67765 28.67158 -0.000755 -0.002146 0.000932 C 4.62115 1.50467 27.32177 0.002471 0.004527 -0.000543 C 1.28913 1.71839 28.77445 0.008054 -0.000273 0.000231 C 3.69705 1.44427 28.44038 0.011241 0.00652 0.000775 C 1.51393 5.15314 29.61063 0.00516 0.00657 0.000731 C 5.43858 2.57919 27.46137 -0.011687 -0.000117 0.001872 C 3.94731 2.57512 29.28839 -2.9e-05 -5.6e-05 0.00047 C 0.30569 1.50468 25.33765 0.010237 -0.014716 0.003109 C 8.38345 2.57932 25.1978 -0.003844 0.013149 -0.002266 C 3.94733 5.40105 29.28877 0.004855 -0.001269 0.000648 C 1.22987 1.44437 24.21982 -0.021292 -0.02045 -0.000617 C 7.69182 3.19936 26.3444 -0.006537 -0.003869 0.004065 C 2.87052 4.71082 29.86934 0.017215 -0.000648 0.000599 C 5.0423 3.29851 28.67137 -0.000867 0.000274 0.000117 C 4.35094 0.83266 26.01808 0.007236 -0.007254 0.001471 C 2.88918 0.62691 25.80881 -0.008953 0.007548 -0.00452 C 0.21927 1.71864 27.81559 0.002879 8.7e-05 0.001379 C 1.2892 6.25788 28.775 0.007203 0.000763 0.000902 C 0.5758 0.83259 26.64122 -0.005743 -0.0053 -0.002046 C 2.40466 1.02498 28.19113 -0.002732 0.005036 -0.000711 C 2.03756 0.62677 26.85023 0.006252 0.00319 0.005558 C 2.40474 6.95126 28.19182 -0.001781 -0.003476 -0.000977 C 4.24592 3.9882 23.21351 0.020121 0.002968 0.000454 C 8.32964 2.82372 27.65843 -0.005221 0.000198 -0.000663 C 4.66654 9.42345 24.84426 -0.007724 -0.012073 -0.000795 C 3.88171 10.52843 25.00076 -0.011638 -0.000221 0.001922 C 7.8603 10.5278 29.61049 -0.004443 -0.00753 0.000521 C 4.13022 11.69292 24.20117 -0.013506 0.001171 -0.000702 C 6.5037 10.97011 29.86911 -0.018313 0.001523 0.000466 C 3.24395 10.90405 26.31478 -0.00406 0.00109 -0.002448 C 4.3319 12.3824 28.67121 0.000539 -0.001764 0.000856 C 4.75305 9.20942 27.322 -0.003015 0.005035 -0.002136 C 8.08507 9.42314 28.77475 -0.008255 -0.000815 0.000738 C 5.67715 9.14902 28.44058 -0.014728 0.007496 0.001568 C 7.86027 12.85789 29.61024 -0.006197 0.00908 0.00058 C 3.93562 10.28394 27.4614 0.012604 -0.000732 0.002775 C 5.42689 10.27987 29.28852 -0.004006 0.001093 0.00034 C 0.17351 9.20943 25.33826 0.00031 -0.009596 0.000584 C 0.99075 10.28407 25.19821 0.001177 0.007306 -0.000277 C 5.42687 13.1058 29.28826 -0.000436 -0.002101 0.000448 C 8.14433 9.14912 24.2203 0.02291 -0.024129 0.000639 C 1.68238 10.90411 26.34459 0.007386 -0.003285 0.002202 C 6.50368 12.41557 29.86895 -0.018917 0.00404 0.000354 C 4.3319 11.00326 28.67139 -0.000407 0.001299 -0.000259 C 5.02326 8.53741 26.01844 -0.009992 -0.009797 0.002527 C 6.48502 8.33166 25.80916 0.005345 0.003476 -0.002021 C 0.25993 9.42339 27.81595 -0.001766 0.000278 0.000601 C 8.085 13.96263 28.77451 -0.008816 0.000703 0.000588 C 8.79841 8.53734 26.64166 0.005889 -0.006177 7.6e-05 C 6.96954 8.72973 28.19152 0.0033 0.003222 -0.0005 C 7.33664 8.33152 26.85061 -0.006612 0.004979 0.003126 C 6.96946 14.65601 28.19119 0.001898 -0.004803 -0.002148 C 5.12828 11.69295 23.21283 -0.015318 -0.010073 0.000655 C 1.04456 10.52847 27.65862 0.005544 -0.001253 0.000204 C 0.21934 6.2577 27.81618 0.001145 0.001059 1.2e-05 C 8.32967 5.15263 27.6587 -0.004612 -1.9e-05 0.001997 C 3.41322 5.15325 23.05368 -0.038375 -0.021366 0.000115 C 8.57823 3.98815 28.45763 -0.000815 -0.000815 0.000573 C 2.05659 4.71099 22.80262 0.035785 -0.05376 8.6e-05 C 7.69183 4.77698 26.34479 -0.008151 0.00328 -0.003209 C 8.77977 3.29866 23.98864 -0.024756 0.000365 0.001322 C 0.30578 6.47165 25.33863 0.003979 0.011234 -0.001629 C 3.63791 6.25789 23.88629 0.003378 0.032894 0.000802 C 1.22994 6.53204 24.22087 -0.023812 0.032858 0.001578 C 3.41316 2.82319 23.05179 -0.009923 0.020518 7.7e-05 C 8.38348 5.39707 25.19834 -0.00494 -0.013237 0.00381 C 0.97975 5.40121 23.37498 -0.017814 -0.002464 0.000227 C 4.62129 6.47164 27.32234 0.00181 -0.004724 0.000811 C 5.43861 5.39702 27.46175 -0.011334 7.9e-05 -0.00085 C 0.97971 2.57524 23.37335 -0.046455 -0.030159 0.000336 C 3.69714 6.53196 28.44094 0.012339 -0.005895 0.000627 C 6.13025 4.77694 26.315 0.0037 -0.001959 0.002902 C 2.05657 3.26551 22.80105 0.03317 0.093476 -1e-05 C 8.77979 4.67777 23.98923 -0.036795 0.000515 -0.000485 C 0.5759 7.14375 26.64189 -0.007742 0.008203 0.001338 C 2.03767 7.34956 26.85092 0.005085 -0.00445 0.005899 C 4.70772 6.25766 24.84477 0.01605 0.004634 0.00045 C 3.63783 1.71854 23.88543 0.002372 -0.035441 0.000458 C 4.35105 7.14369 26.01883 0.009174 0.007928 0.0009 C 2.52234 6.95124 24.46892 0.003701 0.01891 0.001419 C 2.8893 7.34944 25.80959 -0.005405 -0.002925 -0.004509 C 2.52225 1.02519 24.46813 0.006069 -0.022645 0.00169 C 0.68126 3.98811 29.44688 -0.003003 -0.000299 0.000702 C 5.49248 5.15262 25.00125 0.008479 0.008435 -0.000121 168 energy=-1497.81314385 config_type=nep2xyz pbc="T T T" virial="-19.18870375324244 -0.0297716807527926 0.004619743565088507 -0.0297716807527926 -27.430796802797524 0.026649076306019814 0.004619743565088507 0.026649076306019814 -3.9616867594836775" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.78599 0.009036 0.016439 -0.002524 B 2.965 0.89696 19.79406 0.001634 0.013988 -0.000114 B 0.74125 4.74933 19.77219 0.011 0.00301 -0.005493 B 2.965 3.46521 19.76218 0.000846 0.009109 -0.00799 B 0.74125 7.31758 19.79279 0.009254 -0.01905 -0.000344 B 2.965 6.03346 19.77644 -0.008756 -0.005807 -0.004386 B 0.74125 9.88583 19.79224 -0.01382 -0.003779 -0.001106 B 2.965 8.60171 19.8031 -0.001477 -0.005886 0.003418 B 0.74125 12.45408 19.78097 -0.013661 0.003989 -0.003401 B 2.965 11.16996 19.80254 0.001422 0.003765 0.002436 B 0.74125 15.02233 19.80041 -0.003666 -0.001248 0.000349 B 2.965 13.73821 19.80244 9.3e-05 -0.008319 0.002499 B 5.18875 2.18108 19.79377 -0.007274 0.011215 0.000264 B 7.4125 0.89696 19.80154 0.012277 0.000383 0.001613 B 5.18875 4.74933 19.79027 -0.011828 -0.002713 -0.00062 B 7.4125 3.46521 19.8004 -0.000926 0.005171 0.001574 B 5.18875 7.31758 19.80296 -0.003237 -0.007967 0.003564 B 7.4125 6.03346 19.80291 0.007452 -0.004424 0.00274 B 5.18875 9.88583 19.79193 0.007114 0.007051 -0.000141 B 7.4125 8.60171 19.79299 0.01752 0.018655 1.7e-05 B 5.18875 12.45408 19.77864 -0.001504 -0.010929 -0.004304 B 7.4125 11.16996 19.75954 0.009088 -0.02094 -0.009071 B 5.18875 15.02233 19.79468 0.010093 -0.010361 0.000272 B 7.4125 13.73821 19.77028 0.015347 0.002465 -0.006317 N 1.4825 0.89696 19.79856 0.002976 0.007269 2.3e-05 N 3.70625 2.18108 19.77748 0.004446 -0.010181 -0.003701 N 1.4825 3.46521 19.75506 -0.029496 -0.005687 -0.008152 N 3.70625 4.74933 19.764 0.009987 -0.021068 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13.73821 19.77436 -0.003384 0.013429 -0.005167 N 8.15375 15.02233 19.79415 -0.014319 -0.021225 -0.00116 C 0.49946 14.20205 27.81573 -0.00327 0.001096 0.000566 C 1.28413 13.09698 27.65855 0.004919 -0.001998 0.000693 C 6.20058 13.0976 23.05202 0.021254 -0.02624 0.000297 C 1.03557 11.9325 28.4577 -0.000216 0.003999 0.000715 C 7.55721 12.65534 22.80111 -0.039212 -0.076128 5e-06 C 1.92197 12.72133 26.34455 0.006548 0.003401 0.000593 C 0.83403 11.24301 23.989 0.031217 -0.003423 0.000726 C 0.41302 14.416 25.33786 -0.009789 0.01299 0.00068 C 5.97589 14.20224 23.8856 -0.0023 0.039697 0.000228 C 8.38386 14.47639 24.21998 0.021901 0.019632 0.000305 C 6.20064 10.76754 23.05405 0.032327 0.026185 0.000257 C 1.23032 13.34142 25.1979 0.004805 -0.016946 0.000571 C 8.63405 13.34556 23.37357 0.044649 0.028406 0.000441 C 4.99251 14.41599 27.32194 -0.001036 -0.004398 0.000204 C 4.17519 13.34137 27.46152 0.012076 -0.000265 0.000697 C 8.63409 10.51959 23.3743 0.022416 0.002625 0.000475 C 5.91666 14.47631 28.44055 -0.013234 -0.005137 0.000586 C 3.48355 12.72129 26.31495 -0.006608 0.000614 0.000332 C 7.55723 11.20986 22.80098 -0.032913 0.040023 0.000142 C 0.83401 12.62212 23.98879 0.024037 0.000485 0.000496 C 0.1429 15.0881 26.64132 0.004811 0.006192 0.000459 C 7.57613 15.29391 26.85048 -0.008664 -0.0021 0.000257 C 4.90608 14.20201 24.84398 -0.00612 0.00607 0.000426 C 5.97597 9.66289 23.88632 -0.004754 -0.028426 0.000273 C 5.26275 15.08804 26.01826 -0.006908 0.0061 0.000777 C 7.09146 14.89559 24.46827 -0.008088 0.022342 0.000658 C 6.7245 15.29379 25.80897 0.009679 -0.005704 0.000596 C 7.09155 8.96954 24.46885 -0.000187 -0.020498 0.002149 C 0.03754 11.93246 29.44693 0.002767 0.001841 0.000693 C 4.12132 13.09697 25.00101 -0.015844 0.001373 0.000399 C 4.94726 1.9583 24.84348 -0.00036 -0.01096 0.001094 C 5.73209 3.06328 25.00043 0.015768 0.007381 -0.000525 C 1.7535 3.06265 29.61013 0.005738 -0.009423 0.00029 C 5.48358 4.22777 24.20105 0.011975 -0.000951 0.001331 C 3.1101 3.50496 29.8689 0.019861 -0.00302 0.000385 C 6.36985 3.4389 26.31453 0.003368 -0.00096 0.000726 C 5.2819 4.91725 28.67141 -5.7e-05 -0.001376 0.000469 C 4.86075 1.74427 27.32154 -0.000152 0.006289 0.001555 C 1.52873 1.95799 28.7743 0.008651 -0.000673 0.000427 C 3.93665 1.68387 28.44017 0.013243 0.006256 -0.000155 C 1.75353 5.39274 29.61048 0.004885 0.007204 0.000494 C 5.67818 2.81879 27.46115 -0.011819 0.000517 -0.000102 C 4.18691 2.81472 29.28817 0.001789 2.2e-05 0.000271 C 0.54529 1.74428 25.33759 0.004778 -0.010429 0.000491 C 8.62305 2.81892 25.19762 -0.000618 0.008825 0.000217 C 4.18693 5.64065 29.28861 0.006328 -0.003255 0.000411 C 1.46947 1.68397 24.21957 -0.024803 -0.008525 -2.2e-05 C 7.93142 3.43896 26.34429 -0.00688 -0.004262 0.000238 C 3.11012 4.95042 29.86916 0.017561 -0.000657 0.000501 C 5.2819 3.53811 28.67111 -0.000898 0.000426 0.000337 C 4.59054 1.07226 26.01793 0.005917 -0.007544 -0.001792 C 3.12878 0.86651 25.80849 -0.012027 0.005972 0.007145 C 0.45887 1.95824 27.81547 0.003697 -0.000605 0.000341 C 1.5288 6.49748 28.77484 0.007382 0.000646 0.000427 C 0.8154 1.07219 26.64105 -0.005127 -0.007498 0.001285 C 2.64426 1.26458 28.19096 -0.000982 0.005283 0.002278 C 2.27716 0.86637 26.85014 0.009774 0.003314 -0.006713 C 2.64434 7.19086 28.19164 -0.000969 -0.004582 0.002333 C 4.48552 4.2278 23.21247 0.022643 0.001946 -0.00022 C 8.56924 3.06332 27.65829 -0.006006 0.000507 0.000523 C 4.90614 9.66305 24.84479 -0.017773 -0.004765 0.000535 C 4.12131 10.76803 25.00131 -0.008624 -0.009684 0.000274 C 8.0999 10.7674 29.61064 -0.004193 -0.006876 0.000809 C 4.36982 11.93252 24.20172 -0.015673 0.003027 0.000647 C 6.7433 11.20971 29.86933 -0.017476 0.003024 0.000632 C 3.48355 11.14365 26.31508 -0.00642 0.0013 0.00084 C 4.5715 12.622 28.67146 -0.000791 -0.000732 0.000464 C 4.99265 9.44902 27.32224 -0.003162 0.004079 0.000624 C 8.32467 9.66274 28.77492 -0.007377 -0.001542 0.00048 C 5.91675 9.38862 28.44084 -0.014433 0.007492 0.000456 C 8.09987 13.09749 29.61035 -0.005505 0.009093 0.000612 C 4.17522 10.52354 27.46172 0.011217 -0.001392 0.000233 C 5.66649 10.51947 29.28875 -0.003904 0.001251 0.00068 C 0.41311 9.44903 25.33829 -0.002721 -0.012543 0.001832 C 1.23035 10.52367 25.19823 0.003174 0.013067 2.6e-05 C 5.66647 13.3454 29.28848 9.7e-05 0.00016 0.000511 C 8.38393 9.38872 24.2205 0.022308 -0.028873 -7.4e-05 C 1.92198 11.14371 26.34471 0.007271 -0.0037 0.000958 C 6.74328 12.65517 29.86918 -0.017411 0.002785 0.000635 C 4.5715 11.24286 28.67163 -0.000432 0.001593 0.000669 C 5.26286 8.77701 26.01875 -0.009692 -0.009557 0.001423 C 6.72462 8.57126 25.80943 0.004841 0.003404 -0.004389 C 0.49953 9.66299 27.81607 -0.00179 0.000585 0.000954 C 8.3246 14.20223 28.77461 -0.008242 -0.000164 0.000626 C 0.14301 8.77694 26.64175 0.005784 -0.00675 -0.000756 C 7.20914 8.96933 28.19172 0.003246 0.003087 -0.000295 C 7.57624 8.57112 26.85081 -0.004977 0.004729 0.00525 C 7.20906 14.89561 28.19132 0.003077 -0.005681 0.000616 C 5.36788 11.93255 23.2139 -0.014189 -0.008238 0.00025 C 1.28416 10.76807 27.6587 0.004487 -0.00137 0.000542 C 0.45894 6.4973 27.81601 0.000236 -0.000604 0.00069 C 8.56927 5.39223 27.65857 -0.006108 0.00027 0.000243 C 3.65282 5.39285 23.05324 -0.034608 -0.016463 0.000466 C 8.81783 4.22775 28.4575 -0.001126 -0.000711 0.000501 C 2.29619 4.95059 22.80135 0.02921 -0.050602 -2.2e-05 C 7.93143 5.01658 26.34455 -0.008812 0.002535 0.00127 C 0.12437 3.53826 23.98814 -0.019379 -0.013048 0.000344 C 0.54538 6.71125 25.33843 -0.000451 0.009483 0.001626 C 3.87751 6.49749 23.88605 0.005661 0.021929 -0.000452 C 1.46954 6.77164 24.22064 -0.022139 0.026466 -0.000399 C 3.65276 3.06279 23.0512 -0.011427 0.024089 0.000371 C 8.62308 5.63667 25.19821 -0.001359 -0.009938 -0.000678 C 1.21935 5.64081 23.37469 -0.014364 -0.006919 0.00059 C 4.86089 6.71124 27.32212 0.000414 -0.006851 0.001816 C 5.67821 5.63662 27.46151 -0.012777 -0.000212 -3.7e-05 C 1.21931 2.81484 23.3732 -0.039731 -0.02563 0.000354 C 3.93674 6.77156 28.44074 0.012791 -0.005977 -0.00014 C 6.36985 5.01654 26.31475 0.002357 -0.001771 0.000577 C 2.29617 3.50511 22.79919 0.025655 0.084551 -8e-05 C 0.12439 4.91737 23.98872 -0.029285 0.010679 0.000709 C 0.8155 7.38335 26.64176 -0.006746 0.007279 0.000768 C 2.27727 7.58916 26.85085 0.008007 -0.003647 -0.005435 C 4.94732 6.49726 24.84441 0.008968 0.012198 0.00128 C 3.87743 1.95814 23.8851 0.001806 -0.02844 -0.000492 C 4.59065 7.38329 26.01867 0.008933 0.0091 -0.001585 C 2.76194 7.19084 24.46879 0.000339 0.018273 -0.000407 C 3.1289 7.58904 25.80929 -0.008386 -0.001928 0.006178 C 2.76185 1.26479 24.46791 0.011113 -0.01924 -0.001033 C 0.92086 4.22771 29.44676 -0.003248 -0.000307 0.000499 C 5.73208 5.39222 25.00083 0.010522 -0.002322 -0.000443 168 energy=-1497.81535 config_type=nep2xyz pbc="T T T" virial="-19.153285719243428 -0.019633910151626157 0.018735626680636722 -0.019633910151626157 -27.375702083243503 0.024852509364040952 0.018735626680636722 0.024852509364040952 -4.01241838789289" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.79063 0.013224 0.021531 -0.000841 B 2.965 0.89696 19.7971 0.002651 0.018678 0.00104 B 0.74125 4.74933 19.77524 0.016264 -0.00035 -0.003905 B 2.965 3.46521 19.76704 -0.003875 0.011029 -0.005779 B 0.74125 7.31758 19.79299 0.01327 -0.022496 -2.5e-05 B 2.965 6.03346 19.77403 -0.008042 -0.010583 -0.004051 B 0.74125 9.88583 19.79384 -0.007707 -0.004371 -0.001146 B 2.965 8.60171 19.80238 -0.001467 -0.01287 0.002826 B 0.74125 12.45408 19.7765 -0.001744 0.003298 -0.004035 B 2.965 11.16996 19.8022 0.000242 0.002026 0.001716 B 0.74125 15.02233 19.79888 -0.001794 0.001169 -0.000102 B 2.965 13.73821 19.80197 -0.001389 -0.003321 0.00183 B 5.18875 2.18108 19.7952 -0.008282 0.015097 0.000885 B 7.4125 0.89696 19.80085 0.010427 4e-06 0.001275 B 5.18875 4.74933 19.78738 -0.019693 -0.000881 -0.00082 B 7.4125 3.46521 19.8009 -0.003985 0.007615 0.002145 B 5.18875 7.31758 19.80117 -0.005172 -0.014854 0.002626 B 7.4125 6.03346 19.80221 0.001375 -0.007418 0.002703 B 5.18875 9.88583 19.79324 0.007609 0.004724 0.000116 B 7.4125 8.60171 19.79573 0.014033 0.009887 0.000397 B 5.18875 12.45408 19.77894 -0.004969 -0.004496 -0.004239 B 7.4125 11.16996 19.75959 0.009922 -0.026022 -0.008144 B 5.18875 15.02233 19.7945 0.00901 -0.006725 0.000126 B 7.4125 13.73821 19.76603 0.012376 0.014984 -0.006797 N 1.4825 0.89696 19.80074 -0.001624 -0.001414 0.001144 N 3.70625 2.18108 19.78243 0.001166 -0.015879 -0.001918 N 1.4825 3.46521 19.76354 -0.025282 -0.001596 -0.005826 N 3.70625 4.74933 19.76064 0.028158 -0.010883 -0.005937 N 1.4825 6.03346 19.77014 -0.008224 0.007557 -0.004406 N 3.70625 7.31758 19.79444 -0.004194 -0.002505 0.000939 N 1.4825 8.60171 19.80136 -0.004442 0.010044 0.00178 N 3.70625 9.88583 19.80486 0.008946 0.007163 0.003575 N 1.4825 11.16996 19.79511 -0.014236 0.011975 -0.000917 N 3.70625 12.45408 19.79786 0.017616 0.000295 0.000657 N 1.4825 13.73821 19.79628 -0.013881 -0.01458 -9e-05 N 3.70625 15.02233 19.8035 0.00466 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1.07363 11.48261 23.98911 0.038508 0.008563 0.000475 C 0.65262 14.6556 25.33784 -0.012464 0.016447 -0.000372 C 6.21549 14.44184 23.88594 -0.003891 0.04524 0.000233 C 8.62346 14.71599 24.22005 0.019889 0.029794 0.000752 C 6.44024 11.00714 23.05434 0.036573 0.037949 0.000367 C 1.46992 13.58102 25.19787 0.00763 -0.020329 0.000718 C 8.87365 13.58516 23.3735 0.042372 0.030027 0.000359 C 5.23211 14.65559 27.32208 -0.001347 -0.003409 0.001154 C 4.41479 13.58097 27.46166 0.011793 0.001107 0.000416 C 8.87369 10.75919 23.37401 0.028367 -0.011176 0.000424 C 6.15626 14.71591 28.4407 -0.01319 -0.005282 0.000261 C 3.72315 12.96089 26.3151 -0.00733 0.002275 0.000584 C 7.79683 11.44946 22.80227 -0.043665 0.048355 3.9e-05 C 1.07361 12.86172 23.98898 0.03278 -0.011418 0.000432 C 0.3825 15.3277 26.64134 0.004458 0.005254 0.001939 C 7.81573 0.12401 26.85063 -0.010902 -0.001651 -0.005672 C 5.14568 14.44161 24.8443 -0.011297 0.003251 0.000654 C 6.21557 9.90249 23.88637 -0.00478 -0.043074 0.000313 C 5.50235 15.32764 26.01844 -0.005997 0.006811 -0.000982 C 7.33106 15.13519 24.46842 -0.003391 0.025291 -0.001203 C 6.9641 0.12389 25.80899 0.011697 -0.006159 0.00663 C 7.33115 9.20914 24.46872 -0.000787 -0.023309 -0.001077 C 0.27714 12.17206 29.4469 0.002923 0.001373 0.00073 C 4.36092 13.33657 25.00125 -0.013875 0.005887 0.000331 C 5.18686 2.1979 24.84332 -0.001019 -0.013488 -9.6e-05 C 5.97169 3.30288 25.00015 0.01705 0.0099 0.000446 C 1.9931 3.30225 29.61016 0.005929 -0.009171 0.000297 C 5.72318 4.46737 24.20067 0.015019 0.001265 -0.000149 C 3.3497 3.74456 29.86876 0.019296 -0.002368 0.000227 C 6.60945 3.6785 26.31432 0.00336 -0.000242 2.8e-05 C 5.5215 5.15685 28.67111 4.9e-05 -0.001403 0.00025 C 5.10035 1.98387 27.32142 -0.000122 0.006833 2e-05 C 1.76833 2.19759 28.77434 0.010096 -0.002072 0.000223 C 4.17625 1.92347 28.44004 0.01159 0.006757 0.000234 C 1.99313 5.63234 29.61035 0.005496 0.008375 0.000353 C 5.91778 3.05839 27.46097 -0.012792 0.000794 0.000312 C 4.42651 3.05432 29.28804 0.002282 0.001786 0.000212 C 0.78489 1.98388 25.33777 -0.001241 -0.007244 4.8e-05 C 8.86265 3.05852 25.19774 0.00211 0.005612 0.000334 C 4.42653 5.88025 29.28829 0.0057 -0.003358 0.000263 C 1.70907 1.92357 24.2196 -0.026544 -0.005008 0.000333 C 8.17102 3.67856 26.3443 -0.008336 -0.003259 0.000317 C 3.34972 5.19002 29.86892 0.017842 0.001255 0.000282 C 5.5215 3.77771 28.67097 -0.000626 0.000143 0.000164 C 4.83014 1.31186 26.0178 0.007244 -0.006746 0.000525 C 3.36838 1.10611 25.80851 -0.00808 0.004858 0.000407 C 0.69847 2.19784 27.81552 0.002978 -0.000485 0.000354 C 1.7684 6.73708 28.77469 0.008822 0.000821 0.000353 C 1.055 1.31179 26.64115 -0.006104 -0.007964 0.000193 C 2.88386 1.50418 28.19097 -0.002224 0.004435 0.000261 C 2.51676 1.10597 26.85004 0.008519 0.004964 0.000105 C 2.88394 7.43046 28.19143 -0.001873 -0.00391 0.000601 C 4.72512 4.4674 23.21167 0.018163 -0.000183 0.000295 C 8.80884 3.30292 27.65832 -0.006471 -0.000139 0.000227 C 5.14574 9.90265 24.84482 -0.022108 -7.6e-05 0.000668 C 4.36091 11.00763 25.00147 -0.008394 -0.015235 0.000394 C 8.3395 11.007 29.61057 -0.00486 -0.007227 0.000569 C 4.60942 12.17212 24.20199 -0.01909 0.003728 0.000595 C 6.9829 11.44931 29.86938 -0.017111 0.003111 0.000627 C 3.72315 11.38325 26.3152 -0.006646 0.000435 0.000574 C 4.8111 12.8616 28.67156 -4.4e-05 -0.000734 0.000543 C 5.23225 9.68862 27.32226 -0.001814 0.002334 0.001151 C 8.56427 9.90234 28.77482 -0.007506 -0.001759 0.000787 C 6.15635 9.62822 28.44084 -0.012239 0.006896 0.000378 C 8.33947 13.33709 29.61038 -0.005668 0.009 0.000504 C 4.41482 10.76314 27.46179 0.010587 -0.001263 0.000489 C 5.90609 10.75907 29.28876 -0.003189 -0.000357 0.000541 C 0.65271 9.68863 25.33811 -0.00882 -0.015948 -0.000281 C 1.46995 10.76327 25.19809 0.005285 0.017485 0.000752 C 5.90607 13.585 29.28859 -0.000667 0.000389 0.000492 C 8.62353 9.62832 24.22037 0.023493 -0.032558 0.000815 C 2.16158 11.38331 26.34466 0.006542 -0.003754 0.0005 C 6.98288 12.89477 29.86928 -0.016784 0.001007 0.000584 C 4.8111 11.48246 28.67167 -0.000144 0.001589 0.000597 C 5.50246 9.01661 26.01871 -0.00714 -0.008651 -0.000785 C 6.96422 8.81086 25.8092 0.009285 0.004012 0.006709 C 0.73913 9.90259 27.81596 -0.001824 -0.00054 0.00035 C 8.5642 14.44183 28.77465 -0.007814 -0.000378 0.000728 C 0.38261 9.01654 26.64158 0.006601 -0.006435 0.001962 C 7.44874 9.20893 28.19155 0.002449 0.004747 0.00219 C 7.81584 8.81072 26.8508 -0.009646 0.003357 -0.005625 C 7.44866 15.13521 28.19134 0.002225 -0.006031 0.002112 C 5.60748 12.17215 23.21459 -0.007449 -0.004414 0.000299 C 1.52376 11.00767 27.65862 0.004059 -0.000495 0.000777 C 0.69854 6.7369 27.81588 0.000809 0.000274 0.000376 C 8.80887 5.63183 27.65854 -0.006884 -0.000111 0.000341 C 3.89242 5.63245 23.05236 -0.029392 -0.015993 5.5e-05 C 0.16243 4.46735 28.45749 -0.000604 -0.000792 0.000428 C 2.53579 5.19019 22.80024 0.017936 -0.048583 -5.5e-05 C 8.17103 5.25618 26.34448 -0.009031 0.00281 0.000164 C 0.36397 3.77786 23.98812 -0.021239 -0.015137 0.000209 C 0.78498 6.95085 25.3383 -0.003694 0.006661 -0.000156 C 4.11711 6.73709 23.88559 0.004413 0.019438 0.000361 C 1.70914 7.01124 24.2203 -0.02113 0.020893 0.000509 C 3.89236 3.30239 23.05108 -0.019028 0.02689 1.2e-05 C 8.86268 5.87627 25.19811 0.000174 -0.006307 0.000536 C 1.45895 5.88041 23.37441 -0.009008 -0.004782 0.000133 C 5.10049 6.95084 27.32181 -0.000123 -0.006911 0.000302 C 5.91781 5.87622 27.46118 -0.012994 -0.00105 0.00019 C 1.45891 3.05444 23.37353 -0.02154 -0.015361 6.8e-05 C 4.17634 7.01116 28.44043 0.012918 -0.006337 0.000221 C 6.60945 5.25614 26.31445 0.002278 0.000194 0.000223 C 2.53577 3.74471 22.79853 0.016719 0.064716 -5.7e-05 C 0.36399 5.15697 23.98852 -0.026223 0.010777 0.000197 C 1.0551 7.62295 26.64156 -0.005962 0.006738 0.000623 C 2.51687 7.82876 26.85057 0.00745 -0.004602 -0.00087 C 5.18692 6.73686 24.8439 0.00134 0.017121 1.9e-05 C 4.11703 2.19774 23.88494 0.001545 -0.025632 0.000362 C 4.83025 7.62289 26.01832 0.008474 0.008319 0.000292 C 3.00154 7.43044 24.46847 0.003367 0.017561 -0.000154 C 3.3685 7.82864 25.80906 -0.007317 -0.002907 0.001472 C 3.00145 1.50439 24.46787 0.01333 -0.017957 -3.9e-05 C 1.16046 4.46731 29.44673 -0.003956 -0.000337 0.000292 C 5.97168 5.63182 25.00035 0.015483 -0.011377 0.00039 168 energy=-1497.81714703 config_type=nep2xyz pbc="T T T" virial="-19.100158668244912 -0.0022243209757833553 0.029087274298705414 -0.0022243209757833553 -27.30123010595814 0.01146380810596037 0.029087274298705414 0.01146380810596037 -4.066657599379299" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.79432 0.016164 0.022552 0.000434 B 2.965 0.89696 19.80005 0.000307 0.017159 0.001788 B 0.74125 4.74933 19.77953 0.019404 -0.000341 -0.002536 B 2.965 3.46521 19.77049 -0.009277 0.007407 -0.004483 B 0.74125 7.31758 19.79458 0.01663 -0.021754 0.00051 B 2.965 6.03346 19.77151 -0.009358 -0.007672 -0.004087 B 0.74125 9.88583 19.79541 -0.001636 -0.002291 -0.000782 B 2.965 8.60171 19.80091 -0.000716 -0.016472 0.002015 B 0.74125 12.45408 19.77263 0.010399 0.000721 -0.00428 B 2.965 11.16996 19.80132 -0.002884 0.000745 0.001315 B 0.74125 15.02233 19.79632 -0.0002 0.002212 -0.000541 B 2.965 13.73821 19.8013 -0.003494 -0.000964 0.001347 B 5.18875 2.18108 19.79647 -0.006745 0.016233 0.001058 B 7.4125 0.89696 19.79965 0.010026 -0.002697 0.001145 B 5.18875 4.74933 19.78215 -0.021259 -1.1e-05 -0.001622 B 7.4125 3.46521 19.8008 -0.003962 0.008377 0.002113 B 5.18875 7.31758 19.79759 -0.00553 -0.016397 0.001275 B 7.4125 6.03346 19.80101 -0.003415 -0.008572 0.002238 B 5.18875 9.88583 19.79501 0.007782 0.005715 0.000353 B 7.4125 8.60171 19.7988 0.010537 0.0031 0.000936 B 5.18875 12.45408 19.7812 -0.00613 -0.0006 -0.003738 B 7.4125 11.16996 19.76243 0.008693 -0.022902 -0.006934 B 5.18875 15.02233 19.79531 0.008168 -0.005443 0.000253 B 7.4125 13.73821 19.76357 0.00876 0.021428 -0.006689 N 1.4825 0.89696 19.80192 -0.004057 -0.007447 0.001756 N 3.70625 2.18108 19.78765 -0.002247 -0.008835 -0.000741 N 1.4825 3.46521 19.77139 -0.015336 -0.000153 -0.003516 N 3.70625 4.74933 19.75552 0.045419 -0.000999 -0.005505 N 1.4825 6.03346 19.77222 -0.012745 0.001908 -0.003395 N 3.70625 7.31758 19.7897 -0.002089 0.005043 -0.00034 N 1.4825 8.60171 19.80196 -0.0044 0.008647 0.001755 N 3.70625 9.88583 19.80472 0.006286 0.006271 0.003034 N 1.4825 11.16996 19.79248 -0.013904 0.017135 -0.001114 N 3.70625 12.45408 19.79841 0.019305 0.000579 0.000466 N 1.4825 13.73821 19.79279 -0.014123 -0.018178 -0.001047 N 3.70625 15.02233 19.8045 0.005899 -0.005546 0.002966 N 5.93 0.89696 19.80219 -0.005249 -0.007716 0.002014 N 8.15375 2.18108 19.80333 -0.00046 -0.005529 0.002618 N 5.93 3.46521 19.79422 -0.001295 -0.010515 0.000866 N 8.15375 4.74933 19.79781 0.003466 0.000489 0.001223 N 5.93 6.03346 19.795 -0.002787 0.008945 0.001101 N 8.15375 7.31758 19.80319 -0.000822 0.005643 0.002704 N 5.93 8.60171 19.80216 -0.004767 0.008623 0.002119 N 8.15375 9.88583 19.78435 -0.01229 0.013215 -0.002928 N 5.93 11.16996 19.7726 -0.003406 0.001725 -0.004802 N 8.15375 12.45408 19.7381 0.009811 0.001884 -0.008462 N 5.93 13.73821 19.77351 -0.003634 2e-06 -0.004768 N 8.15375 15.02233 19.78643 -0.011967 -0.017058 -0.002592 C 0.97866 14.68125 27.81576 -0.002213 0.000448 0.000498 C 1.76333 13.57618 27.65848 0.004709 -0.000542 0.000522 C 6.67978 13.5768 23.0534 0.025069 -0.035435 7.9e-05 C 1.51477 12.4117 28.45754 -0.000408 0.001394 0.00049 C 8.03641 13.13454 22.80312 -0.042894 -0.066324 -9.1e-05 C 2.40117 13.20053 26.34449 0.006264 0.003863 0.000451 C 1.31323 11.72221 23.98903 0.0424 0.019342 0.000353 C 0.89222 14.8952 25.33787 -0.010362 0.017201 0.000496 C 6.45509 14.68144 23.88603 -0.004019 0.04886 0.000519 C 8.86306 14.95559 24.22011 0.019662 0.03331 0.000323 C 6.67984 11.24674 23.05361 0.027137 0.037259 0.000144 C 1.70952 13.82062 25.19785 0.006552 -0.019764 0.000499 C 0.21825 13.82476 23.3736 0.032874 0.028001 0.000273 C 5.47171 14.89519 27.32212 -0.002002 -0.003008 -0.000598 C 4.65439 13.82057 27.46163 0.011951 0.001543 0.000797 C 0.21829 10.99879 23.37367 0.030799 -0.025761 0.00029 C 6.39586 14.95551 28.44071 -0.012885 -0.006813 0.000805 C 3.96275 13.20049 26.31503 -0.00536 0.000888 0.000199 C 8.03643 11.68906 22.80314 -0.042946 0.06376 -7.3e-05 C 1.31321 13.10132 23.98902 0.04159 -0.019559 0.000344 C 0.6221 0.1578 26.64138 0.006466 0.005984 2.1e-05 C 8.05533 0.36361 26.85052 -0.008471 -0.003223 0.004066 C 5.38528 14.68121 24.84443 -0.015632 0.002938 -0.00011 C 6.45517 10.14209 23.88608 -0.003953 -0.049303 0.000451 C 5.74195 0.15774 26.01846 -0.006099 0.006845 0.001858 C 7.57066 15.37479 24.46839 -0.004506 0.028095 0.001444 C 7.2037 0.36349 25.8091 0.010285 -0.00657 -0.003577 C 7.57075 9.44874 24.46836 -0.004704 -0.027862 0.001266 C 0.51674 12.41166 29.44679 0.003493 0.000769 0.000547 C 4.60052 13.57617 25.00122 -0.011287 0.010393 0.000708 C 5.42646 2.4375 24.84337 0.000248 -0.016491 0.000789 C 6.21129 3.54248 25.00008 0.01676 0.010848 -0.000424 C 2.2327 3.54185 29.6102 0.004815 -0.008958 0.000243 C 5.96278 4.70697 24.20052 0.023093 0.000756 0.000909 C 3.5893 3.98416 29.86874 0.019487 -0.000513 0.000214 C 6.84905 3.9181 26.31423 0.00388 -4.5e-05 0.000367 C 5.7611 5.39645 28.67099 -0.000298 -0.001264 0.000209 C 5.33995 2.22347 27.3214 0.000189 0.006824 0.00099 C 2.00793 2.43719 28.77439 0.009303 -0.002522 0.00014 C 4.41585 2.16307 28.44006 0.013744 0.006873 -0.000104 C 2.23273 5.87194 29.61025 0.004618 0.0088 0.000278 C 6.15738 3.29799 27.46091 -0.013047 0.000467 -0.000105 C 4.66611 3.29392 29.28803 0.003531 0.002384 0.000166 C 1.02449 2.22348 25.33793 -0.004663 -0.006904 0.001408 C 0.20725 3.29812 25.19796 0.001793 0.004925 -0.000531 C 4.66613 6.11985 29.28814 0.004128 -0.001912 0.000215 C 1.94867 2.16317 24.21979 -0.0245 -0.013034 -0.000512 C 8.41062 3.91816 26.34438 -0.008135 -0.003361 0.000648 C 3.58932 5.42962 29.8688 0.018041 0.001984 0.000218 C 5.7611 4.01731 28.67092 -0.000464 0.001342 0.000196 C 5.06974 1.55146 26.01787 0.008037 -0.007135 -0.000969 C 3.60798 1.34571 25.80856 -0.007888 0.004552 0.00183 C 0.93807 2.43744 27.81559 0.002395 1.6e-05 0.000541 C 2.008 6.97668 28.77456 0.008543 0.000486 0.000121 C 1.2946 1.55139 26.64124 -0.005616 -0.008351 -0.00032 C 3.12346 1.74378 28.19102 -0.002824 0.004923 0.000803 C 2.75636 1.34557 26.85012 0.009245 0.004514 -0.001454 C 3.12354 7.67006 28.19125 -0.003226 -0.004351 0.000572 C 4.96472 4.707 23.21162 0.007525 0.000947 -0.000196 C 0.15344 3.54252 27.65842 -0.007307 -0.000803 -4.4e-05 C 5.38534 10.14225 24.84447 -0.017264 -0.001536 -3.8e-05 C 4.60051 11.24723 25.00121 -0.010413 -0.013335 0.000713 C 8.5791 11.2466 29.61039 -0.005415 -0.00773 0.00057 C 4.84902 12.41172 24.20184 -0.022735 0.000955 -1.3e-05 C 7.2225 11.68891 29.86927 -0.016887 0.002033 0.000544 C 3.96275 11.62285 26.31501 -0.005413 -0.000416 0.000223 C 5.0507 13.1012 28.67151 0.000967 -0.001549 0.000376 C 5.47185 9.92822 27.32207 -0.001231 0.00235 -0.000496 C 8.80387 10.14194 28.77462 -0.008238 -0.000833 0.000513 C 6.39595 9.86782 28.44066 -0.013759 0.00722 0.000794 C 8.57907 13.57669 29.61034 -0.006199 0.008508 0.000556 C 4.65442 11.00274 27.4616 0.010556 -0.001095 0.000735 C 6.14569 10.99867 29.28857 -0.002463 -0.00086 0.000474 C 0.89231 9.92823 25.33786 -0.01006 -0.018029 0.0004 C 1.70955 11.00287 25.19786 0.006133 0.017758 0.000595 C 6.14567 13.8246 29.28858 -0.001717 0.000341 0.000467 C 8.86313 9.86792 24.2201 0.020844 -0.033745 0.000382 C 2.40118 11.62291 26.34449 0.00651 -0.004166 0.000442 C 7.22248 13.13437 29.86927 -0.016511 -0.001411 0.000473 C 5.0507 11.72206 28.6715 0.000277 0.001446 0.00043 C 5.74206 9.25621 26.01844 -0.006304 -0.007419 0.001718 C 7.20382 9.05046 25.80904 0.009234 0.007076 -0.002931 C 0.97873 10.14219 27.81577 -0.002217 -0.000401 0.000421 C 8.8038 14.68143 28.77464 -0.007629 0.000552 0.000516 C 0.62221 9.25614 26.64139 0.005644 -0.006764 0.000176 C 7.68834 9.44853 28.19136 0.00266 0.004992 -0.000499 C 8.05544 9.05032 26.85048 -0.008017 0.003753 0.003798 C 7.68826 15.37481 28.19138 0.001681 -0.005197 -0.000471 C 5.84708 12.41175 23.21463 -0.000512 0.000144 0.000398 C 1.76336 11.24727 27.65845 0.004549 -0.000806 0.000542 C 0.93814 6.9765 27.81576 0.001226 0.000635 0.000568 C 0.15347 5.87143 27.6585 -0.007537 -0.00082 -2.4e-05 C 4.13202 5.87205 23.05166 -0.026639 -0.021609 0.000214 C 0.40203 4.70695 28.45751 -0.001354 0.00082 0.000529 C 2.77539 5.42979 22.79975 0.011286 -0.048226 -5e-05 C 8.41063 5.49578 26.34442 -0.008367 0.003102 0.000611 C 0.60357 4.01746 23.98843 -0.028276 -0.006457 0.000344 C 1.02458 7.19045 25.33812 -0.004222 0.006904 0.001513 C 4.35671 6.97669 23.88524 0.00262 0.023682 -0.000392 C 1.94874 7.25084 24.22002 -0.022509 0.016573 -0.000554 C 4.13196 3.54199 23.05144 -0.02496 0.024493 0.000209 C 0.20728 6.11587 25.19805 0.001721 -0.005729 -0.000538 C 1.69855 6.12001 23.37412 -0.00488 0.003225 0.000246 C 5.34009 7.19044 27.3216 -0.000621 -0.007302 0.000856 C 6.15741 6.11582 27.46102 -0.013857 -0.001016 -9.8e-05 C 1.69851 3.29404 23.37394 -0.005848 -0.00545 0.000242 C 4.41594 7.25076 28.44027 0.013664 -0.00574 -7.9e-05 C 6.84905 5.49574 26.31428 0.003679 0.000379 0.000412 C 2.77537 3.98431 22.79943 0.01088 0.049187 -5.1e-05 C 0.60359 5.39657 23.98849 -0.028987 0.004507 0.000359 C 1.2947 7.86255 26.64142 -0.005958 0.008279 -0.000512 C 2.75647 8.06836 26.85037 0.009206 -0.004437 -0.000426 C 5.42652 6.97646 24.84355 -0.000545 0.017026 0.000781 C 4.35663 2.43734 23.88505 0.002579 -0.024651 -0.000378 C 5.06985 7.86249 26.01808 0.007551 0.006971 -0.000528 C 3.24114 7.67004 24.46816 0.008645 0.019926 0.000529 C 3.6081 8.06824 25.80885 -0.00767 -0.004013 0.000747 C 3.24105 1.74399 24.46791 0.010534 -0.020043 0.000216 C 1.40006 4.70691 29.44674 -0.003443 0.000376 0.000191 C 6.21128 5.87142 25.00014 0.016227 -0.011819 -0.000434 168 energy=-1497.81759822 config_type=nep2xyz pbc="T T T" virial="-19.057853794301646 0.010223321407927345 0.008768957692992074 0.010223321407927345 -27.24121621501537 0.007015166154393659 0.008768957692992074 0.007015166154393659 -4.074485498197922" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.79713 0.017172 0.018563 0.001419 B 2.965 0.89696 19.8024 -0.004495 0.00991 0.002963 B 0.74125 4.74933 19.78505 0.01968 0.001137 -0.001764 B 2.965 3.46521 19.7732 -0.013649 0.001479 -0.004429 B 0.74125 7.31758 19.79716 0.018321 -0.017759 0.001351 B 2.965 6.03346 19.76922 -0.012942 0.001684 -0.005595 B 0.74125 9.88583 19.79665 0.004467 0.002886 -2.6e-05 B 2.965 8.60171 19.7985 3.7e-05 -0.01737 0.001765 B 0.74125 12.45408 19.77048 0.019346 -0.002482 -0.005065 B 2.965 11.16996 19.80016 -0.00837 0.000673 0.0017 B 0.74125 15.02233 19.79287 0.001347 0.000964 -0.001175 B 2.965 13.73821 19.80041 -0.006763 -0.001243 0.001683 B 5.18875 2.18108 19.79718 -0.004071 0.014167 0.001139 B 7.4125 0.89696 19.79759 0.010225 -0.007224 0.001023 B 5.18875 4.74933 19.77554 -0.014623 -0.001195 -0.003511 B 7.4125 3.46521 19.80015 -0.001839 0.007327 0.002162 B 5.18875 7.31758 19.79232 -0.004857 -0.011741 -0.000166 B 7.4125 6.03346 19.79931 -0.005471 -0.007753 0.001999 B 5.18875 9.88583 19.79718 0.005828 0.007579 0.000961 B 7.4125 8.60171 19.80154 0.007286 -1e-05 0.001964 B 5.18875 12.45408 19.7853 -0.004923 0.001417 -0.002904 B 7.4125 11.16996 19.76821 0.005163 -0.012922 -0.006288 B 5.18875 15.02233 19.79643 0.006969 -0.006516 0.001032 B 7.4125 13.73821 19.76287 0.004914 0.019282 -0.007172 N 1.4825 0.89696 19.80205 -0.005188 -0.010222 0.00255 N 3.70625 2.18108 19.79259 -0.002209 0.004661 -0.00014 N 1.4825 3.46521 19.77894 -0.004173 -0.002297 -0.002887 N 3.70625 4.74933 19.75013 0.050888 0.000954 -0.007975 N 1.4825 6.03346 19.7771 -0.009938 -0.005982 -0.003401 N 3.70625 7.31758 19.78324 -0.000967 0.01126 -0.002283 N 1.4825 8.60171 19.8022 -0.003409 0.004823 0.002609 N 3.70625 9.88583 19.80401 0.003887 0.00269 0.003434 N 1.4825 11.16996 19.78959 -0.01027 0.016993 -0.001319 N 3.70625 12.45408 19.79924 0.018341 0.001289 0.001422 N 1.4825 13.73821 19.78902 -0.012968 -0.019 -0.002206 N 3.70625 15.02233 19.80516 0.005863 -0.004733 0.004235 N 5.93 0.89696 19.80205 -0.003014 -0.005481 0.002475 N 8.15375 2.18108 19.80354 -0.00527 -0.004732 0.003301 N 5.93 3.46521 19.79121 -0.005209 -0.005834 -9.4e-05 N 8.15375 4.74933 19.79895 -0.001746 0.001436 0.001616 N 5.93 6.03346 19.7879 -0.001876 0.008493 -0.000928 N 8.15375 7.31758 19.80451 -0.002991 0.003949 0.003912 N 5.93 8.60171 19.80192 -0.005596 0.000581 0.002442 N 8.15375 9.88583 19.79084 -0.009059 0.017829 -0.001892 N 5.93 11.16996 19.77952 -0.002075 -0.003233 -0.004257 N 8.15375 12.45408 19.73972 -0.010391 -0.00528 -0.009851 N 5.93 13.73821 19.77621 9e-06 -0.0022 -0.004949 N 8.15375 15.02233 19.78121 -0.007641 -0.005194 -0.003836 C 1.21826 14.92085 27.81573 -0.001731 0.000278 0.000479 C 2.00293 13.81578 27.65837 0.004567 0.00026 0.000894 C 6.91938 13.8164 23.05333 0.027927 -0.038712 0.000112 C 1.75437 12.6513 28.4574 0.000343 0.000676 0.000806 C 8.27601 13.37414 22.80329 -0.039427 -0.060394 -0.000107 C 2.64077 13.44013 26.34441 0.006491 0.003416 -0.001313 C 1.55283 11.96181 23.98872 0.042287 0.02157 0.000893 C 1.13182 15.1348 25.33801 -0.006914 0.015494 0.000207 C 6.69469 14.92104 23.88593 -0.002053 0.047982 0.000131 C 0.20766 15.19519 24.22024 0.020815 0.030584 0.000357 C 6.91944 11.48634 23.05251 0.012453 0.026565 7.2e-05 C 1.94912 14.06022 25.19783 0.003738 -0.017278 0.001637 C 0.45785 14.06436 23.37387 0.023066 0.023759 0.000229 C 5.71131 15.13479 27.32201 -0.001306 -0.004323 0.001261 C 4.89399 14.06017 27.46149 0.011159 0.001704 -0.000826 C 0.45789 11.23839 23.37331 0.031216 -0.030571 0.000251 C 6.63546 15.19511 28.44064 -0.012169 -0.00579 8.5e-05 C 4.20235 13.44009 26.31479 -0.005118 0.000251 0.001959 C 8.27603 11.92866 22.80306 -0.033052 0.077641 -0.000157 C 1.55281 13.34092 23.98887 0.047359 -0.019559 -0.000109 C 0.8617 0.3974 26.64141 0.006975 0.008655 -0.000171 C 8.29493 0.60321 26.85048 -0.007651 -0.004592 0.004655 C 5.62488 14.92081 24.84434 -0.016346 0.00508 0.000795 C 6.69477 10.38169 23.8856 -0.003871 -0.042205 3.8e-05 C 5.98155 0.39734 26.01845 -0.007133 0.006378 -6.7e-05 C 7.81026 0.20489 24.46833 -0.008222 0.027108 0.00139 C 7.4433 0.60309 25.80909 0.009189 -0.005834 -0.003489 C 7.81035 9.68834 24.46799 -0.003179 -0.0302 0.002219 C 0.75634 12.65126 29.44666 0.002951 0.001038 0.000458 C 4.84012 13.81577 25.00103 -0.008537 0.012591 -0.000474 C 5.66606 2.6771 24.84367 0.000999 -0.01793 -0.000834 C 6.45089 3.78208 25.00027 0.015932 0.009621 0.001308 C 2.4723 3.78145 29.61021 0.0051 -0.007824 0.000333 C 6.20238 4.94657 24.20086 0.028104 -0.002283 -0.000804 C 3.8289 4.22376 29.86886 0.019801 0.001149 0.000244 C 7.08865 4.1577 26.31441 0.004105 0.000253 -0.001428 C 6.0007 5.63605 28.67099 -0.000243 -0.001011 0.000379 C 5.57955 2.46307 27.32161 2.8e-05 0.004909 -0.001732 C 2.24753 2.67679 28.77444 0.008548 -0.001803 0.000454 C 4.65545 2.40267 28.44024 0.014342 0.007091 0.001049 C 2.47233 6.11154 29.6101 0.005453 0.009648 0.000349 C 6.39698 3.53759 27.46103 -0.013137 -0.000644 0.001589 C 4.90571 3.53352 29.28818 0.002492 0.001782 0.000201 C 1.26409 2.46308 25.33792 -0.000947 -0.010249 9e-06 C 0.44685 3.53772 25.19788 -0.001958 0.008073 -0.000165 C 4.90573 6.35945 29.28809 0.002543 -0.001224 0.000238 C 2.18827 2.40277 24.21989 -0.017342 -0.027114 0.000508 C 8.65022 4.15776 26.34433 -0.007508 -0.00389 0.001473 C 3.82892 5.66922 29.8688 0.019097 0.001233 0.000208 C 6.0007 4.25691 28.67104 8.9e-05 0.00212 -0.00012 C 5.30934 1.79106 26.01803 0.008909 -0.007573 0.002372 C 3.84758 1.58531 25.80877 -0.007791 0.006139 -0.003799 C 1.17767 2.67704 27.81564 0.002523 -0.00018 0.000183 C 2.2476 7.21628 28.77437 0.008444 0.000565 0.000602 C 1.5342 1.79099 26.6413 -0.005633 -0.006332 8.4e-05 C 3.36306 1.98338 28.19114 -0.003762 0.004468 -0.000998 C 2.99596 1.58517 26.85022 0.007579 0.004272 0.004288 C 3.36314 7.90966 28.19106 -0.002766 -0.004232 -0.001785 C 5.20432 4.9466 23.21244 -0.004999 0.00205 0.000501 C 0.39304 3.78212 27.65839 -0.006545 -0.001318 0.000182 C 5.62494 10.38185 24.84385 -0.0083 -0.009138 0.000528 C 4.84011 11.48683 25.00075 -0.012655 -0.004121 0.000301 C 8.8187 11.4862 29.61012 -0.006784 -0.008026 0.000646 C 5.08862 12.65132 24.2015 -0.027603 -0.00241 0.000716 C 7.4621 11.92851 29.86899 -0.01976 0.000907 0.00046 C 4.20235 11.86245 26.31469 -0.00461 -0.001441 -0.000557 C 5.2903 13.3408 28.67134 -0.000267 -0.002433 0.000698 C 5.71145 10.16782 27.32168 -0.002379 0.003732 0.000552 C 0.14847 10.38154 28.77436 -0.008504 -0.001332 9.6e-05 C 6.63555 10.10742 28.44031 -0.012698 0.006739 0.000234 C 8.81867 13.81629 29.61028 -0.006019 0.007757 0.000591 C 4.89402 11.24234 27.46126 0.011222 -0.000866 0.000685 C 6.38529 11.23827 29.28823 -0.001923 -0.001609 0.000467 C 1.13191 10.16783 25.33757 -0.008725 -0.017034 0.003246 C 1.94915 11.24247 25.19764 0.004592 0.015537 -0.001717 C 6.38527 14.0642 29.28847 -0.003289 -0.000646 0.000505 C 0.20773 10.10752 24.21982 0.016453 -0.032255 -0.000902 C 2.64078 11.86251 26.34425 0.006154 -0.00409 0.002593 C 7.46208 13.37397 29.86912 -0.018183 -0.001832 0.000492 C 5.2903 11.96166 28.67119 0.001285 0.001121 0.000303 C 5.98166 9.49581 26.01807 -0.006607 -0.006699 0.000572 C 7.44342 9.29006 25.80874 0.009964 0.008796 -0.005934 C 1.21833 10.38179 27.81552 -0.003048 -0.000574 0.001376 C 0.1484 14.92103 28.7746 -0.007531 0.000494 0.000413 C 0.86181 9.49574 26.64117 0.005489 -0.006071 -0.002795 C 7.92794 9.68813 28.19101 0.001392 0.005289 -0.001077 C 8.29504 9.28992 26.85012 -0.00756 0.003419 0.00706 C 7.92786 0.20491 28.19134 0.00152 -0.005427 -0.000587 C 6.08668 12.65135 23.21417 0.00953 0.001545 3.5e-05 C 2.00296 11.48687 27.65828 0.005622 0.000632 -0.000495 C 1.17774 7.2161 27.81558 0.002625 0.001468 -0.00042 C 0.39307 6.11103 27.65834 -0.006468 -0.001814 0.001355 C 4.37162 6.11165 23.05162 -0.027275 -0.032744 -0.000218 C 0.64163 4.94655 28.45744 -0.000637 0.002326 -0.000125 C 3.01499 5.66939 22.79988 0.015041 -0.046332 -6.9e-05 C 8.65023 5.73538 26.34434 -0.006871 0.002742 -0.001701 C 0.84317 4.25706 23.98855 -0.034879 0.006997 0.000431 C 1.26418 7.43005 25.33791 -0.001201 0.009319 -0.002074 C 4.59631 7.21629 23.8851 0.001658 0.031698 0.000829 C 2.18834 7.49044 24.21974 -0.024688 0.016139 0.00132 C 4.37156 3.78159 23.05218 -0.024309 0.02026 -0.000165 C 0.44688 6.35547 25.19781 0.000197 -0.008296 0.002393 C 1.93815 6.35961 23.3738 -0.00728 0.010712 -9.6e-05 C 5.57969 7.43004 27.32153 0.000176 -0.005184 -0.000924 C 6.39701 6.35542 27.46103 -0.013035 -0.000216 -7e-05 C 1.93811 3.53364 23.37391 -0.005331 -0.005875 3.7e-05 C 4.65554 7.49036 28.44014 0.012828 -0.00694 0.000752 C 7.08865 5.73534 26.31436 0.004199 0.000424 0.00114 C 3.01497 4.22391 22.80104 0.015791 0.050368 -0.000119 C 0.84319 5.63617 23.98843 -0.035836 -0.002865 -0.000353 C 1.5343 8.10215 26.64118 -0.006866 0.009469 0.001355 C 2.99607 8.30796 26.85007 0.007479 -0.005972 0.00697 C 5.66612 7.21606 24.84355 0.0048 0.011653 -0.000667 C 4.59623 2.67694 23.8854 0.006061 -0.025637 0.000777 C 5.30945 8.10209 26.01789 0.008066 0.006413 0.00229 C 3.48074 7.90964 24.46787 0.012461 0.021062 0.001365 C 3.8477 8.30784 25.80868 -0.006938 -0.005435 -0.006498 C 3.48065 1.98359 24.4681 0.003459 -0.024317 0.00081 C 1.63966 4.94651 29.44665 -0.002703 0.000977 0.000501 C 6.45088 6.11102 25.00033 0.013671 -0.003318 0.00052 168 energy=-1497.81695579 config_type=nep2xyz pbc="T T T" virial="-19.052849072106135 0.011292706492438572 -0.013730904485124174 0.011292706492438572 -27.25336442957542 0.0032937060602945835 -0.013730904485124174 0.0032937060602945835 -4.068283064707757" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.79912 0.017619 0.011492 0.002028 B 2.965 0.89696 19.80367 -0.009053 0.00074 0.003275 B 0.74125 4.74933 19.79078 0.018204 0.001952 -0.00066 B 2.965 3.46521 19.77523 -0.014277 -0.001221 -0.004186 B 0.74125 7.31758 19.79989 0.018217 -0.010719 0.002185 B 2.965 6.03346 19.76678 -0.01654 0.011566 -0.006794 B 0.74125 9.88583 19.79719 0.011224 0.010604 0.000881 B 2.965 8.60171 19.79538 0.000428 -0.01594 0.000866 B 0.74125 12.45408 19.76979 0.024095 -0.004174 -0.005597 B 2.965 11.16996 19.79912 -0.014363 0.002024 0.001911 B 0.74125 15.02233 19.78857 0.005319 -0.001823 -0.001979 B 2.965 13.73821 19.79929 -0.011301 -0.00243 0.001674 B 5.18875 2.18108 19.79708 -0.00217 0.010061 0.000604 B 7.4125 0.89696 19.79484 0.010335 -0.011407 0.000408 B 5.18875 4.74933 19.76943 -0.002963 -0.004265 -0.005587 B 7.4125 3.46521 19.79954 0.000538 0.005492 0.001972 B 5.18875 7.31758 19.78636 -0.002983 -0.003831 -0.002099 B 7.4125 6.03346 19.79801 -0.00496 -0.00596 0.001806 B 5.18875 9.88583 19.79894 0.003046 0.00823 0.001653 B 7.4125 8.60171 19.80332 0.004706 -0.000797 0.003133 B 5.18875 12.45408 19.78955 -0.00317 0.003039 -0.001467 B 7.4125 11.16996 19.77466 0.00181 -0.001431 -0.004769 B 5.18875 15.02233 19.79723 0.00534 -0.009403 0.001307 B 7.4125 13.73821 19.76252 0.001432 0.010384 -0.007574 N 1.4825 0.89696 19.80117 -0.006253 -0.010163 0.002408 N 3.70625 2.18108 19.79587 0.00067 0.017781 0.00024 N 1.4825 3.46521 19.78572 0.005576 -0.003234 -0.00132 N 3.70625 4.74933 19.74567 0.039952 -0.006219 -0.008596 N 1.4825 6.03346 19.78298 0.000272 -0.01196 -0.002659 N 3.70625 7.31758 19.77551 -0.001165 0.01452 -0.00437 N 1.4825 8.60171 19.80197 -0.001071 -4.2e-05 0.002706 N 3.70625 9.88583 19.80301 0.003132 -0.001909 0.003128 N 1.4825 11.16996 19.78701 -0.00593 0.010795 -0.001149 N 3.70625 12.45408 19.80013 0.016842 0.001485 0.001965 N 1.4825 13.73821 19.78499 -0.008317 -0.017931 -0.002824 N 3.70625 15.02233 19.80535 0.005888 -0.001927 0.00434 N 5.93 0.89696 19.80136 5.1e-05 -0.001606 0.002036 N 8.15375 2.18108 19.80329 -0.008931 -0.003448 0.003223 N 5.93 3.46521 19.78831 -0.008552 0.002164 -0.001278 N 8.15375 4.74933 19.80047 -0.005201 0.002121 0.00216 N 5.93 6.03346 19.78128 -0.003955 0.002566 -0.002984 N 8.15375 7.31758 19.80568 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-0.014667 0.00032 C 0.69745 14.30396 23.37391 0.021034 0.02061 0.000277 C 5.95091 15.37439 27.32196 -0.000927 -0.005408 0.001252 C 5.13359 14.29977 27.46142 0.011012 0.001066 -0.000142 C 0.69749 11.47799 23.37311 0.030405 -0.024451 0.000125 C 6.87506 0.02521 28.44058 -0.012347 -0.006077 -1.1e-05 C 4.44195 13.67969 26.31472 -0.004173 -0.000795 0.000649 C 8.51563 12.16826 22.80217 -0.022442 0.08457 -0.000198 C 1.79241 13.58052 23.98842 0.048155 -0.007503 0.000363 C 1.1013 0.637 26.64137 0.008526 0.009633 0.001336 C 8.53453 0.84281 26.85058 -0.009499 -0.004389 -0.006218 C 5.86448 15.16041 24.84428 -0.017439 0.007229 0.000526 C 6.93437 10.62129 23.88546 -0.007203 -0.026674 0.000309 C 6.22115 0.63694 26.01844 -0.007366 0.007094 -0.001099 C 8.04986 0.44449 24.46837 -0.00722 0.023088 -0.001253 C 7.6829 0.84269 25.80899 0.009711 -0.003555 0.006864 C 8.04995 9.92794 24.46804 0.001468 -0.029037 0.000784 C 0.99594 12.89086 29.44656 0.002669 0.000438 0.000449 C 5.07972 14.05537 25.00093 -0.007032 0.010459 8.9e-05 C 5.90566 2.9167 24.84389 0.003775 -0.018635 0.000525 C 6.69049 4.02168 25.00061 0.013393 0.005014 4.1e-05 C 2.7119 4.02105 29.61017 0.005033 -0.00761 0.00023 C 6.44198 5.18617 24.20138 0.032286 -0.005115 0.000526 C 4.0685 4.46336 29.869 0.016117 0.001636 0.00034 C 7.32825 4.3973 26.31459 0.004225 -0.000606 0.000154 C 6.2403 5.87565 28.6712 -0.00143 -0.0014 0.000357 C 5.81915 2.70267 27.32178 0.000234 0.005032 0.000865 C 2.48713 2.91639 28.77441 0.006694 -0.000551 0.000609 C 4.89505 2.64227 28.44045 0.014075 0.006662 0.000105 C 2.71193 6.35114 29.61007 0.005049 0.008261 0.000339 C 6.63658 3.77719 27.46127 -0.011576 -0.000612 0.000376 C 5.14531 3.77312 29.28833 0.001117 0.000485 0.000215 C 1.50369 2.70268 25.33768 0.004495 -0.012731 -0.000826 C 0.68645 3.77732 25.19758 -0.005959 0.01283 0.000729 C 5.14533 6.59905 29.28826 0.002145 -0.001024 0.000229 C 2.42787 2.64237 24.21988 -0.010531 -0.034232 0.000651 C 8.88982 4.39736 26.34419 -0.00517 -0.003871 0.000113 C 4.06852 5.90882 29.86893 0.016273 0.00034 0.000303 C 6.2403 4.49651 28.67122 -0.000204 0.002184 0.000156 C 5.54894 2.03066 26.01825 0.007536 -0.006864 -0.001332 C 4.08718 1.82491 25.80875 -0.011568 0.005989 0.009558 C 1.41727 2.91664 27.81554 0.002153 0.000243 8e-06 C 2.4872 7.45588 28.77435 0.006669 0.000115 0.000349 C 1.7738 2.03059 26.6412 -0.004187 -0.005555 0.002372 C 3.60266 2.22298 28.19112 -0.002271 0.006356 0.002647 C 3.23556 1.82477 26.85045 0.010779 0.00133 -0.008987 C 3.60274 8.14926 28.19105 -0.001788 -0.005324 0.001516 C 5.44392 5.1862 23.2137 -0.016489 0.002498 6e-06 C 0.63264 4.02172 27.65822 -0.005471 -0.000514 0.000632 C 5.86454 10.62145 24.84365 -0.002142 -0.016858 -0.000165 C 5.07971 11.72643 25.00054 -0.01333 0.00397 0.000494 C 0.1633 11.7258 29.61007 -0.006872 -0.00819 0.000405 C 5.32822 12.89092 24.20138 -0.029881 -0.004597 0.000181 C 7.7017 12.16811 29.86894 -0.018614 0.001058 0.00043 C 4.44195 12.10205 26.31455 -0.003635 -0.00124 -0.000125 C 5.5299 13.5804 28.67131 0.000253 -0.001483 0.000465 C 5.95105 10.40742 27.32165 -0.000764 0.004379 -0.0006 C 0.38807 10.62114 28.77431 -0.007676 -1.1e-05 0.000328 C 6.87515 10.34702 28.44029 -0.012552 0.006182 0.000567 C 0.16327 14.05589 29.61024 -0.005181 0.007451 0.000328 C 5.13362 11.48194 27.46119 0.010775 -0.000155 0.000766 C 6.62489 11.47787 29.28821 0.000164 -0.001197 0.000311 C 1.37151 10.40743 25.33754 -0.007111 -0.014228 0.000125 C 2.18875 11.48207 25.19743 0.004279 0.013067 0.000552 C 6.62487 14.3038 29.28844 -0.004252 -0.000872 0.000286 C 0.44733 10.34712 24.21975 0.011032 -0.032216 0.000382 C 2.88038 12.10211 26.3441 0.005453 -0.004139 0.000256 C 7.70168 13.61357 29.86905 -0.017893 -0.000977 0.0004 C 5.5299 12.20126 28.67116 0.000712 0.001635 0.000159 C 6.22126 9.73541 26.01801 -0.008532 -0.00647 0.001408 C 7.68302 9.52966 25.80868 0.007931 0.008479 -0.0025 C 1.45793 10.62139 27.81545 -0.002787 -0.000162 0.000319 C 0.388 15.16063 28.77457 -0.00698 0.000415 0.000529 C 1.10141 9.73534 26.64109 0.006071 -0.006322 6.2e-05 C 8.16754 9.92773 28.19097 0.002346 0.005963 -0.000451 C 8.53464 9.52952 26.85015 -0.007707 0.002489 0.002932 C 8.16746 0.44451 28.19132 0.000573 -0.004733 0.00218 C 6.32628 12.89095 23.2137 0.013293 -0.00167 0.000156 C 2.24256 11.72647 27.65815 0.00501 -3.5e-05 0.000424 C 1.41734 7.4557 27.8155 0.002079 0.001019 0.000315 C 0.63267 6.35063 27.65825 -0.005636 -0.001444 0.000381 C 4.61122 6.35125 23.05222 -0.026013 -0.039249 0.000177 C 0.88123 5.18615 28.45732 -0.000303 0.000665 0.000236 C 3.25459 5.90899 22.8003 0.023576 -0.043345 -0.000112 C 8.88983 5.97498 26.34419 -0.00509 0.003373 0.000554 C 1.08277 4.49666 23.98841 -0.037369 0.015027 0.000195 C 1.50378 7.66965 25.33776 0.003122 0.013961 0.000253 C 4.83591 7.45589 23.88539 0.001433 0.03466 -8.8e-05 C 2.42794 7.73004 24.2198 -0.02497 0.016468 0.000217 C 4.61116 4.02119 23.05274 -0.012862 0.013977 0.000245 C 0.68648 6.59507 25.1976 -5.6e-05 -0.013569 4e-06 C 2.17775 6.59921 23.37359 -0.014601 0.015512 0.000204 C 5.81929 7.66964 27.32172 2.3e-05 -0.006269 0.00131 C 6.63661 6.59502 27.46127 -0.011762 0.001054 -0.000238 C 2.17771 3.77324 23.37341 -0.022326 -0.014579 0.000264 C 4.89514 7.72996 28.44032 0.012103 -0.006395 -0.000195 C 7.32825 5.97494 26.31463 0.004622 4.4e-05 0.000594 C 3.25457 4.46351 22.80202 0.025095 0.061015 -0.000249 C 1.08279 5.87577 23.98826 -0.042931 -0.00255 0.000392 C 1.7739 8.34175 26.64114 -0.008414 0.009531 0.000929 C 3.23567 8.54756 26.85026 0.009598 -0.005218 -0.004226 C 5.90572 7.45566 24.84396 0.014641 0.005676 0.000617 C 4.83583 2.91654 23.88574 0.00764 -0.024762 -6.8e-05 C 5.54905 8.34169 26.01815 0.007188 0.006561 -0.001355 C 3.72034 8.14924 24.46798 0.011821 0.022164 -0.000798 C 4.0873 8.54744 25.80866 -0.010006 -0.004499 0.004758 C 3.72025 2.22319 24.4683 -0.006394 -0.027706 -0.00207 C 1.87926 5.18611 29.44656 -0.002637 0.001292 0.000463 C 6.69048 6.35062 25.00082 0.007043 0.009258 -0.000165 168 energy=-1497.81565402 config_type=nep2xyz pbc="T T T" virial="-19.08561503109556 0.004576968161708058 -0.03772790578155614 0.004576968161708058 -27.325440984271474 0.011592134316101718 -0.03772790578155614 0.011592134316101718 -4.031154014573527" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.80035 0.017637 0.002459 0.002331 B 2.965 0.89696 19.80387 -0.0118 -0.006314 0.002962 B 0.74125 4.74933 19.79597 0.01503 0.000545 0.000299 B 2.965 3.46521 19.77751 -0.010766 0.001664 -0.003751 B 0.74125 7.31758 19.80206 0.016914 -0.003611 0.002387 B 2.965 6.03346 19.76466 -0.016791 0.014781 -0.007458 B 0.74125 9.88583 19.79741 0.016897 0.017716 0.001416 B 2.965 8.60171 19.7921 0.000694 -0.014623 -4.3e-05 B 0.74125 12.45408 19.77002 0.026188 -0.004458 -0.005941 B 2.965 11.16996 19.79861 -0.019012 0.004025 0.001787 B 0.74125 15.02233 19.78362 0.011718 -0.004782 -0.002934 B 2.965 13.73821 19.7976 -0.017039 -0.00274 0.001249 B 5.18875 2.18108 19.79675 -0.001436 0.006533 0.000167 B 7.4125 0.89696 19.79209 0.009558 -0.013358 -0.000126 B 5.18875 4.74933 19.76556 0.007777 -0.005817 -0.006988 B 7.4125 3.46521 19.79939 0.000512 0.004301 0.001741 B 5.18875 7.31758 19.78062 8.6e-05 0.002488 -0.003754 B 7.4125 6.03346 19.79729 -0.004135 -0.004098 0.001484 B 5.18875 9.88583 19.79995 0.000276 0.00568 0.001776 B 7.4125 8.60171 19.80404 0.002034 -0.000897 0.003519 B 5.18875 12.45408 19.79331 -0.002495 0.004928 -0.00033 B 7.4125 11.16996 19.78033 -0.000241 0.005313 -0.003239 B 5.18875 15.02233 19.79773 0.002388 -0.011711 0.001323 B 7.4125 13.73821 19.76258 -0.002076 0.000307 -0.007095 N 1.4825 0.89696 19.79928 -0.008153 -0.008205 0.002058 N 3.70625 2.18108 19.79787 0.003742 0.023968 0.000336 N 1.4825 3.46521 19.79148 0.011524 -0.001617 -0.000143 N 3.70625 4.74933 19.74395 0.018551 -0.015836 -0.009523 N 1.4825 6.03346 19.7883 0.014114 -0.011952 -0.002366 N 3.70625 7.31758 19.76791 -0.002578 0.015786 -0.005834 N 1.4825 8.60171 19.8014 0.002418 -0.004267 0.002714 N 3.70625 9.88583 19.80201 0.003095 -0.005813 0.002535 N 1.4825 11.16996 19.78559 -0.004598 0.002109 -0.00121 N 3.70625 12.45408 19.80093 0.014384 0.000729 0.002242 N 1.4825 13.73821 19.77993 0.001572 -0.012236 -0.00415 N 3.70625 15.02233 19.80494 0.005949 0.000575 0.004029 N 5.93 0.89696 19.80049 0.003952 0.001877 0.001525 N 8.15375 2.18108 19.80292 -0.011039 -0.003268 0.003042 N 5.93 3.46521 19.78643 -0.009524 0.008879 -0.00214 N 8.15375 4.74933 19.80224 -0.007133 0.002775 0.002759 N 5.93 6.03346 19.77603 -0.00978 -0.004364 -0.004806 N 8.15375 7.31758 19.80657 -0.007753 -0.003627 0.004851 N 5.93 8.60171 19.79861 -0.007813 -0.014071 0.001509 N 8.15375 9.88583 19.79918 -0.007375 0.015766 0.001419 N 5.93 11.16996 19.79267 0.008095 -0.001987 -0.000459 N 8.15375 12.45408 19.74904 -0.031997 0.006444 -0.008591 N 5.93 13.73821 19.7818 0.007939 -0.000623 -0.002936 N 8.15375 15.02233 19.76908 -0.004341 0.012726 -0.005152 C 1.69746 15.40005 27.81562 -0.001849 0.000565 0.000165 C 2.48213 14.29498 27.65822 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2.35846 5.66531 29.44657 -0.003415 0.000251 0.000471 C 7.16968 6.82982 25.00141 0.001811 0.018437 0.000992 168 energy=-1497.81317209 config_type=nep2xyz pbc="T T T" virial="-19.173989014479567 -0.0023954225893051515 -0.026178546868834873 -0.0023954225893051515 -27.46779752672161 0.012661519400612945 -0.026178546868834873 0.012661519400612945 -3.9540727376819573" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.79954 0.01773 -0.013084 0.001753 B 2.965 0.89696 19.80058 -0.013836 -0.007309 0.001213 B 0.74125 4.74933 19.80187 0.008746 -0.000261 0.002549 B 2.965 3.46521 19.7842 0.000866 0.013944 -0.002364 B 0.74125 7.31758 19.80283 0.009291 0.001023 0.003067 B 2.965 6.03346 19.7639 -0.00579 0.002949 -0.007668 B 0.74125 9.88583 19.79811 0.01913 0.018272 0.001598 B 2.965 8.60171 19.78684 0.002468 -0.015389 -0.001842 B 0.74125 12.45408 19.76936 0.025785 -0.005701 -0.007559 B 2.965 11.16996 19.79883 -0.017589 0.005582 0.001018 B 0.74125 15.02233 19.77192 0.023554 0.002196 -0.006957 B 2.965 13.73821 19.79041 -0.025236 -0.00027 -0.001238 B 5.18875 2.18108 19.79792 -0.000313 0.007228 0.000965 B 7.4125 0.89696 19.78921 0.005932 -0.010572 -0.001288 B 5.18875 4.74933 19.76832 0.011863 0.001508 -0.006843 B 7.4125 3.46521 19.80073 -0.005638 0.006069 0.002868 B 5.18875 7.31758 19.77207 0.0067 -7.6e-05 -0.006304 B 7.4125 6.03346 19.79683 -0.008618 -0.001021 0.001684 B 5.18875 9.88583 19.79945 -0.001007 -0.005723 0.001536 B 7.4125 8.60171 19.80238 -0.004216 -0.004856 0.003517 B 5.18875 12.45408 19.79841 -0.001987 0.0082 0.000958 B 7.4125 11.16996 19.78794 0.0036 0.009475 -0.001638 B 5.18875 15.02233 19.7988 -0.002108 -0.010608 0.001167 B 7.4125 13.73821 19.76594 -0.007431 -0.003375 -0.007704 N 1.4825 0.89696 19.79108 -0.012792 -0.004351 -0.001205 N 3.70625 2.18108 19.79983 0.002401 0.014313 0.000938 N 1.4825 3.46521 19.79868 0.011461 0.003573 0.001879 N 3.70625 4.74933 19.75176 -0.013104 -0.016296 -0.008949 N 1.4825 6.03346 19.79386 0.029104 -0.002633 -0.000865 N 3.70625 7.31758 19.75675 -0.011331 0.012798 -0.008565 N 1.4825 8.60171 19.79979 0.009628 -0.004675 0.002256 N 3.70625 9.88583 19.80046 0.00144 -0.008568 0.001416 N 1.4825 11.16996 19.78681 -0.011289 -0.001999 -0.00185 N 3.70625 12.45408 19.80081 0.005527 -0.000171 0.001821 N 1.4825 13.73821 19.76405 0.030617 0.001582 -0.007769 N 3.70625 15.02233 19.80159 0.002985 0.000172 0.002192 N 5.93 0.89696 19.80031 0.010634 0.000864 0.001706 N 8.15375 2.18108 19.80199 -0.010943 -0.007701 0.00267 N 5.93 3.46521 19.78858 -0.005081 0.00726 -0.001188 N 8.15375 4.74933 19.80468 -0.006692 0.002643 0.004974 N 5.93 6.03346 19.77185 -0.018776 -0.004173 -0.006302 N 8.15375 7.31758 19.80577 -0.008215 -0.004256 0.005338 N 5.93 8.60171 19.79243 -0.00635 -0.01069 -9.8e-05 N 8.15375 9.88583 19.80157 -0.010036 0.01111 0.00262 N 5.93 11.16996 19.79989 0.011459 0.001231 0.001554 N 8.15375 12.45408 19.75902 -0.020721 0.010473 -0.008599 N 5.93 13.73821 19.78766 0.013258 0.000744 -0.002066 N 8.15375 15.02233 19.76187 -0.01591 4.1e-05 -0.008156 C 2.17666 0.46975 27.81577 -0.002278 -0.000601 0.000896 C 2.96133 14.77418 27.65834 0.002329 -0.000431 0.00034 C 7.87778 14.7748 23.05428 0.037745 -0.040463 1.5e-05 C 2.71277 13.6097 28.45739 0.000202 0.000896 0.001257 C 0.33941 14.33254 22.80095 -0.041946 -0.075834 0.000111 C 3.59917 14.39853 26.34425 0.00381 0.004016 0.000714 C 2.51123 12.92021 23.9879 0.032109 -0.01387 0.000624 C 2.09022 0.6837 25.33792 -0.008187 0.011625 0.000306 C 7.65309 0.46994 23.88622 -0.016862 0.033668 0.001243 C 1.16606 0.74409 24.22045 0.010829 0.032455 0.000841 C 7.87784 12.44474 23.05454 0.033129 0.034394 -6.2e-05 C 2.90752 15.01862 25.19749 0.007429 -0.017233 0.000814 C 1.41625 15.02276 23.37352 0.033915 0.012225 0.000354 C 6.66971 0.68369 27.32225 -0.001409 -0.003315 -0.000881 C 5.85239 15.01857 27.46172 0.009856 1.2e-05 0.001296 C 1.41629 12.19679 23.37346 0.028905 -0.003997 0.00038 C 7.59386 0.74401 28.44081 -0.013393 -0.005741 0.001066 C 5.16075 14.39849 26.3151 -0.006527 0.000438 -0.000166 C 0.33943 12.88706 22.80073 -0.035674 0.072772 0.00013 C 2.51121 14.29932 23.98791 0.033196 0.014996 0.000544 C 1.8201 1.3558 26.64145 0.005454 0.007067 0.000234 C 0.35833 1.56161 26.8508 -0.004776 -0.004391 0.002245 C 6.58328 0.46971 24.84461 -0.013254 0.00821 -0.000802 C 7.65317 11.34009 23.88627 -0.019088 -0.027076 0.001318 C 6.93995 1.35574 26.01867 -0.009549 0.008751 0.002387 C 8.76866 1.16329 24.46892 0.015505 0.017412 0.000483 C 8.4017 1.56149 25.80943 0.003444 -0.003528 -0.001067 C 8.76875 10.64674 24.46891 0.020626 -0.018236 0.000916 C 1.71474 13.60966 29.4467 0.002977 0.000308 0.000515 C 5.79852 14.77417 25.0013 -0.012444 0.001111 0.001829 C 6.62446 3.6355 24.84409 0.008477 -0.010971 0.001222 C 7.40929 4.74048 25.00102 0.00847 -0.004228 -0.000506 C 3.4307 4.73985 29.61024 0.004871 -0.007589 0.000281 C 7.16078 5.90497 24.20158 0.014633 -0.001871 0.001112 C 4.7873 5.18216 29.86909 0.016961 -0.001294 0.000422 C 8.04705 5.1161 26.31484 0.004926 -0.000151 0.000768 C 6.9591 6.59445 28.6715 -0.00064 -0.000881 0.000333 C 6.53795 3.42147 27.32189 -0.000947 0.005027 0.001898 C 3.20593 3.63519 28.77446 0.007412 -0.000135 0.000672 C 5.61385 3.36107 28.4405 0.013352 0.005095 -0.00015 C 3.43073 7.06994 29.61028 0.004819 0.00807 0.000475 C 7.35538 4.49599 27.46148 -0.010521 0.000369 -0.000225 C 5.86411 4.49192 29.28844 0.00206 0.001096 0.000275 C 2.22249 3.42148 25.33765 0.004929 -0.010845 -0.000195 C 1.40525 4.49612 25.19742 0.00061 0.014108 0.000356 C 5.86413 7.31785 29.28857 0.003189 -0.001841 0.000413 C 3.14667 3.36117 24.21977 -0.0187 -0.004623 0.00035 C 0.71362 5.11616 26.34417 -0.005594 -0.003243 0.000429 C 4.78732 6.62762 29.86914 0.015657 -0.000524 0.000415 C 6.9591 5.21531 28.6714 -3.6e-05 0.000173 0.000521 C 6.26774 2.74946 26.01837 0.005566 -0.007909 -0.002422 C 4.80598 2.54371 25.8088 -0.010933 0.004965 0.008794 C 2.13607 3.63544 27.81557 0.001835 0.000763 7.5e-05 C 3.206 8.17468 28.77459 0.00712 -0.000337 0.000525 C 2.4926 2.74939 26.64119 -0.005328 -0.007406 0.002094 C 4.32146 2.94178 28.19119 -0.001589 0.005944 0.002411 C 3.95436 2.54357 26.85045 0.008736 0.001297 -0.008112 C 4.32154 8.86806 28.19142 -0.00093 -0.004527 0.000226 C 6.16272 5.905 23.21409 -0.001823 0.001104 -0.000193 C 1.35144 4.74052 27.65822 -0.004387 -0.000214 0.000671 C 6.58334 11.34025 24.8446 -0.012446 -0.01037 -0.000721 C 5.79851 12.44523 25.00124 -0.012591 0.000504 0.001877 C 0.8821 12.4446 29.6104 -0.003432 -0.006269 0.000825 C 6.04702 13.60972 24.20217 -0.025086 -0.000668 -0.001321 C 8.4205 12.88691 29.8692 -0.015446 0.000129 0.000647 C 5.16075 12.82085 26.31508 -0.006146 0.00018 -0.000276 C 6.2487 14.2992 28.67161 -0.001199 -0.001282 0.000469 C 6.66985 11.12622 27.32217 -0.002628 0.003686 -0.000863 C 1.10687 11.33994 28.77466 -0.005531 -0.000404 0.000479 C 7.59395 11.06582 28.44072 -0.013687 0.006702 0.001127 C 0.88207 14.77469 29.61039 -0.003373 0.007614 0.000744 C 5.85242 12.20074 27.46168 0.009273 4.5e-05 0.001366 C 7.34369 12.19667 29.28867 -0.002649 0.000478 0.000617 C 2.09031 11.12623 25.33784 -0.007234 -0.01107 0.000714 C 2.90755 12.20087 25.19747 0.007197 0.01517 0.000559 C 7.34367 15.0226 29.28869 -0.002504 -0.00062 0.000616 C 1.16613 11.06592 24.22035 0.009049 -0.037872 0.000764 C 3.59918 12.82091 26.34423 0.003406 -0.003878 0.001059 C 8.42048 14.33237 29.86922 -0.014598 0.000719 0.000619 C 6.2487 12.92006 28.6716 -0.001076 0.00153 0.000491 C 6.94006 10.45421 26.01864 -0.010191 -0.010425 0.002394 C 8.40182 10.24846 25.80935 0.00223 0.003946 -0.002771 C 2.17673 11.34019 27.81572 -0.001906 0.001082 0.001084 C 1.1068 0.46993 28.77472 -0.005048 -0.001227 0.000505 C 1.82021 10.45414 26.64142 0.00516 -0.005676 -0.00012 C 8.88634 10.64653 28.19156 0.004113 0.003045 -0.000135 C 0.35844 10.24832 26.8507 -0.003639 0.00432 0.004075 C 8.88626 1.16331 28.19164 0.003451 -0.003084 0.000131 C 7.04508 13.60975 23.21388 -0.011734 -0.002513 0.001065 C 2.96136 12.44527 27.65831 0.002187 -0.000532 0.000197 C 2.13614 8.1745 27.81569 0.001509 -0.000959 0.000282 C 1.35147 7.06943 27.65831 -0.003903 -4.3e-05 0.000769 C 5.33002 7.07005 23.05224 -0.002486 -0.012001 0.000183 C 1.60003 5.90495 28.45736 0.000235 0.000399 0.000268 C 3.97339 6.62779 22.79918 0.029429 -0.047004 -9.8e-05 C 0.71363 6.69378 26.34425 -0.005616 0.003223 8e-06 C 1.80157 5.21546 23.98781 -0.019803 -0.016023 0.000353 C 2.22258 8.38845 25.33792 0.002264 0.010145 6.8e-05 C 5.55471 8.17469 23.88584 -0.005068 0.013467 -5e-06 C 3.14674 8.44884 24.22007 -0.021243 0.005398 0.000404 C 5.32996 4.73999 23.05182 0.008215 0.00817 0.00034 C 1.40528 7.31387 25.19758 0.001308 -0.014824 0.000712 C 2.89655 7.31801 23.37345 -0.041971 0.012108 0.000173 C 6.53809 8.38844 27.32212 -0.000613 -0.004726 0.000621 C 7.35541 7.31382 27.46162 -0.010479 0.0001 0.000237 C 2.89651 4.49204 23.373 -0.050691 -0.020531 0.000301 C 5.61394 8.44876 28.44067 0.012562 -0.004702 0.000314 C 8.04705 6.69374 26.31495 0.004572 8.3e-05 0.000607 C 3.97337 5.18231 22.79899 0.027709 0.060632 -0.000157 C 1.80159 6.59457 23.98794 -0.024456 0.016742 0.000265 C 2.4927 9.06055 26.64136 -0.007079 0.008252 0.000679 C 3.95447 9.26636 26.85056 0.006754 -0.003379 0.001174 C 6.62452 8.17446 24.8444 0.013566 0.008677 0.000747 C 5.55463 3.63534 23.88567 -0.004301 -0.01269 -0.000384 C 6.26785 9.06049 26.01858 0.006947 0.00793 -8.5e-05 C 4.43914 8.86804 24.46843 0.010013 0.024471 0.000679 C 4.8061 9.26624 25.80912 -0.007675 -0.004488 -0.000434 C 4.43905 2.94199 24.46827 0.007659 -0.025689 -0.001585 C 2.59806 5.90491 29.44662 -0.003768 0.000126 0.000587 C 7.40928 7.06942 25.0012 0.005053 0.009329 -0.000296 168 energy=-1497.81301227 config_type=nep2xyz pbc="T T T" virial="-19.200638090785585 0.010266096811307792 -0.011592134316101718 0.010266096811307792 -27.4783202759532 0.010137770601166447 -0.011592134316101718 0.010137770601166447 -3.9609168022228296" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.79759 0.017375 -0.016705 0.001049 B 2.965 0.89696 19.79763 -0.013923 -0.003388 -3.8e-05 B 0.74125 4.74933 19.80272 0.006897 0.001138 0.003092 B 2.965 3.46521 19.78777 0.00618 0.018788 -0.001655 B 0.74125 7.31758 19.80206 0.004316 -0.001643 0.002785 B 2.965 6.03346 19.76594 0.002087 -0.003015 -0.007127 B 0.74125 9.88583 19.79917 0.015849 0.011297 0.001482 B 2.965 8.60171 19.78589 0.005375 -0.016807 -0.002138 B 0.74125 12.45408 19.7683 0.02296 -0.007518 -0.007982 B 2.965 11.16996 19.7994 -0.012319 0.004121 0.000459 B 0.74125 15.02233 19.76605 0.021606 0.012914 -0.00871 B 2.965 13.73821 19.78566 -0.023256 -0.000328 -0.0028 B 5.18875 2.18108 19.79981 -0.000226 0.009111 0.002155 B 7.4125 0.89696 19.78984 0.00595 -0.00846 -0.001027 B 5.18875 4.74933 19.77202 0.005036 0.006489 -0.005862 B 7.4125 3.46521 19.8019 -0.007072 0.008132 0.003531 B 5.18875 7.31758 19.76865 0.007647 -0.006381 -0.007098 B 7.4125 6.03346 19.79555 -0.012907 0.001003 0.001381 B 5.18875 9.88583 19.79814 0.000525 -0.011393 0.001144 B 7.4125 8.60171 19.80011 -0.006686 -0.009269 0.002605 B 5.18875 12.45408 19.80023 -0.000166 0.008371 0.001496 B 7.4125 11.16996 19.79054 0.007325 0.010554 -0.000904 B 5.18875 15.02233 19.80013 -0.001678 -0.007333 0.001502 B 7.4125 13.73821 19.77004 -0.006855 0.001999 -0.007066 N 1.4825 0.89696 19.78479 -0.013844 -0.001132 -0.003438 N 3.70625 2.18108 19.80046 -0.000789 0.004719 0.001381 N 1.4825 3.46521 19.80015 0.007215 0.002395 0.002166 N 3.70625 4.74933 19.75874 -0.012461 -0.009895 -0.008115 N 1.4825 6.03346 19.79466 0.025031 0.001467 -0.000383 N 3.70625 7.31758 19.75462 -0.018868 0.010178 -0.009076 N 1.4825 8.60171 19.7997 0.011137 -0.001449 0.002106 N 3.70625 9.88583 19.80005 0.000305 -0.00766 0.000936 N 1.4825 11.16996 19.78902 -0.014647 0.006327 -0.002264 N 3.70625 12.45408 19.80007 -0.00138 0.002976 0.00124 N 1.4825 13.73821 19.7548 0.039238 -0.000922 -0.009766 N 3.70625 15.02233 19.79942 -0.001836 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2.46218 8.62805 25.33794 0.001049 0.008461 -8.6e-05 C 5.79431 8.41429 23.88542 -0.005981 0.013867 -3.3e-05 C 3.38634 8.68844 24.21992 -0.022903 0.002045 0.000367 C 5.56956 4.97959 23.05179 -0.009202 0.009039 7e-06 C 1.64488 7.55347 25.19773 0.002232 -0.01019 0.000623 C 3.13615 7.55761 23.3735 -0.040865 0.01452 0.0003 C 6.77769 8.62804 27.32186 -7.7e-05 -0.0061 0.000993 C 7.59501 7.55342 27.46135 -0.012111 -0.00077 2e-05 C 3.13611 4.73164 23.37384 -0.03323 -0.006336 0.00013 C 5.85354 8.68836 28.44049 0.013025 -0.004474 0.000124 C 8.28665 6.93334 26.31466 0.004782 0.000231 0.000831 C 4.21297 5.42191 22.79892 0.021986 0.049005 -4.4e-05 C 2.04119 6.83417 23.98809 -0.015388 0.018257 0.000228 C 2.7323 9.30015 26.64134 -0.006172 0.007599 0.001836 C 4.19407 9.50596 26.85051 0.009865 -0.002487 -0.007353 C 6.86412 8.41406 24.84387 0.003897 0.011698 0.000572 C 5.79423 3.87494 23.88556 -0.005671 -0.013938 0.000441 C 6.50745 9.30009 26.01828 0.006955 0.007762 -0.001127 C 4.67874 9.10764 24.46826 0.011499 0.021157 -0.001464 C 5.0457 9.50584 25.80886 -0.010271 -0.004213 0.00782 C 4.67865 3.18159 24.46828 0.012365 -0.022277 0.002356 C 2.83766 6.14451 29.44676 -0.003867 0.000353 0.000408 C 7.64888 7.30902 25.00069 0.012176 -0.002609 0.000142 168 energy=-1497.81333539 config_type=nep2xyz pbc="T T T" virial="-19.181175282247484 0.02031831660571334 0.007827898818622192 0.02031831660571334 -27.45179952585732 0.004405866548186262 0.007827898818622192 0.004405866548186262 -3.9614728824667753" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.79499 0.016808 -0.017401 0.000189 B 2.965 0.89696 19.79427 -0.013003 0.001634 -0.001019 B 0.74125 4.74933 19.80298 0.006889 0.003504 0.002671 B 2.965 3.46521 19.79106 0.009209 0.0211 -0.000699 B 0.74125 7.31758 19.80118 -0.000134 -0.004643 0.002008 B 2.965 6.03346 19.76975 0.009028 -0.004206 -0.005411 B 0.74125 9.88583 19.80071 0.011955 0.002833 0.001304 B 2.965 8.60171 19.78628 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-0.016626 0.005689 0.00027 C 6.09314 8.92796 28.44029 0.012647 -0.00533 0.000661 C 8.52625 7.17294 26.31452 0.004957 0.000569 0.000127 C 4.45257 5.66151 22.80023 0.021583 0.046171 3.1e-05 C 2.28079 7.07377 23.98825 -0.016035 0.015991 0.000311 C 2.9719 9.53975 26.64127 -0.005622 0.00816 -0.000535 C 4.43367 9.74556 26.85023 0.005687 -0.004451 0.007386 C 7.10372 8.65366 24.84356 -0.001023 0.011722 -7.9e-05 C 6.03383 4.11454 23.88578 8.8e-05 -0.018121 0.000639 C 6.74705 9.53969 26.01803 0.007941 0.006792 0.001527 C 4.91834 9.34724 24.46807 0.013582 0.019191 0.001886 C 5.2853 9.74544 25.80886 -0.006787 -0.006224 -0.006662 C 4.91825 3.42119 24.46855 0.008207 -0.019364 0.001657 C 3.07726 6.38411 29.44687 -0.003007 0.001307 0.000532 C 7.88848 7.54862 25.00042 0.016416 -0.009591 0.000584 168 energy=-1497.81393527 config_type=nep2xyz pbc="T T T" virial="-19.15542448941245 0.031910450921815055 0.000898283470989432 0.031910450921815055 -27.411932849906744 0.004619743565088507 0.000898283470989432 0.004619743565088507 -3.9707551450003327" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.79185 0.015062 -0.016346 -0.000475 B 2.965 0.89696 19.79088 -0.009889 0.005607 -0.001627 B 0.74125 4.74933 19.80287 0.008116 0.005997 0.002637 B 2.965 3.46521 19.79428 0.010855 0.020703 2.8e-05 B 0.74125 7.31758 19.8003 -0.003095 -0.005964 0.001725 B 2.965 6.03346 19.77609 0.013878 3.1e-05 -0.004266 B 0.74125 9.88583 19.80225 0.009484 -0.004307 0.00184 B 2.965 8.60171 19.78833 0.012167 -0.017827 -0.001456 B 0.74125 12.45408 19.77055 0.013132 -0.004597 -0.005735 B 2.965 11.16996 19.80036 -0.000208 -0.000154 0.000528 B 0.74125 15.02233 19.75759 0.004681 0.025362 -0.008805 B 2.965 13.73821 19.77882 -0.006422 -0.006356 -0.003534 B 5.18875 2.18108 19.80409 -0.004403 0.005175 0.003811 B 7.4125 0.89696 19.79315 0.00846 -0.005956 0.000374 B 5.18875 4.74933 19.77698 -0.011957 0.005592 -0.003828 B 7.4125 3.46521 19.80267 -0.002008 0.009977 0.003173 B 5.18875 7.31758 19.76188 -0.005474 -0.005746 -0.007725 B 7.4125 6.03346 19.78723 -0.012439 0.001642 -0.001447 B 5.18875 9.88583 19.79315 0.000237 -0.016252 -0.000234 B 7.4125 8.60171 19.79148 -0.005469 -0.011535 -0.000383 B 5.18875 12.45408 19.80296 0.000279 0.005706 0.002518 B 7.4125 11.16996 19.79587 0.00919 0.009445 0.000372 B 5.18875 15.02233 19.80354 0.001847 -0.002459 0.002706 B 7.4125 13.73821 19.78166 -0.001091 0.009272 -0.003557 N 1.4825 0.89696 19.77035 -0.010504 0.007977 -0.005703 N 3.70625 2.18108 19.80112 -0.006615 -0.011748 0.001982 N 1.4825 3.46521 19.80121 -0.003089 -0.005633 0.001963 N 3.70625 4.74933 19.77456 0.002623 -0.008688 -0.00435 N 1.4825 6.03346 19.79737 0.007546 0.002835 0.000666 N 3.70625 7.31758 19.75956 -0.030775 -0.001841 -0.007007 N 1.4825 8.60171 19.8016 0.006778 0.003851 0.002331 N 3.70625 9.88583 19.79879 0.001509 -0.002881 0.000348 N 1.4825 11.16996 19.79513 -0.013799 0.023438 -0.000846 N 3.70625 12.45408 19.79794 -0.012106 0.014579 0.000836 N 1.4825 13.73821 19.74442 0.02115 -0.020807 -0.009196 N 3.70625 15.02233 19.79588 -0.014976 -0.009131 -0.000604 N 5.93 0.89696 19.80571 0.010959 -0.005519 0.004708 N 8.15375 2.18108 19.80011 -0.003215 -0.010638 0.002098 N 5.93 3.46521 19.79833 -0.005541 0.010518 0.002151 N 8.15375 4.74933 19.80185 -0.010645 0.000883 0.002972 N 5.93 6.03346 19.76082 0.018403 0.020147 -0.007382 N 8.15375 7.31758 19.79469 -0.001357 0.006311 0.000546 N 5.93 8.60171 19.77453 0.006031 0.016511 -0.004233 N 8.15375 9.88583 19.80157 -0.011384 0.001957 0.001994 N 5.93 11.16996 19.80298 0.002125 -0.004886 0.002619 N 8.15375 12.45408 19.77742 -0.000658 -0.010105 -0.004585 N 5.93 13.73821 19.79974 0.013219 0.0005 0.001783 N 8.15375 15.02233 19.76818 0.001347 -0.02051 -0.006251 C 2.89546 1.18855 27.81599 -0.001481 -0.000669 0.000511 C 3.68013 0.08348 27.65857 0.00503 -0.000394 0.000864 C 8.59658 0.0841 23.0539 0.030739 -0.027997 0.000125 C 3.43157 14.3285 28.45757 0.00142 -0.00177 0.000645 C 1.05821 15.05134 22.8009 -0.037405 -0.035194 2.3e-05 C 4.31797 15.11733 26.34458 0.006854 0.003404 -0.000448 C 3.23003 13.63901 23.98858 0.023402 0.002844 0.000622 C 2.80902 1.4025 25.33825 -0.00491 0.013031 0.000151 C 8.37189 1.18874 23.88626 -0.000943 0.029032 0.000465 C 1.88486 1.46289 24.22042 0.022949 0.025377 0.000631 C 8.59664 13.16354 23.05165 0.010124 0.0201 0.0 C 3.62632 0.32792 25.19808 0.001947 -0.014361 0.001318 C 2.13505 0.33206 23.37417 0.024707 0.001289 0.000287 C 7.38851 1.40249 27.32229 -0.002344 -0.004103 0.00035 C 6.57119 0.32787 27.4617 0.011152 0.001551 0.000174 C 2.13509 12.91559 23.37313 0.046953 -0.032063 0.000202 C 8.31266 1.46281 28.44086 -0.012356 -0.005818 0.000598 C 5.87955 15.11729 26.315 -0.004711 -0.000854 0.000924 C 1.05823 13.60586 22.80082 -0.037434 0.074929 -9.2e-05 C 3.23001 15.01812 23.98887 0.033361 0.002155 0.000133 C 2.5389 2.0746 26.64167 0.007824 0.007666 0.000385 C 1.07713 2.28041 26.85081 -0.004963 -0.005208 0.003616 C 7.30208 1.18851 24.84479 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0.000519 C 8.07418 5.21479 27.46141 -0.011768 0.00053 0.000682 C 6.58291 5.21072 29.28854 0.003941 0.002582 0.000428 C 2.94129 4.14028 25.33828 -0.001486 -0.009152 0.000608 C 2.12405 5.21492 25.19806 -0.003205 0.008247 0.000632 C 6.58293 8.03665 29.2882 0.001137 -0.001524 0.000331 C 3.86547 4.07997 24.22056 -0.015869 -0.034687 0.000407 C 1.43242 5.83496 26.34447 -0.00735 -0.003322 0.000307 C 5.50612 7.34642 29.86889 0.017847 0.002682 0.000337 C 7.6779 5.93411 28.67135 -0.000143 0.002279 0.000348 C 6.98654 3.46826 26.01855 0.010243 -0.009507 0.001722 C 5.52478 3.26251 25.80932 -0.003629 0.003164 -0.003893 C 2.85487 4.35424 27.8159 0.001781 -0.000186 0.000552 C 3.9248 8.89348 28.77436 0.007744 -0.000511 0.000353 C 3.2114 3.46819 26.64164 -0.005615 -0.007701 -0.000181 C 5.04026 3.66058 28.19157 -0.003273 0.003129 -0.000652 C 4.67316 3.26237 26.85068 0.004759 0.00381 0.004856 C 5.04034 9.58686 28.19111 -0.002286 -0.003594 -0.00195 C 6.88152 6.6238 23.21244 0.020706 9e-06 0.000417 C 2.07024 5.45932 27.65851 -0.005905 -0.000219 0.000542 C 7.30214 12.05905 24.84378 -0.003641 -0.007883 0.000178 C 6.51731 13.16403 25.00085 -0.014243 -0.002012 0.000502 C 1.6009 13.1634 29.61021 -0.006795 -0.008912 0.000619 C 6.76582 14.32852 24.20164 -0.016883 -0.003582 0.000263 C 0.2443 13.60571 29.86904 -0.019563 -0.002004 0.000502 C 5.87955 13.53965 26.3148 -0.004923 -0.001199 1.8e-05 C 6.9675 15.018 28.67156 -0.000638 -0.00181 0.000553 C 7.38865 11.84502 27.32177 -0.001322 0.004196 7.4e-05 C 1.82567 12.05874 28.7744 -0.009372 -0.000729 0.000228 C 8.31275 11.78462 28.44038 -0.01194 0.004711 0.000437 C 1.60087 0.08399 29.6105 -0.005089 0.007397 0.00068 C 6.57122 12.91954 27.46138 0.011165 -0.000736 0.000488 C 8.06249 12.91547 29.28834 0.00015 -0.001126 0.000468 C 2.80911 11.84503 25.33751 -0.011163 -0.015063 0.001775 C 3.62635 12.91967 25.19764 0.003769 0.016141 -0.000423 C 8.06247 0.3319 29.28869 -0.00514 -8.5e-05 0.000535 C 1.88493 11.78472 24.2196 0.020299 -0.017649 -0.000204 C 4.31798 13.53971 26.34434 0.005209 -0.003429 0.001412 C 0.24428 15.05117 29.86924 -0.017683 -0.002515 0.000543 C 6.9675 13.63886 28.67132 4.5e-05 0.001504 0.000395 C 7.65886 11.17301 26.01807 -0.006531 -0.005899 0.001182 C 0.22562 10.96726 25.80874 0.008975 0.008691 -0.006522 C 2.89553 12.05899 27.81553 -0.003918 -0.000419 0.000912 C 1.8256 1.18873 28.77485 -0.007645 -4.3e-05 0.0006 C 2.53901 11.17294 26.6411 0.005904 -0.006348 -0.001431 C 0.71014 11.36533 28.19105 0.001861 0.005621 -0.001274 C 1.07724 10.96712 26.85012 -0.00638 0.002715 0.007334 C 0.71006 1.88211 28.19166 0.000783 -0.003309 -0.000266 C 7.76388 14.32855 23.21406 -0.006508 0.008274 0.000261 C 3.68016 13.16407 27.65836 0.005365 0.001177 8.4e-05 C 2.85494 8.8933 27.81551 0.003194 0.000428 0.00043 C 2.07027 7.78823 27.65832 -0.005576 -0.001446 0.000423 C 6.04882 7.78885 23.05161 -0.019796 -0.033715 -8.6e-05 C 2.31883 6.62375 28.45752 -0.000196 0.002689 0.000479 C 4.69219 7.34659 22.79944 0.027863 -0.08306 9e-06 C 1.43243 7.41258 26.34425 -0.005522 0.003836 0.000437 C 2.52037 5.93426 23.98863 -0.031245 -0.005975 0.000367 C 2.94138 9.10725 25.33768 0.003365 0.009927 0.000605 C 6.27351 8.89349 23.88519 0.005078 0.032094 0.000581 C 3.86554 9.16764 24.21972 -0.022526 0.011451 0.000243 C 6.04876 5.45879 23.05362 -0.036616 0.019367 7.2e-05 C 2.12408 8.03267 25.19761 -0.001348 -0.010228 0.000436 C 3.61535 8.03681 23.37328 -0.037449 0.024677 0.00012 C 7.25689 9.10724 27.32165 0.000939 -0.005997 -0.001181 C 8.07421 8.03262 27.46117 -0.012376 -0.00054 0.000865 C 3.61531 5.21084 23.37453 -0.014244 0.007725 0.000278 C 6.33274 9.16756 28.44023 0.012131 -0.006314 0.000919 C 8.76585 7.41254 26.31455 0.00454 0.000661 -0.00012 C 4.69217 5.90111 22.80193 0.029381 0.057956 2.2e-05 C 2.52039 7.31337 23.9881 -0.023442 0.013007 0.000311 C 3.2115 9.77935 26.64113 -0.00619 0.008074 -0.000745 C 4.67327 9.98516 26.85014 0.004622 -0.005244 0.008619 C 7.34332 8.89326 24.8436 0.001399 0.009069 -0.000395 C 6.27343 4.35414 23.88609 0.010088 -0.023635 0.000586 C 6.98665 9.77929 26.01797 0.008493 0.006837 0.002469 C 5.15794 9.58684 24.46804 0.007063 0.017854 0.002168 C 5.5249 9.98504 25.8088 -0.00504 -0.005696 -0.007994 C 5.15785 3.66079 24.46878 -0.007253 -0.019009 0.001394 C 3.31686 6.62371 29.44676 -0.002709 0.001691 0.00049 C 8.12808 7.78822 25.00049 0.016964 -0.008153 0.00078 168 energy=-1497.81465993 config_type=nep2xyz pbc="T T T" virial="-19.123257386070353 0.028231766231096432 0.006587412120589167 0.028231766231096432 -27.3846849179534 0.012148214560047556 0.006587412120589167 0.012148214560047556 -3.982218953106293" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.78831 0.011774 -0.013585 -0.001026 B 2.965 0.89696 19.78739 -0.004106 0.007174 -0.001956 B 0.74125 4.74933 19.80267 0.009228 0.007996 0.002262 B 2.965 3.46521 19.79707 0.012096 0.016458 0.000854 B 0.74125 7.31758 19.79952 -0.004412 -0.005063 0.001482 B 2.965 6.03346 19.7835 0.015697 0.005872 -0.003015 B 0.74125 9.88583 19.80327 0.008078 -0.008537 0.002129 B 2.965 8.60171 19.79131 0.015461 -0.016438 -0.001016 B 0.74125 12.45408 19.77417 0.008211 -0.000398 -0.004603 B 2.965 11.16996 19.80037 0.005965 -0.001169 0.000994 B 0.74125 15.02233 19.75481 -0.002385 0.019771 -0.008487 B 2.965 13.73821 19.77796 0.003739 -0.008507 -0.00346 B 5.18875 2.18108 19.80525 -0.007195 0.000674 0.004163 B 7.4125 0.89696 19.79389 0.007754 -0.005106 0.000551 B 5.18875 4.74933 19.77862 -0.015227 0.005038 -0.003295 B 7.4125 3.46521 19.80159 0.000788 0.00873 0.002196 B 5.18875 7.31758 19.75991 -0.017329 -0.000291 -0.008328 B 7.4125 6.03346 19.78141 -0.005321 6.4e-05 -0.003191 B 5.18875 9.88583 19.78984 -0.003253 -0.016154 -0.00086 B 7.4125 8.60171 19.78577 -0.001453 -0.007657 -0.002063 B 5.18875 12.45408 19.80371 -0.00321 0.004184 0.003137 B 7.4125 11.16996 19.79801 0.006166 0.005568 0.000827 B 5.18875 15.02233 19.80469 0.001961 -0.001287 0.003198 B 7.4125 13.73821 19.78689 0.000765 0.007244 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0.8111 29.28858 -0.003048 -0.000961 0.000287 C 2.36413 12.26392 24.21948 0.008706 -0.01449 0.000575 C 4.79718 14.01891 26.34388 0.002867 -0.003957 -0.00034 C 0.72348 0.12087 29.86914 -0.01508 -0.001156 0.00039 C 7.4467 14.11806 28.6714 -0.00049 0.000833 0.000316 C 8.13806 11.65221 26.0183 -0.007688 -0.007662 -0.001247 C 0.70482 11.44646 25.80869 0.010127 0.006047 0.006008 C 3.37473 12.53819 27.81527 -0.003647 0.00041 -9.6e-05 C 2.3048 1.66793 28.77444 -0.005101 -0.00176 0.000492 C 3.01821 11.65214 26.64088 0.004458 -0.006654 0.002285 C 1.18934 11.84453 28.19101 0.002085 0.006048 0.001676 C 1.55644 11.44632 26.85028 -0.008074 0.001108 -0.005743 C 1.18926 2.36131 28.19132 0.001245 -0.004529 0.001467 C 8.24308 14.80775 23.21442 0.014768 0.00106 -5e-05 C 4.15936 13.64327 27.65795 0.00335 0.00065 0.000732 C 3.33414 9.3725 27.81545 0.002774 -0.001013 0.001287 C 2.54947 8.26743 27.65801 -0.001746 -0.000556 -9.8e-05 C 6.52802 8.26805 23.05403 -0.023683 -0.045264 -5.8e-05 C 2.79803 7.10295 28.45713 -0.000709 0.001132 0.001082 C 5.17139 7.82579 22.80083 0.047359 -0.078982 4.8e-05 C 1.91163 7.89178 26.3439 -0.002913 0.004149 0.001514 C 2.99957 6.41346 23.98756 -0.037848 -0.00629 0.000351 C 3.42058 9.58645 25.33748 0.009275 0.012773 0.002044 C 6.75271 9.37269 23.88608 0.016102 0.030433 0.000733 C 4.34474 9.64684 24.22003 -0.009114 0.02471 -0.000162 C 6.52796 5.93799 23.05465 -0.021628 0.032608 7.7e-05 C 2.60328 8.51187 25.19705 -0.004165 -0.017459 -0.000369 C 4.09455 8.51601 23.37268 -0.046452 0.024711 0.000294 C 7.73609 9.58644 27.32216 0.001877 -0.004082 -0.000643 C 8.55341 8.51182 27.46169 -0.008694 0.001856 0.001003 C 4.09451 5.69004 23.37286 -0.043506 -0.016823 0.000351 C 6.81194 9.64676 28.44067 0.00964 -0.005009 0.000788 C 0.35005 7.89174 26.31504 0.005147 0.001203 -0.000338 C 5.17137 6.38031 22.80205 0.047583 0.07942 -2.5e-05 C 2.99959 7.79257 23.98739 -0.038807 0.012623 0.000678 C 3.6907 10.25855 26.64113 -0.006285 0.007404 -0.002037 C 5.15247 10.46436 26.85044 0.001025 -0.005283 0.008913 C 7.82252 9.37246 24.84447 0.013782 0.009921 -0.000349 C 6.75263 4.83334 23.88639 0.019848 -0.024839 0.000618 C 7.46585 10.25849 26.01855 0.009189 0.008089 0.002639 C 5.63714 10.06604 24.46858 -0.014314 0.021789 0.002404 C 6.0041 10.46424 25.80923 -0.003649 -0.004991 -0.008001 C 5.63705 4.13999 24.46886 -0.024658 -0.02369 0.000328 C 3.79606 7.10291 29.44646 -0.003633 0.000607 0.000495 C 8.60728 8.26742 25.00129 0.007535 0.006419 0.001183 168 energy=-1497.81580051 config_type=nep2xyz pbc="T T T" virial="-19.100458096068575 -0.0005988556473262879 -0.023697573472768824 -0.0005988556473262879 -27.410991791032377 0.00838397906256803 -0.023697573472768824 0.00838397906256803 -4.046638710597249" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.78254 0.003152 -0.004971 -0.002846 B 2.965 0.89696 19.77947 0.016903 0.004183 -0.003951 B 0.74125 4.74933 19.80273 0.005773 0.007891 0.00266 B 2.965 3.46521 19.80001 0.015792 -0.00129 0.002178 B 0.74125 7.31758 19.79843 -0.005391 0.000367 0.001806 B 2.965 6.03346 19.7971 0.015487 0.007248 0.000665 B 0.74125 9.88583 19.80273 0.004571 -0.008051 0.002854 B 2.965 8.60171 19.79693 0.01672 -0.007882 0.000665 B 0.74125 12.45408 19.78305 0.003859 0.00561 -0.002959 B 2.965 11.16996 19.79999 0.015839 0.000649 0.00214 B 0.74125 15.02233 19.75391 -0.007437 6.5e-05 -0.009689 B 2.965 13.73821 19.77986 0.015911 -0.004245 -0.004007 B 5.18875 2.18108 19.80387 -0.013548 -0.00526 0.003994 B 7.4125 0.89696 19.79317 0.000647 -0.005524 -0.000318 B 5.18875 4.74933 19.78403 -0.007775 0.01255 -0.002097 B 7.4125 3.46521 19.7991 0.000332 0.003058 0.001007 B 5.18875 7.31758 19.76114 -0.026448 0.00072 -0.00896 B 7.4125 6.03346 19.77526 0.006979 -0.003418 -0.005462 B 5.18875 9.88583 19.7835 -0.00893 -0.011972 -0.002062 B 7.4125 8.60171 19.77498 0.007201 0.003537 -0.005315 B 5.18875 12.45408 19.80391 -0.012092 0.004866 0.003687 B 7.4125 11.16996 19.79912 0.000303 -0.003526 0.001081 B 5.18875 15.02233 19.80293 -0.006237 0.000335 0.003016 B 7.4125 13.73821 19.79327 -1.7e-05 0.005584 -0.00041 N 1.4825 0.89696 19.75259 -0.012454 0.006999 -0.00892 N 3.70625 2.18108 19.79632 -0.011479 -0.012127 0.00176 N 1.4825 3.46521 19.80095 -0.011573 -0.017871 0.001974 N 3.70625 4.74933 19.79568 0.01045 -0.001199 0.001077 N 1.4825 6.03346 19.80443 -0.005841 0.000936 0.004032 N 3.70625 7.31758 19.78311 0.002477 9.3e-05 -0.004009 N 1.4825 8.60171 19.80435 -0.004719 -0.00059 0.004187 N 3.70625 9.88583 19.79532 0.010124 0.002459 0.001001 N 1.4825 11.16996 19.80111 -0.011577 0.016405 0.002103 N 3.70625 12.45408 19.79649 -0.010216 0.013321 0.001598 N 1.4825 13.73821 19.75327 -0.012505 -0.006173 -0.008951 N 3.70625 15.02233 19.78912 -0.016146 -0.000149 -0.002768 N 5.93 0.89696 19.805 0.013847 -0.001922 0.004786 N 8.15375 2.18108 19.79428 0.00895 -0.005176 -0.000596 N 5.93 3.46521 19.80107 0.002958 0.014846 0.002346 N 8.15375 4.74933 19.79508 -0.013836 0.013029 -0.000107 N 5.93 6.03346 19.75446 0.004192 -0.020588 -0.008943 N 8.15375 7.31758 19.77894 -0.006074 -0.00098 -0.004759 N 5.93 8.60171 19.75384 0.006424 0.021116 -0.008747 N 8.15375 9.88583 19.79502 -0.014697 -0.012376 5.9e-05 N 5.93 11.16996 19.80091 0.002854 -0.016279 0.002286 N 8.15375 12.45408 19.79457 0.009567 0.005751 -0.000564 N 5.93 13.73821 19.80507 0.012672 0.002393 0.004527 N 8.15375 15.02233 19.77552 0.022736 -0.000743 -0.005737 C 3.61426 1.90735 27.81549 -0.002304 -0.001483 0.000202 C 4.39893 0.80228 27.65804 0.001289 -0.000204 0.000645 C 0.42038 0.8029 23.05352 0.006828 -0.022783 0.000152 C 4.15037 15.0473 28.45713 -0.000475 0.000226 0.000376 C 1.77701 0.36064 22.79954 -0.03653 -0.061563 -0.000151 C 5.03677 0.42663 26.34392 0.00265 0.004232 1.7e-05 C 3.94883 14.35781 23.98727 0.033695 -0.011346 0.000413 C 3.52782 2.1213 25.33755 -0.005679 0.011073 -0.000423 C 0.19569 1.90754 23.88609 -0.007326 0.010153 6.4e-05 C 2.60366 2.18169 24.21996 0.005893 0.018375 0.000551 C 0.42044 13.88234 23.05356 0.008301 0.024541 0.000172 C 4.34512 1.04672 25.19705 0.001563 -0.016979 0.0007 C 2.85385 1.05086 23.37259 0.047225 0.017695 0.000241 C 8.10731 2.12129 27.32213 9.8e-05 -0.005293 0.001462 C 7.28999 1.04667 27.46167 0.00841 0.000201 -0.000221 C 2.85389 13.63439 23.37259 0.046082 -0.016765 0.00028 C 0.13646 2.18161 28.44071 -0.013024 -0.004421 -6.1e-05 C 6.59835 0.42659 26.31498 -0.007346 0.001112 0.000873 C 1.77703 14.32466 22.79955 -0.03698 0.058489 -0.000163 C 3.94881 0.32742 23.98729 0.032895 0.010983 0.000284 C 3.2577 2.7934 26.64113 0.005527 0.006778 0.001839 C 1.79593 2.99921 26.85063 -0.006374 -0.002324 -0.005718 C 8.02088 1.90731 24.84448 -0.01516 0.013508 0.000603 C 0.19577 12.77769 23.88606 -0.007529 -0.011206 6.8e-05 C 8.37755 2.79334 26.01864 -0.0087 0.008583 -0.001389 C 1.31126 2.60089 24.46859 0.012534 0.026873 -0.001249 C 0.9443 2.99909 25.80909 0.007843 -0.004186 0.006527 C 1.31135 12.08434 24.46853 0.011512 -0.026816 -0.001796 C 3.15234 15.04726 29.44643 0.002855 0.000195 0.00051 C 7.23612 0.80227 25.00125 -0.005837 0.003052 -5.6e-05 C 8.06206 5.0731 24.84455 0.015917 -0.012961 4e-05 C 8.84689 6.17808 25.00143 0.005568 -0.008811 0.000618 C 4.8683 6.17745 29.61012 0.00412 -0.006234 0.000617 C 8.59838 7.34257 24.20251 0.040385 0.00046 0.000163 C 6.2249 6.61976 29.86921 0.015061 -0.00022 0.0005 C 0.58965 6.5537 26.31512 0.005035 -0.000579 3.9e-05 C 8.3967 8.03205 28.67163 5.5e-05 0.000327 0.000629 C 7.97555 4.85907 27.32214 0.001355 0.005144 -2.7e-05 C 4.64353 5.07279 28.77435 0.004096 0.001077 0.000489 C 7.05145 4.79867 28.44068 0.012155 0.005278 0.000575 C 4.86833 8.50754 29.61018 0.003931 0.007089 0.000666 C 8.79298 5.93359 27.46173 -0.008494 -0.001199 0.000671 C 7.30171 5.92952 29.28862 0.001735 -0.000596 0.000519 C 3.66009 4.85908 25.33733 0.00939 -0.013157 0.000747 C 2.84285 5.93372 25.19683 -0.004315 0.019631 0.000415 C 7.30173 8.75545 29.28866 0.002479 0.000203 0.000596 C 4.58427 4.79877 24.21989 -0.005764 -0.023821 0.000321 C 2.15122 6.55376 26.34381 -0.002637 -0.004254 0.000713 C 6.22492 8.06522 29.86924 0.01461 0.000138 0.000512 C 8.3967 6.65291 28.67161 1.5e-05 -4.4e-05 0.000459 C 7.70534 4.18706 26.0186 0.007624 -0.008767 0.001582 C 6.24358 3.98131 25.80913 -0.004919 0.00493 -0.00421 C 3.57367 5.07304 27.81536 0.002632 0.001245 0.000601 C 4.6436 9.61228 28.77448 0.003841 -0.002371 0.000448 C 3.9302 4.18699 26.64104 -0.005843 -0.006742 -0.000531 C 5.75906 4.37938 28.19131 -0.002498 0.003816 -0.000642 C 5.39196 3.98117 26.85043 0.002436 0.004329 0.005079 C 5.75914 10.30566 28.19145 -0.001991 -0.003258 -0.000802 C 7.60032 7.3426 23.21507 -0.027524 -0.000686 0.000279 C 2.78904 6.17812 27.65791 -0.001436 -0.000128 0.000481 C 8.02094 12.77785 24.84446 -0.016155 -0.013401 0.000507 C 7.23611 13.88283 25.00124 -0.00494 -0.004062 0.000213 C 2.3197 13.8822 29.61016 -0.0037 -0.007033 0.000335 C 7.48462 15.04732 24.20207 -0.033758 0.000518 0.00045 C 0.9631 14.32451 29.86912 -0.014609 0.000827 0.000438 C 6.59835 14.25845 26.31499 -0.007168 -0.000349 2.3e-05 C 7.6863 0.3273 28.67154 -0.000968 -0.000642 0.000482 C 8.10745 12.56382 27.32208 -0.000395 0.004926 0.001089 C 2.54447 12.77754 28.7744 -0.004156 0.000637 0.000565 C 0.13655 12.50342 28.44067 -0.013056 0.004646 0.000114 C 2.31967 0.80279 29.61016 -0.003551 0.0079 0.000357 C 7.29002 13.63834 27.46164 0.008384 0.000442 0.000552 C 8.78129 13.63427 29.28861 -0.002962 0.000384 0.0003 C 3.52791 12.56383 25.33748 -0.00532 -0.01059 -0.000383 C 4.34515 13.63847 25.19702 0.001041 0.016503 0.000294 C 8.78127 1.0507 29.2886 -0.003202 -0.000358 0.000353 C 2.60373 12.50352 24.21989 0.006488 -0.01793 0.000549 C 5.03678 14.25851 26.3439 0.002625 -0.004404 0.000697 C 0.96308 0.36047 29.86912 -0.014348 -0.000765 0.000433 C 7.6863 14.35766 28.67156 -0.000914 0.000965 0.00027 C 8.37766 11.89181 26.01859 -0.008106 -0.008726 -0.001463 C 0.94442 11.68606 25.80899 0.00788 0.004258 0.008412 C 3.61433 12.77779 27.81542 -0.002406 0.000497 0.00021 C 2.5444 1.90753 28.77446 -0.004081 -0.00158 0.000522 C 3.25781 11.89174 26.64106 0.005776 -0.007204 0.002104 C 1.42894 12.08413 28.19129 0.00286 0.005493 0.002243 C 1.79604 11.68592 26.85055 -0.006842 0.00228 -0.007445 C 1.42886 2.60091 28.19136 0.002551 -0.004714 0.00192 C 8.48268 15.04735 23.21449 0.017145 0.000162 5e-05 C 4.39896 13.88287 27.65801 0.001546 0.000174 0.000442 C 3.57374 9.6121 27.81547 0.002195 -0.001829 0.000618 C 2.78907 8.50703 27.65796 -0.001376 7e-05 0.000623 C 6.76762 8.50765 23.05416 -0.009678 -0.033377 0.00015 C 3.03763 7.34255 28.45706 -0.000425 0.000192 0.000522 C 5.41099 8.06539 22.80085 0.04551 -0.072498 -2.9e-05 C 2.15123 8.13138 26.34385 -0.00288 0.004524 0.00015 C 3.23917 6.65306 23.98715 -0.038107 -0.011259 0.000422 C 3.66018 9.82605 25.33745 0.00978 0.013395 0.000686 C 6.99231 9.61229 23.88629 0.014544 0.020506 0.000411 C 4.58434 9.88644 24.22002 -0.004646 0.024983 0.000338 C 6.76756 6.17759 23.05408 -0.009952 0.035378 9e-06 C 2.84288 8.75147 25.1969 -0.005071 -0.019712 0.000763 C 4.33415 8.75561 23.37239 -0.053091 0.024095 0.000225 C 7.97569 9.82604 27.32225 0.000797 -0.005822 0.000534 C 8.79301 8.75142 27.4618 -0.008446 0.001853 -1.5e-05 C 4.33411 5.92964 23.37232 -0.052556 -0.024337 0.000429 C 7.05154 9.88636 28.44079 0.012144 -0.004893 0.000326 C 0.58965 8.13134 26.31514 0.00482 0.001759 0.000965 C 5.41097 6.61991 22.8007 0.045168 0.070833 -3.9e-05 C 3.23919 8.03217 23.9872 -0.037771 0.01151 0.000325 C 3.9303 10.49815 26.64116 -0.005709 0.006468 -0.000657 C 5.39207 10.70396 26.85058 0.002169 -0.004532 0.00581 C 8.06212 9.61206 24.84463 0.015577 0.012547 0.000262 C 6.99223 5.07294 23.88619 0.014276 -0.021394 0.000503 C 7.70545 10.49809 26.01871 0.007759 0.008467 0.001275 C 5.87674 10.30564 24.46869 -0.018076 0.026386 0.001627 C 6.2437 10.70384 25.80928 -0.005363 -0.005014 -0.004879 C 5.87665 4.37959 24.46856 -0.016866 -0.02677 0.001486 C 4.03566 7.34251 29.44641 -0.003594 5.4e-05 0.000611 C 8.84688 8.50702 25.00148 0.006532 0.007322 0.000305 168 energy=-1497.81546199 config_type=nep2xyz pbc="T T T" virial="-19.096907737587998 -0.002352647185924703 -0.03037053640011889 -0.002352647185924703 -27.398073619211477 0.010651075441731836 -0.03037053640011889 0.010651075441731836 -4.030555158926201" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.78197 -0.000111 -0.004223 -0.003113 B 2.965 0.89696 19.7745 0.025303 0.00336 -0.005484 B 0.74125 4.74933 19.8033 0.00232 0.004968 0.003293 B 2.965 3.46521 19.7993 0.018285 -0.012302 0.002147 B 0.74125 7.31758 19.79786 -0.004974 0.002513 0.001677 B 2.965 6.03346 19.80102 0.015083 0.003512 0.002283 B 0.74125 9.88583 19.80128 0.001378 -0.005822 0.002621 B 2.965 8.60171 19.79805 0.015085 -0.003074 0.001179 B 0.74125 12.45408 19.78727 0.005679 0.009554 -0.001865 B 2.965 11.16996 19.80014 0.017741 0.002086 0.002415 B 0.74125 15.02233 19.75742 -0.006555 -0.001603 -0.008973 B 2.965 13.73821 19.78044 0.016997 0.001068 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25.80894 0.007995 0.002677 0.008519 C 4.09353 13.25699 27.81559 -0.002405 -0.000129 0.000295 C 3.0236 2.38673 28.7746 -0.006643 -0.000704 0.000633 C 3.73701 12.37094 26.64126 0.006393 -0.009055 0.001768 C 1.90814 12.56333 28.1913 0.001534 0.005337 0.002583 C 2.27524 12.16512 26.85052 -0.008538 0.004515 -0.00761 C 1.90806 3.08011 28.19142 0.001728 -0.003729 0.001323 C 0.06688 0.11705 23.21342 0.000549 0.006601 -8.3e-05 C 4.87816 14.36207 27.65822 0.00329 -0.000135 0.000666 C 4.05294 10.0913 27.81563 0.00168 -0.001494 0.000349 C 3.26827 8.98623 27.6583 -0.003367 -0.000101 0.000674 C 7.24682 8.98685 23.05244 0.007083 -0.008788 -2.7e-05 C 3.51683 7.82175 28.4574 -0.001414 0.000738 0.000479 C 5.89019 8.54459 22.80094 0.031329 -0.074487 -0.000171 C 2.63043 8.61058 26.34423 -0.004053 0.003797 -4.3e-05 C 3.71837 7.13226 23.98822 -0.03978 -0.004865 0.000518 C 4.13938 10.30525 25.33764 0.008409 0.01413 -0.000285 C 7.47151 10.09149 23.88586 0.001913 0.019605 0.000625 C 5.06354 10.36564 24.2199 -0.009646 0.021248 0.000698 C 7.24676 6.65679 23.05294 -0.017228 0.027278 0.000258 C 3.32208 9.23067 25.19742 -0.005326 -0.01743 0.000971 C 4.81335 9.23481 23.3728 -0.051464 0.028111 0.000134 C 8.45489 10.30524 27.32204 -9.2e-05 -0.004637 -0.000393 C 0.37721 9.23062 27.46156 -0.010609 0.000648 0.000712 C 4.81331 6.40884 23.37367 -0.031817 -0.011266 0.000333 C 7.53074 10.36556 28.44064 0.014091 -0.004319 0.000641 C 1.06885 8.61054 26.31493 0.006299 0.001795 0.000166 C 5.89017 7.09911 22.80043 0.031232 0.038135 -0.000105 C 3.71839 8.51137 23.9881 -0.027642 -0.004613 0.00022 C 4.4095 10.97735 26.64125 -0.004098 0.00491 0.000583 C 5.87127 11.18316 26.85052 0.006665 -0.001295 0.001519 C 8.54132 10.09126 24.84413 0.006642 0.013963 -0.000237 C 7.47143 5.55214 23.88591 -0.002434 -0.02554 0.000317 C 8.18465 10.97729 26.01842 0.00725 0.007099 0.001463 C 6.35594 10.78484 24.46842 -0.003403 0.029932 0.000326 C 6.7229 11.18304 25.80905 -0.008787 -0.007342 -0.000793 C 6.35585 4.85879 24.46839 0.009921 -0.024717 -0.00186 C 4.51486 7.82171 29.44665 -0.002966 6.8e-05 0.000608 C 0.43108 8.98622 25.00107 0.012366 8e-05 0.000789 168 energy=-1497.8137452 config_type=nep2xyz pbc="T T T" virial="-19.142164114364512 0.014030332308787318 -0.051972115107245705 0.014030332308787318 -27.371296216695317 0.018521749663734478 -0.051972115107245705 0.018521749663734478 -3.984101070855033" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.7857 0.002675 -0.013283 -0.001347 B 2.965 0.89696 19.76454 0.017775 0.006849 -0.00659 B 0.74125 4.74933 19.80411 0.000725 -0.004324 0.003331 B 2.965 3.46521 19.79356 0.018852 -0.02558 0.000328 B 0.74125 7.31758 19.79479 -0.001844 0.00393 0.000244 B 2.965 6.03346 19.80338 0.015189 -0.0012 0.002356 B 0.74125 9.88583 19.79607 -0.002531 -0.00358 0.000296 B 2.965 8.60171 19.79826 0.010529 -0.001054 0.000427 B 0.74125 12.45408 19.79506 0.010686 0.016223 0.000499 B 2.965 11.16996 19.80161 0.016727 0.002112 0.001741 B 0.74125 15.02233 19.77245 0.001199 0.015542 -0.004592 B 2.965 13.73821 19.77979 0.015099 0.011448 -0.003435 B 5.18875 2.18108 19.79409 -0.023439 -0.002464 0.000138 B 7.4125 0.89696 19.79831 -0.000318 -0.006106 0.001195 B 5.18875 4.74933 19.7935 0.002211 0.0104 -0.000359 B 7.4125 3.46521 19.80212 -0.000139 -0.007078 0.002449 B 5.18875 7.31758 19.76648 -0.006807 -0.01706 -0.006401 B 7.4125 6.03346 19.77999 -0.005694 -0.00502 -0.003617 B 5.18875 9.88583 19.77748 -0.004085 6.6e-05 -0.004027 B 7.4125 8.60171 19.7583 0.010952 0.001641 -0.007819 B 5.18875 12.45408 19.80222 -0.008984 0.007278 0.001326 B 7.4125 11.16996 19.79337 -0.001982 -0.002495 -0.000953 B 5.18875 15.02233 19.79088 -0.024432 0.002171 -0.000659 B 7.4125 13.73821 19.8009 0.001866 0.01628 0.002093 N 1.4825 0.89696 19.75659 -0.033922 -0.018709 -0.006641 N 3.70625 2.18108 19.77633 -0.001048 0.010208 -0.003192 N 1.4825 3.46521 19.79867 -0.003409 -0.005404 0.001543 N 3.70625 4.74933 19.80127 0.000283 0.005089 0.002015 N 1.4825 6.03346 19.80647 -0.011134 0.008081 0.004166 N 3.70625 7.31758 19.79252 0.021153 0.00996 -0.001329 N 1.4825 8.60171 19.80082 -0.009068 -0.001533 0.001569 N 3.70625 9.88583 19.79495 0.012831 -0.003187 -9.4e-05 N 1.4825 11.16996 19.80323 -0.011975 -0.002171 0.002643 N 3.70625 12.45408 19.79815 -0.009488 0.008554 0.000772 N 1.4825 13.73821 19.77519 -0.000616 -0.019969 -0.00407 N 3.70625 15.02233 19.7664 0.019022 -0.00191 -0.005863 N 5.93 0.89696 19.7989 0.007283 0.000809 0.001043 N 8.15375 2.18108 19.79864 0.006796 0.002624 0.001732 N 5.93 3.46521 19.80155 -0.000293 0.002687 0.00202 N 8.15375 4.74933 19.79946 -0.005956 0.018568 0.001805 N 5.93 6.03346 19.77154 0.002602 -0.003484 -0.005568 N 8.15375 7.31758 19.7704 -0.011907 0.017968 -0.005783 N 5.93 8.60171 19.74155 -0.001025 0.015543 -0.009342 N 8.15375 9.88583 19.7786 -0.003699 -0.008633 -0.003999 N 5.93 11.16996 19.79575 0.007465 -0.022872 -0.001199 N 8.15375 12.45408 19.80202 0.001952 -0.010832 0.001947 N 5.93 13.73821 19.80313 -0.001184 -0.001063 0.002737 N 8.15375 15.02233 19.79069 0.003482 -0.004053 -0.000279 C 4.33306 2.62615 27.81586 -0.001881 -0.000833 0.000272 C 5.11773 1.52108 27.65848 0.005587 0.000306 0.000661 C 1.13918 1.5217 23.05251 0.014068 -0.008505 0.000195 C 4.86917 0.3566 28.45751 0.001056 -0.000802 0.000514 C 2.49581 1.07944 22.80078 -0.012183 -0.069219 2.3e-05 C 5.75557 1.14543 26.34443 0.0074 0.003598 -0.00014 C 4.66763 15.07661 23.98835 0.032625 -0.009036 0.000483 C 4.24662 2.8401 25.33817 -0.001187 0.009319 -0.000465 C 0.91449 2.62634 23.88564 -0.01038 0.015109 0.000264 C 3.32246 2.90049 24.22031 0.016758 0.031506 0.000723 C 1.13924 14.60114 23.05175 0.029577 0.031857 7.8e-05 C 5.06392 1.76552 25.19794 0.002221 -0.007384 0.000982 C 3.57265 1.76966 23.37412 0.013263 -0.003558 0.000297 C 8.82611 2.84009 27.32183 -0.000955 -0.007235 0.000978 C 8.00879 1.76547 27.46129 0.011837 0.000687 -8.5e-05 C 3.57269 14.35319 23.37403 0.023593 -0.018495 0.000173 C 0.85526 2.90041 28.44046 -0.012435 -0.006047 0.000159 C 7.31715 1.14539 26.31457 -0.002401 0.000307 0.000777 C 2.49583 15.04346 22.80128 -0.031439 0.076241 2e-06 C 4.66761 1.04622 23.98843 0.030626 0.005718 0.00019 C 3.9765 3.5122 26.64154 0.005207 0.006243 0.001606 C 2.51473 3.71801 26.85061 -0.008104 -0.004514 -0.004358 C 8.73968 2.62611 24.84392 -0.001494 0.017554 0.000389 C 0.91457 13.49649 23.88527 -0.005788 -0.038064 0.00045 C 0.20135 3.51214 26.01833 -0.010255 0.008311 -0.000663 C 2.03006 3.31969 24.46857 0.006735 0.018619 -0.00099 C 1.6631 3.71789 25.80903 0.008042 -0.004236 0.00526 C 2.03015 12.80314 24.46812 -0.012607 -0.017933 0.001028 C 3.87114 0.35656 29.44676 0.002789 -0.000888 0.000443 C 7.95492 1.52107 25.00055 -0.013649 -0.007295 0.00021 C 8.78086 5.7919 24.84462 0.021434 -0.000555 0.00057 C 0.67069 6.89688 25.00132 0.004 -0.01749 0.000369 C 5.5871 6.89625 29.61048 0.004792 -0.006596 0.00055 C 0.42218 8.06137 24.20161 0.016778 0.006427 0.000649 C 6.9437 7.33856 29.86926 0.017516 0.002014 0.000535 C 1.30845 7.2725 26.31504 0.005927 0.001664 -1.8e-05 C 0.2205 8.75085 28.6714 -0.000535 -0.001207 0.000583 C 8.69435 5.57787 27.32214 0.001755 0.00332 0.000439 C 5.36233 5.79159 28.77474 0.006573 -0.001631 0.000671 C 7.77025 5.51747 28.44073 0.013814 0.006399 0.000526 C 5.58713 9.22634 29.6103 0.00591 0.01007 0.000428 C 0.61678 6.65239 27.46166 -0.011372 0.000511 0.000831 C 8.02051 6.64832 29.28866 0.002796 0.000416 0.000469 C 4.37889 5.57788 25.33823 0.002904 -0.014412 0.000425 C 3.56165 6.65252 25.19816 -0.001984 0.015106 0.000228 C 8.02053 9.47425 29.28845 0.000177 7.6e-05 0.000384 C 5.30307 5.51757 24.22044 -0.025964 -0.025239 0.000485 C 2.87002 7.27256 26.34463 -0.006715 -0.003121 0.000987 C 6.94372 8.78402 29.86916 0.017926 -0.000215 0.000496 C 0.2205 7.37171 28.67159 -0.00065 0.001746 0.000293 C 8.42414 4.90586 26.01859 0.007574 -0.008042 8.6e-05 C 6.96238 4.70011 25.80912 -0.008349 0.003707 0.00341 C 4.29247 5.79184 27.81591 0.002476 -0.001719 0.000525 C 5.3624 10.33108 28.77456 0.007748 -0.000792 0.000648 C 4.649 4.90579 26.64158 -0.007694 -0.009096 0.001085 C 6.47786 5.09818 28.19149 -0.002461 0.005421 0.001312 C 6.11076 4.69997 26.85066 0.009232 0.004384 -0.002297 C 6.47794 11.02446 28.19122 -0.003015 -0.006519 0.0019 C 8.31912 8.0614 23.21432 0.00185 -0.002143 0.000126 C 3.50784 6.89692 27.65861 -0.00561 0.001466 0.000525 C 8.73974 13.49665 24.84369 -0.003634 -0.011169 -0.0001 C 7.95491 14.60163 25.00055 -0.013706 0.001641 0.000651 C 3.0385 14.601 29.61024 -0.005802 -0.007579 0.000486 C 8.20342 0.35662 24.20112 -0.020723 0.002378 6.5e-05 C 1.6819 15.04331 29.86893 -0.020488 -0.001669 0.000377 C 7.31715 14.97725 26.31457 -0.003458 0.000565 -0.000272 C 8.4051 1.0461 28.6712 0.000484 -0.001061 0.000473 C 8.82625 13.28262 27.32168 -0.001277 0.005745 -0.000348 C 3.26327 13.49634 28.77447 -0.009223 -0.001661 0.000263 C 0.85535 13.22222 28.44029 -0.011423 0.00555 0.000564 C 3.03847 1.52159 29.61034 -0.005943 0.00879 0.000398 C 8.00882 14.35714 27.46121 0.011791 -0.00049 0.000835 C 0.60509 14.35307 29.28827 -0.002429 0.001493 0.000408 C 4.24671 13.28263 25.33795 -0.003207 -0.00974 0.000891 C 5.06395 14.35727 25.1978 0.000858 0.011415 7.6e-05 C 0.60507 1.7695 29.28833 -0.005035 -0.000232 0.000324 C 3.32253 13.22232 24.22011 0.024298 -0.015821 0.00017 C 5.75558 14.97731 26.34435 0.006762 -0.003225 0.000938 C 1.68188 1.07927 29.86897 -0.020196 0.000969 0.000418 C 8.4051 15.07646 28.67118 -0.000215 0.001501 0.000185 C 0.20146 12.61061 26.01806 -0.00805 -0.006658 0.001495 C 1.66322 12.40486 25.80884 0.006316 0.004271 -0.002956 C 4.33313 13.49659 27.81563 -0.003422 -0.001089 0.00069 C 3.2632 2.62633 28.77467 -0.008575 0.000348 0.000588 C 3.97661 12.61054 26.64129 0.006851 -0.009419 -0.000602 C 2.14774 12.80293 28.19118 0.001855 0.004755 -0.000472 C 2.51484 12.40472 26.85024 -0.007254 0.004839 0.003706 C 2.14766 3.31971 28.19138 0.001445 -0.00349 0.001633 C 0.30648 0.35665 23.2126 -0.007624 0.009713 0.000294 C 5.11776 14.60167 27.65839 0.005929 0.000712 0.000161 C 4.29254 10.3309 27.81569 0.002318 -0.000775 0.000121 C 3.50787 9.22583 27.65849 -0.005524 -0.000587 0.000898 C 7.48642 9.22645 23.05191 -0.000574 -0.010546 0.000277 C 3.75643 8.06135 28.45763 -0.000407 0.001363 0.000436 C 6.12979 8.78419 22.80157 0.030105 -0.083126 -0.000127 C 2.87003 8.85018 26.34446 -0.005695 0.003419 -8.9e-05 C 3.95797 7.37186 23.98905 -0.041265 0.004818 0.000577 C 4.37898 10.54485 25.33774 0.009781 0.01522 -0.000504 C 7.71111 10.33109 23.88564 -0.000127 0.029155 2.2e-05 C 5.30314 10.60524 24.21988 -0.016253 0.024956 0.000637 C 7.48636 6.89639 23.05305 -0.029576 0.024172 0.000313 C 3.56168 9.47027 25.19777 -0.006576 -0.016671 0.000991 C 5.05295 9.47441 23.37329 -0.046257 0.029329 0.000316 C 8.69449 10.54484 27.32192 0.000154 -0.004546 0.001352 C 0.61681 9.47022 27.46148 -0.012446 0.001016 -0.000154 C 5.05291 6.64844 23.37451 -0.020678 -0.003208 0.000346 C 7.77034 10.60516 28.44056 0.014479 -0.005529 7.8e-05 C 1.30845 8.85014 26.31486 0.006452 0.001706 0.001087 C 6.12977 7.33871 22.80188 0.031358 0.040098 -8e-06 C 3.95799 8.75097 23.98874 -0.028562 -0.012106 0.000223 C 4.6491 11.21695 26.64127 -0.00501 0.005616 0.001968 C 6.11087 11.42276 26.8505 0.010025 -0.000802 -0.005217 C 8.78092 10.33086 24.84396 0.004643 0.009623 0.000777 C 7.71103 5.79174 23.88601 -0.002901 -0.032789 0.000242 C 8.42425 11.21689 26.01828 0.006731 0.005552 -0.00124 C 6.59554 11.02444 24.46826 0.004182 0.026396 -0.001008 C 6.9625 11.42264 25.80885 -0.012553 -0.007073 0.005978 C 6.59545 5.09839 24.46849 0.012334 -0.022935 -0.000207 C 4.75446 8.06131 29.44684 -0.002952 0.000907 0.0007 C 0.67068 9.22582 25.00094 0.01405 -0.000283 -6.5e-05 168 energy=-1497.81338462 config_type=nep2xyz pbc="T T T" virial="-19.15418400271442 0.016468530301472918 -0.050004446551745046 0.016468530301472918 -27.385454875214243 0.011378257299199472 -0.050004446551745046 0.011378257299199472 -3.9619861873073408" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.78809 0.007024 -0.018537 -0.000625 B 2.965 0.89696 19.76129 0.005798 0.006564 -0.007048 B 0.74125 4.74933 19.80319 0.003697 -0.007598 0.003354 B 2.965 3.46521 19.7891 0.016912 -0.025463 -0.000475 B 0.74125 7.31758 19.79191 -0.00035 0.004095 -0.000787 B 2.965 6.03346 19.8033 0.015438 -0.000372 0.002256 B 0.74125 9.88583 19.79249 -0.001373 -0.003977 -0.000765 B 2.965 8.60171 19.79835 0.00821 -0.001697 0.000197 B 0.74125 12.45408 19.79825 0.010447 0.015205 0.001476 B 2.965 11.16996 19.80238 0.015852 0.000198 0.001728 B 0.74125 15.02233 19.78114 0.006373 0.021616 -0.002539 B 2.965 13.73821 19.78032 0.014349 0.016375 -0.002929 B 5.18875 2.18108 19.79043 -0.023131 0.000197 -0.000545 B 7.4125 0.89696 19.8015 0.002741 -0.00322 0.002497 B 5.18875 4.74933 19.79609 0.001828 0.006945 1e-05 B 7.4125 3.46521 19.80368 0.000296 -0.01007 0.003496 B 5.18875 7.31758 19.77089 -9.6e-05 -0.01231 -0.006231 B 7.4125 6.03346 19.78208 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3.75174 26.01815 -0.010493 0.008072 0.003345 C 2.26966 3.55929 24.46831 -0.011048 0.017175 0.001584 C 1.9027 3.95749 25.80902 0.004312 -0.004239 -0.007279 C 2.26975 13.04274 24.46783 -0.022164 -0.017957 0.001006 C 4.11074 0.59616 29.44676 0.002793 -0.000888 0.000693 C 8.19452 1.76067 25.00032 -0.013888 -0.006331 0.001399 C 0.12546 6.0315 24.8446 0.018216 -0.001651 0.00094 C 0.91029 7.13648 25.00126 0.00819 -0.011974 -0.000318 C 5.8267 7.13585 29.61059 0.00519 -0.005982 0.000793 C 0.66178 8.30097 24.2016 0.012624 0.002522 0.00068 C 7.1833 7.57816 29.86933 0.016604 0.00138 0.00065 C 1.54805 7.5121 26.31501 0.00454 0.002112 0.002733 C 0.4601 8.99045 28.67148 -0.000402 -0.001488 0.000255 C 0.03895 5.81747 27.32215 0.002808 0.003881 0.001375 C 5.60193 6.03119 28.77486 0.006331 -0.001616 0.000636 C 8.00985 5.75707 28.44078 0.013437 0.006719 0.000361 C 5.82673 9.46594 29.61041 0.006024 0.009401 0.000799 C 0.85638 6.89199 27.46167 -0.011611 4e-05 -0.000865 C 8.26011 6.88792 29.28869 0.001927 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8.19451 14.84123 25.0002 -0.016304 0.006569 0.000244 C 3.2781 14.8406 29.61016 -0.006271 -0.008462 0.000337 C 8.44302 0.59622 24.20064 -0.012478 -0.000777 -0.000692 C 1.9215 15.28291 29.86877 -0.021015 -0.002585 0.000229 C 7.55675 15.21685 26.31432 -0.002266 0.001287 0.001739 C 8.6447 1.2857 28.6711 4.2e-05 -0.001061 -0.000198 C 0.17085 13.52222 27.32146 1.9e-05 0.006091 -0.00019 C 3.50287 13.73594 28.77438 -0.009923 -0.001565 0.000693 C 1.09495 13.46182 28.4401 -0.012427 0.005511 0.000466 C 3.27807 1.76119 29.61028 -0.006299 0.009003 0.000432 C 8.24842 14.59674 27.461 0.012639 0.00045 -0.000713 C 0.84469 14.59267 29.2881 -0.002584 0.001859 0.000274 C 4.48631 13.52223 25.33797 -0.000696 -0.008252 -0.002451 C 5.30355 14.59687 25.19793 -0.000567 0.007004 0.002684 C 0.84467 2.0091 29.28823 -0.004215 -0.001192 0.000276 C 3.56213 13.46192 24.21981 0.029559 -0.009143 0.00148 C 5.99518 15.21691 26.34445 0.008232 -0.002654 -0.001981 C 1.92148 1.31887 29.86884 -0.019714 0.000344 0.000273 C 8.6447 15.31606 28.671 0.000756 0.00178 0.000587 C 0.44106 12.85021 26.01782 -0.008025 -0.006527 0.001477 C 1.90282 12.64446 25.80862 0.006446 0.005109 -0.005164 C 4.57273 13.73619 27.81562 -0.003277 -0.001101 -0.000736 C 3.5028 2.86593 28.77463 -0.008937 -7.5e-05 0.000687 C 4.21621 12.85014 26.64122 0.007208 -0.008663 0.002002 C 2.38734 13.04253 28.19101 0.001125 0.004586 -0.001374 C 2.75444 12.64432 26.85003 -0.007258 0.00494 0.00555 C 2.38726 3.55931 28.19135 0.0013 -0.003265 -0.002076 C 0.54608 0.59625 23.21205 -0.011648 0.007981 0.000494 C 5.35736 14.84127 27.65843 0.006614 0.000257 0.001677 C 4.53214 10.5705 27.81584 0.002567 -0.000152 0.001797 C 3.74747 9.46543 27.65864 -0.006498 -0.001044 -0.000762 C 7.72602 9.46605 23.05237 -0.017624 -0.019192 0.000193 C 3.99603 8.30095 28.45774 0.000162 0.002167 0.001082 C 6.36939 9.02379 22.80257 0.03564 -0.089589 -6e-06 C 3.10963 9.08978 26.34459 -0.005875 0.003719 0.003744 C 4.19757 7.61146 23.98945 -0.040488 0.010163 -4.8e-05 C 4.61858 10.78445 25.33791 0.011009 0.01701 0.004056 C 7.95071 10.57069 23.88575 0.002941 0.039609 0.000346 C 5.54274 10.84484 24.22019 -0.020171 0.031236 -0.00093 C 7.72596 7.13599 23.05347 -0.037444 0.025078 0.000249 C 3.80128 9.70987 25.19809 -0.007338 -0.016534 -0.002251 C 5.29255 9.71401 23.37385 -0.040495 0.026699 0.000471 C 0.03909 10.78444 27.32202 0.001617 -0.004111 -9e-05 C 0.85641 9.70982 27.46154 -0.013166 0.001642 0.001573 C 5.29251 6.88804 23.3748 -0.019759 -0.004478 0.000357 C 8.00994 10.84476 28.44065 0.012512 -0.006774 0.000714 C 1.54805 9.08974 26.31495 0.005245 0.00093 -0.001346 C 6.36937 7.57831 22.80332 0.036481 0.059462 5.1e-05 C 4.19759 8.99057 23.98915 -0.032652 -0.012326 0.001268 C 4.8887 11.45655 26.64149 -0.006361 0.00554 -0.00317 C 6.35047 11.66236 26.85051 0.006399 -0.003138 0.007436 C 0.12552 10.57046 24.84409 0.00706 0.005308 0.000398 C 7.95063 6.03134 23.88614 0.00276 -0.039598 0.000373 C 8.66385 11.45649 26.01832 0.008235 0.006675 0.001437 C 6.83514 11.26404 24.46839 0.004802 0.024163 0.002428 C 7.2021 11.66224 25.80912 -0.008423 -0.007178 -0.005964 C 6.83505 5.33799 24.46868 0.005582 -0.021596 0.001559 C 4.99406 8.30091 29.44696 -0.002756 0.000245 0.000591 C 0.91028 9.46542 25.00099 0.015066 0.002392 0.000976 168 energy=-1497.81299755 config_type=nep2xyz pbc="T T T" virial="-19.175571704404643 0.0063735351036869215 -0.041492141279035666 0.0063735351036869215 -27.416809245892118 0.010736626248492734 -0.041492141279035666 0.010736626248492734 -3.9546288179259035" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.78901 0.008935 -0.018769 -0.000474 B 2.965 0.89696 19.75864 -0.002378 0.001855 -0.007753 B 0.74125 4.74933 19.80144 0.006707 -0.008714 0.002421 B 2.965 3.46521 19.78393 0.014463 -0.020343 -0.001967 B 0.74125 7.31758 19.78883 0.000221 0.004747 -0.001892 B 2.965 6.03346 19.80305 0.014724 0.002406 0.001947 B 0.74125 9.88583 19.78901 -0.000514 -0.004557 -0.001727 B 2.965 8.60171 19.79864 0.005369 -0.001124 9.3e-05 B 0.74125 12.45408 19.80052 0.008135 0.010219 0.002117 B 2.965 11.16996 19.80296 0.01499 -0.002644 0.001843 B 0.74125 15.02233 19.78771 0.009263 0.020159 -0.000851 B 2.965 13.73821 19.78198 0.01389 0.018839 -0.002324 B 5.18875 2.18108 19.78678 -0.019134 0.003766 -0.00154 B 7.4125 0.89696 19.80395 0.005076 -0.000707 0.003518 B 5.18875 4.74933 19.79806 0.002104 0.005042 0.000304 B 7.4125 3.46521 19.80462 0.000187 -0.01061 0.003867 B 5.18875 7.31758 19.77654 0.005768 -0.001083 -0.004968 B 7.4125 6.03346 19.78387 -0.011825 -0.001816 -0.003186 B 5.18875 9.88583 19.77777 0.005902 -0.000605 -0.004907 B 7.4125 8.60171 19.75271 -0.002654 -0.000251 -0.009576 B 5.18875 12.45408 19.79893 0.000922 -0.004172 0.000361 B 7.4125 11.16996 19.78538 -0.009945 0.001178 -0.002806 B 5.18875 15.02233 19.78599 -0.018711 -0.003506 -0.001593 B 7.4125 13.73821 19.8045 0.000413 0.011543 0.003766 N 1.4825 0.89696 19.76716 -0.006464 -0.003292 -0.00562 N 3.70625 2.18108 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7.37545 29.61056 0.005651 -0.006251 0.000925 C 0.90138 8.54057 24.20183 0.013476 -0.000659 -0.001196 C 7.4229 7.81776 29.86934 0.018051 -0.000261 0.000723 C 1.78765 7.7517 26.31508 0.00421 0.001471 0.00119 C 0.6997 9.23005 28.67159 -0.000287 -0.001274 9.8e-05 C 0.27855 6.05707 27.3222 0.003 0.002637 -0.00078 C 5.84153 6.27079 28.77484 0.007454 -0.001097 0.000669 C 8.24945 5.99667 28.4408 0.012116 0.007041 0.001336 C 6.06633 9.70554 29.61051 0.00568 0.008627 0.000795 C 1.09598 7.13159 27.4617 -0.011323 -0.000297 0.000725 C 8.49971 7.12752 29.28872 0.002469 0.000426 0.000701 C 4.85809 6.05708 25.33822 0.009447 -0.014372 0.000798 C 4.04085 7.13172 25.19816 -0.008547 0.015864 0.001687 C 8.49973 9.95345 29.28868 0.001101 0.001654 0.000519 C 5.78227 5.99677 24.22062 -0.019727 -0.04232 0.000831 C 3.34922 7.75176 26.34472 -0.007162 -0.00368 -0.000472 C 7.42292 9.26322 29.8693 0.017613 -0.001102 0.000742 C 0.6997 7.85091 28.67163 4.3e-05 0.002571 0.00074 C 0.00834 5.38506 26.01858 0.009098 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0.000854 C 1.33455 13.70142 28.44012 -0.013169 0.005689 0.000442 C 3.51767 2.00079 29.61029 -0.005794 0.009858 0.000262 C 8.48802 14.83634 27.46104 0.013146 0.001227 -0.000524 C 1.08429 14.83227 29.28815 -0.002947 0.002577 0.000324 C 4.72591 13.76183 25.33798 0.000908 -0.008055 -0.002611 C 5.54315 14.83647 25.19799 -0.002417 0.006666 0.002532 C 1.08427 2.2487 29.28824 -0.003502 -0.002755 0.000247 C 3.80173 13.70152 24.21969 0.029549 -0.005183 0.001695 C 6.23478 0.04701 26.34449 0.007066 -0.002502 -0.001592 C 2.16108 1.55847 29.86889 -0.018159 0.00079 0.000259 C 8.8843 0.14616 28.67104 0.00086 0.000996 0.000457 C 0.68066 13.08981 26.01791 -0.008075 -0.006873 0.001221 C 2.14242 12.88406 25.80868 0.005461 0.005508 -0.008826 C 4.81233 13.97579 27.81566 -0.003347 -0.001181 -0.000764 C 3.7424 3.10553 28.77455 -0.009546 -0.000145 0.001016 C 4.45581 13.08974 26.64126 0.005681 -0.008071 0.001542 C 2.62694 13.28213 28.19108 0.002653 0.004555 -0.002559 C 2.99404 12.88392 26.85004 -0.006347 0.004884 0.009535 C 2.62686 3.79891 28.19125 0.001402 -0.003677 -0.001261 C 0.78568 0.83585 23.2123 -0.011809 0.002168 4.1e-05 C 5.59696 15.08087 27.65846 0.00719 0.001551 0.001858 C 4.77174 10.8101 27.81599 0.001461 0.000235 0.001506 C 3.98707 9.70503 27.65868 -0.005272 -0.000568 -0.000466 C 7.96562 9.70565 23.05354 -0.033986 -0.029664 8.5e-05 C 4.23563 8.54055 28.45774 -0.001207 0.000786 0.001608 C 6.60899 9.26339 22.80337 0.04375 -0.091 8e-05 C 3.34923 9.32938 26.34464 -0.007327 0.003849 0.002923 C 4.43717 7.85106 23.98924 -0.037337 0.00732 0.000353 C 4.85818 11.02405 25.33818 0.010908 0.015808 0.00194 C 8.19031 10.81029 23.8861 0.010185 0.043822 0.001367 C 5.78234 11.08444 24.22057 -0.020166 0.039284 0.000321 C 7.96556 7.37559 23.05381 -0.036818 0.029788 6e-06 C 4.04088 9.94947 25.19816 -0.007456 -0.015728 -0.000727 C 5.53215 9.95361 23.37423 -0.035911 0.019208 0.00047 C 0.27869 11.02404 27.32224 0.002188 -0.002698 -0.002148 C 1.09601 9.94942 27.46166 -0.012398 0.000907 0.002938 C 5.53211 7.12764 23.37442 -0.030755 -0.013204 0.000358 C 8.24954 11.08436 28.44079 0.011943 -0.006789 0.001833 C 1.78765 9.32934 26.3151 0.003499 0.000323 -0.002029 C 6.60897 7.81791 22.80363 0.043524 0.082779 0.000133 C 4.43719 9.23017 23.98918 -0.036325 -0.005814 0.001028 C 5.1283 11.69615 26.64164 -0.00728 0.006435 -0.000998 C 6.59007 11.90196 26.85077 0.006132 -0.004107 0.002416 C 0.36512 10.81006 24.84448 0.010559 0.004175 -0.000953 C 8.19023 6.27094 23.88619 0.010324 -0.043503 0.001442 C 0.00845 11.69609 26.01854 0.008991 0.007792 0.002814 C 7.07474 11.50364 24.46876 -0.002671 0.019423 0.000253 C 7.4417 11.90184 25.80932 -0.007366 -0.005733 -0.000663 C 7.07465 5.57759 24.46879 -0.003629 -0.019561 0.001564 C 5.23366 8.54051 29.44699 -0.003228 -0.000352 0.000543 C 1.14988 9.70502 25.00118 0.012878 0.005474 0.00249 168 energy=-1497.81290826 config_type=nep2xyz pbc="T T T" virial="-19.17142249027674 -0.014115883115548216 -0.025494140414747686 -0.014115883115548216 -27.430283497956957 0.014586412552733156 -0.025494140414747686 0.014586412552733156 -3.9496668711337715" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.78822 0.006643 -0.014587 -0.001195 B 2.965 0.89696 19.7561 -0.004043 -0.007421 -0.008381 B 0.74125 4.74933 19.79944 0.008015 -0.008115 0.001529 B 2.965 3.46521 19.77868 0.012007 -0.011006 -0.00332 B 0.74125 7.31758 19.78661 -0.00031 0.006326 -0.002568 B 2.965 6.03346 19.8029 0.012389 0.00577 0.001602 B 0.74125 9.88583 19.78576 -0.001482 -0.003449 -0.002669 B 2.965 8.60171 19.799 0.001442 0.001076 0.000463 B 0.74125 12.45408 19.80167 0.004807 0.001676 0.002436 B 2.965 11.16996 19.80308 0.013083 -0.005628 0.001978 B 0.74125 15.02233 19.79156 0.009115 0.012864 -7.7e-05 B 2.965 13.73821 19.78453 0.013362 0.017914 -0.001837 B 5.18875 2.18108 19.78285 -0.010934 0.007111 -0.002615 B 7.4125 0.89696 19.805 0.005472 0.00104 0.003566 B 5.18875 4.74933 19.79955 0.003593 0.003817 0.000377 B 7.4125 3.46521 19.8047 -0.001044 -0.008187 0.003619 B 5.18875 7.31758 19.78309 0.010826 0.00964 -0.003525 B 7.4125 6.03346 19.78619 -0.008821 0.005796 -0.00239 B 5.18875 9.88583 19.77955 0.011069 -0.003931 -0.004175 B 7.4125 8.60171 19.75459 -0.010714 0.001244 -0.009524 B 5.18875 12.45408 19.79751 0.006462 -0.01131 0.000238 B 7.4125 11.16996 19.78178 -0.013708 -0.000942 -0.003336 B 5.18875 15.02233 19.78593 -0.011793 -0.006084 -0.001898 B 7.4125 13.73821 19.80505 -0.002823 0.005081 0.004026 N 1.4825 0.89696 19.7696 0.009276 0.008766 -0.005869 N 3.70625 2.18108 19.75221 0.007656 0.02544 -0.008104 N 1.4825 3.46521 19.78788 0.005285 0.006648 -0.001368 N 3.70625 4.74933 19.79871 -0.009377 -0.016051 0.000371 N 1.4825 6.03346 19.8014 -0.015756 0.007036 0.001711 N 3.70625 7.31758 19.79952 0.005084 -0.000419 0.000763 N 1.4825 8.60171 19.79195 -0.004889 -0.001673 -0.001394 N 3.70625 9.88583 19.79839 0.005397 -0.001659 0.000443 N 1.4825 11.16996 19.80179 -0.016393 -0.007916 0.002155 N 3.70625 12.45408 19.80007 -0.006382 0.010602 0.001256 N 1.4825 13.73821 19.7945 0.002964 0.000629 0.000565 N 3.70625 15.02233 19.75895 -0.002113 -0.022037 -0.007004 N 5.93 0.89696 19.79625 -0.015528 0.002795 -0.000263 N 8.15375 2.18108 19.80362 0.007887 0.000938 0.004089 N 5.93 3.46521 19.79981 -0.011645 -0.01352 0.001679 N 8.15375 4.74933 19.8024 -0.000686 0.015065 0.002598 N 5.93 6.03346 19.79174 0.010679 0.002862 -0.002009 N 8.15375 7.31758 19.76399 0.009725 -0.003624 -0.007587 N 5.93 8.60171 19.75459 -0.031079 -0.000693 -0.008448 N 8.15375 9.88583 19.76072 0.011317 -0.010577 -0.008344 N 5.93 11.16996 19.78464 0.012265 0.002351 -0.003307 N 8.15375 12.45408 19.80138 -0.002808 -0.017438 0.002623 N 5.93 13.73821 19.80048 -0.009443 0.013958 0.002078 N 8.15375 15.02233 19.80538 0.008135 0.000614 0.004876 C 5.05186 3.34495 27.81567 -0.002826 -0.000502 -4.2e-05 C 5.83653 2.23988 27.65846 0.005526 0.000239 0.000734 C 1.85798 2.2405 23.05073 0.001588 -0.004383 6.5e-05 C 5.58797 1.0754 28.45758 0.000744 0.000122 -0.000444 C 3.21461 1.79824 22.79891 -0.026555 -0.054632 -0.000106 C 6.47437 1.86423 26.34441 0.006217 0.003191 0.000905 C 5.38643 0.38591 23.98858 0.02011 -0.01014 -0.000188 C 4.96542 3.5589 25.33785 -0.002397 0.010497 -0.000179 C 1.63329 3.34514 23.88524 0.006826 0.013903 0.00011 C 4.04126 3.61929 24.2197 0.024534 0.002781 0.000547 C 1.85804 15.31994 23.05166 0.008965 0.006333 4.5e-05 C 5.78272 2.48432 25.19786 -0.001606 -0.010247 0.000311 C 4.29145 2.48846 23.37349 0.041554 0.017225 5.9e-05 C 0.64991 3.55889 27.32175 0.000257 -0.006107 0.000128 C 8.72759 2.48427 27.46127 0.012767 0.001199 0.000745 C 4.29149 15.07199 23.37387 0.032352 -0.002568 2.9e-05 C 1.57406 3.61921 28.44035 -0.013572 -0.005338 0.000429 C 8.03595 1.86419 26.31464 -0.005688 0.000467 -0.000548 C 3.21463 0.35276 22.79894 -0.024922 0.034278 1e-06 C 5.38641 1.76502 23.98845 0.016128 0.010476 0.000308 C 4.6953 4.231 26.64127 0.00563 0.006939 0.000523 C 3.23353 4.43681 26.85026 -0.007566 -0.00302 0.003591 C 0.56348 3.34491 24.84372 -0.003388 0.011601 0.000531 C 1.63337 14.21529 23.88554 0.00598 -0.010815 0.000135 C 0.92015 4.23094 26.01813 -0.008318 0.006618 0.000202 C 2.74886 4.03849 24.468 -0.01931 0.022913 0.000844 C 2.3819 4.43669 25.8088 0.008613 -0.006326 -0.002765 C 2.74895 13.52194 24.46823 -0.015039 -0.022244 0.00203 C 4.58994 1.07536 29.44677 0.002095 0.000382 0.000762 C 8.67372 2.23987 25.00064 -0.01317 -0.001899 1.6e-05 C 0.60466 6.5107 24.84432 0.008621 -0.007555 -0.001162 C 1.38949 7.61568 25.0011 0.014109 -0.001558 0.002016 C 6.3059 7.61505 29.61042 0.005628 -0.006768 0.000899 C 1.14098 8.78017 24.20197 0.01914 -0.000402 -0.001956 C 7.6625 8.05736 29.86923 0.018369 -0.00092 0.000704 C 2.02725 7.9913 26.31502 0.004135 0.000167 0.000873 C 0.9393 9.46965 28.67162 -0.000334 -0.001399 -6e-06 C 0.51815 6.29667 27.32208 0.002907 0.004216 -0.001515 C 6.08113 6.51039 28.77465 0.006983 -0.000635 0.000558 C 8.48905 6.23627 28.44067 0.011507 0.006265 0.001522 C 6.30593 9.94514 29.61055 0.004707 0.007763 0.00095 C 1.33558 7.37119 27.46163 -0.010976 -0.000698 0.000838 C 8.73931 7.36712 29.28862 0.001657 0.000543 0.000646 C 5.09769 6.29668 25.3379 0.010517 -0.012753 0.000507 C 4.28045 7.37132 25.19777 -0.007577 0.01613 0.001342 C 8.73933 10.19305 29.28871 0.004105 2.9e-05 0.000628 C 6.02187 6.23637 24.2203 -0.016936 -0.034555 0.000926 C 3.58882 7.99136 26.34448 -0.005842 -0.003664 8.9e-05 C 7.66252 9.50282 29.8693 0.017969 -0.000171 0.00076 C 0.9393 8.09051 28.67156 6.2e-05 0.002287 0.000756 C 0.24794 5.62466 26.01841 0.00852 -0.008048 0.00359 C 7.68118 5.41891 25.80924 -0.00507 0.004912 -0.007109 C 5.01127 6.51064 27.81576 0.002593 -0.000731 0.001016 C 6.0812 11.04988 28.7749 0.006368 -0.000219 0.000773 C 5.3678 5.62459 26.64141 -0.005802 -0.006801 -0.000661 C 7.19666 5.81698 28.19147 -0.002852 0.004059 -0.001602 C 6.82956 5.41877 26.85053 0.003657 0.003969 0.008577 C 7.19674 11.74326 28.19176 -0.002074 -0.002334 -0.001455 C 0.14292 8.7802 23.21368 0.019465 -0.000629 0.001442 C 4.22664 7.61572 27.65847 -0.00384 -0.000381 0.000577 C 0.56354 14.21545 24.84405 -0.009356 -0.010407 0.00104 C 8.67371 15.32043 25.0008 -0.007672 -0.003038 -0.000929 C 3.7573 15.3198 29.61035 -0.004688 -0.0072 0.000469 C 0.02722 1.07542 24.20108 -0.013047 0.001169 0.000997 C 2.4007 0.35261 29.86903 -0.018492 -0.000343 0.000365 C 8.03595 0.28655 26.31468 -0.005103 0.000466 0.002502 C 0.2289 1.7649 28.67122 -9.4e-05 -0.000395 0.000123 C 0.65005 14.00142 27.32185 -0.000274 0.005072 0.001717 C 3.98207 14.21514 28.77459 -0.008268 -0.001555 0.000768 C 1.57415 13.94102 28.44049 -0.013664 0.005526 -8e-05 C 3.75727 2.24039 29.61023 -0.005654 0.009398 0.000351 C 8.72762 15.07594 27.46141 0.011318 0.001271 -0.001428 C 1.32389 15.07187 29.28843 -0.003784 0.001998 0.000465 C 4.96551 14.00143 25.33804 0.00028 -0.008758 -0.001041 C 5.78275 15.07607 25.198 -0.002425 0.009144 0.002218 C 1.32387 2.4883 29.28828 -0.002247 -0.001937 0.000304 C 4.04133 13.94112 24.2199 0.025687 -0.007488 0.000956 C 6.47438 0.28661 26.34452 0.007249 -0.002429 -0.001839 C 2.40068 1.79807 29.86895 -0.019189 0.000745 0.000329 C 0.2289 0.38576 28.67132 -7.8e-05 0.001607 0.000817 C 0.92026 13.32941 26.01834 -0.007874 -0.008325 -0.000351 C 2.38202 13.12366 25.809 0.005894 0.004691 -0.006202 C 5.05193 14.21539 27.81578 -0.003022 -0.000619 -0.000279 C 3.982 3.34513 28.77448 -0.008875 0.000197 0.000647 C 4.69541 13.32934 26.64142 0.006033 -0.008102 0.000758 C 2.86654 13.52173 28.19136 0.002202 0.004228 -0.001299 C 3.23364 13.12352 26.85037 -0.006162 0.004528 0.006809 C 2.86646 4.03851 28.19118 0.002252 -0.00482 -0.000677 C 1.02528 1.07545 23.21319 -0.004559 -0.004836 -0.000111 C 5.83656 15.32047 27.65848 0.005543 0.001344 0.001677 C 5.01134 11.0497 27.81605 0.001211 -6e-05 0.001213 C 4.22667 9.94463 27.65862 -0.004574 9.5e-05 -1.7e-05 C 8.20522 9.94525 23.05455 -0.040223 -0.033172 -5.7e-05 C 4.47523 8.78015 28.45762 -0.000784 -0.001934 0.001406 C 6.84859 9.50299 22.80347 0.047899 -0.084904 0.000142 C 3.58883 9.56898 26.34458 -0.006848 0.003889 0.002137 C 4.67677 8.09066 23.98858 -0.034283 -0.002235 0.000477 C 5.09778 11.26365 25.33827 0.008305 0.013623 0.001034 C 8.42991 11.04989 23.88644 0.016398 0.038002 0.001879 C 6.02194 11.32404 24.22079 -0.014575 0.043574 0.000804 C 8.20516 7.61519 23.05362 -0.030776 0.037996 -0.000129 C 4.28048 10.18907 25.19805 -0.007796 -0.013967 0.000149 C 5.77175 10.19321 23.37427 -0.03214 0.009535 0.000419 C 0.51829 11.26364 27.32236 0.002965 -0.003412 -0.003498 C 1.33561 10.18902 27.46172 -0.011545 0.001361 0.003474 C 5.77171 7.36724 23.37364 -0.041742 -0.023375 0.000313 C 8.48914 11.32396 28.44084 0.011805 -0.007098 0.002448 C 2.02725 9.56894 26.31516 0.003499 -7.8e-05 -0.002229 C 6.84857 8.05751 22.80247 0.046305 0.095519 0.000147 C 4.67679 9.46977 23.98884 -0.03881 0.001253 0.000802 C 5.3679 11.93575 26.64174 -0.006068 0.005512 -0.000707 C 6.82967 12.14156 26.85088 0.003336 -0.004478 0.007591 C 0.60472 11.04966 24.84475 0.012758 0.007279 -0.001651 C 8.42983 6.51054 23.88598 0.014786 -0.041904 0.001652 C 0.24805 11.93569 26.01874 0.009713 0.009125 0.004958 C 7.31434 11.74324 24.46906 -0.014188 0.019054 0.001502 C 7.6813 12.14144 25.80959 -0.005527 -0.004505 -0.005995 C 7.31425 5.81719 24.46865 -0.008002 -0.019402 0.001757 C 5.47326 8.78011 29.4469 -0.003342 -0.000389 0.000639 C 1.38948 9.94462 25.00127 0.012885 0.002108 0.003127 168 energy=-1497.81393852 config_type=nep2xyz pbc="T T T" virial="-19.1351917236135 -0.02215765895107265 0.002737625816348745 -0.02215765895107265 -27.403463320037417 0.018008444823169087 0.002737625816348745 0.018008444823169087 -3.971910080891605" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.78681 0.001742 -0.00895 -0.002423 B 2.965 0.89696 19.75511 -0.001632 -0.017778 -0.00963 B 0.74125 4.74933 19.79795 0.007331 -0.006627 0.001077 B 2.965 3.46521 19.77467 0.008417 -0.000242 -0.004895 B 0.74125 7.31758 19.78609 -0.001611 0.00824 -0.002314 B 2.965 6.03346 19.80291 0.008873 0.007756 0.002193 B 0.74125 9.88583 19.78259 -0.005006 -0.000848 -0.003266 B 2.965 8.60171 19.7993 -0.002732 0.004145 0.001273 B 0.74125 12.45408 19.80158 0.001945 -0.007127 0.002498 B 2.965 11.16996 19.80267 0.009219 -0.007486 0.002416 B 0.74125 15.02233 19.79339 0.007593 0.006078 0.000155 B 2.965 13.73821 19.78777 0.012289 0.014081 -0.00141 B 5.18875 2.18108 19.77886 0.000376 0.007616 -0.003773 B 7.4125 0.89696 19.80449 0.003662 0.001612 0.003285 B 5.18875 4.74933 19.80018 0.00607 0.001638 0.000826 B 7.4125 3.46521 19.80374 -0.003312 -0.004872 0.003418 B 5.18875 7.31758 19.78966 0.014228 0.016474 -0.001491 B 7.4125 6.03346 19.78933 -0.004105 0.014663 -0.001108 B 5.18875 9.88583 19.78232 0.014927 -0.005447 -0.003532 B 7.4125 8.60171 19.75919 -0.015292 0.00204 -0.009101 B 5.18875 12.45408 19.79682 0.011242 -0.016737 0.000639 B 7.4125 11.16996 19.77905 -0.015378 -0.003848 -0.003702 B 5.18875 15.02233 19.78716 -0.00556 -0.006522 -0.002268 B 7.4125 13.73821 19.80489 -0.006515 -0.000767 0.004341 N 1.4825 0.89696 19.77086 0.015414 0.013976 -0.006631 N 3.70625 2.18108 19.74597 0.006228 0.024441 -0.009517 N 1.4825 3.46521 19.78456 0.004411 0.004833 -0.002878 N 3.70625 4.74933 19.79774 -0.011379 -0.023796 7.9e-05 N 1.4825 6.03346 19.80035 -0.013896 0.004833 0.001633 N 3.70625 7.31758 19.80205 0.00206 -0.004038 0.002535 N 1.4825 8.60171 19.78944 -0.001149 -0.005377 -0.001656 N 3.70625 9.88583 19.79925 0.001749 -0.000775 0.001225 N 1.4825 11.16996 19.79959 -0.015448 -0.004812 0.001661 N 3.70625 12.45408 19.80095 -0.00608 0.010221 0.001912 N 1.4825 13.73821 19.79765 0.000693 0.009179 0.001155 N 3.70625 15.02233 19.76269 -0.008624 -0.014791 -0.007041 N 5.93 0.89696 19.79484 -0.020084 0.008349 -0.000939 N 8.15375 2.18108 19.80265 0.012318 -0.000662 0.003357 N 5.93 3.46521 19.79751 -0.013404 -0.016791 0.001146 N 8.15375 4.74933 19.80255 0.001988 0.008792 0.00285 N 5.93 6.03346 19.79679 0.005101 0.000998 3.8e-05 N 8.15375 7.31758 19.76664 0.007528 -0.019404 -0.006404 N 5.93 8.60171 19.76417 -0.028071 0.003711 -0.007196 N 8.15375 9.88583 19.75698 0.020311 -0.008919 -0.008468 N 5.93 11.16996 19.78241 0.00867 0.008335 -0.003131 N 8.15375 12.45408 19.8 -0.002452 -0.015253 0.002365 N 5.93 13.73821 19.80047 -0.008961 0.016754 0.002195 N 8.15375 15.02233 19.80619 0.010183 0.003983 0.005236 C 5.29146 3.58455 27.81552 -0.001932 -0.001501 0.000495 C 6.07613 2.47948 27.6583 0.00428 -0.000232 0.000209 C 2.09758 2.4801 23.05138 -0.003309 -0.00879 0.000174 C 5.82757 1.315 28.45744 0.000572 0.001486 0.000493 C 3.45421 2.03784 22.7997 -0.033115 -0.067591 -0.000189 C 6.71397 2.10383 26.34424 0.005574 0.003643 0.001473 C 5.62603 0.62551 23.98849 0.030722 -0.005397 0.000158 C 5.20502 3.7985 25.33755 -0.00752 0.012754 0.000663 C 1.87289 3.58474 23.88544 0.003023 0.018725 4.3e-05 C 4.28086 3.85889 24.21959 0.017703 0.010376 0.000118 C 2.09764 0.15004 23.05322 0.018233 0.021811 6.7e-05 C 6.02232 2.72392 25.19756 0.001 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C 0.84426 6.7503 24.84404 0.009247 -0.009691 0.000306 C 1.62909 7.85528 25.00092 0.012729 0.000688 0.000402 C 6.5455 7.85465 29.6102 0.004666 -0.007316 0.000563 C 1.38058 9.01977 24.2018 0.026283 0.001553 0.000538 C 7.9021 8.29696 29.86906 0.016402 -0.002089 0.000549 C 2.26685 8.2309 26.31484 0.003957 -0.000486 0.000497 C 1.1789 9.70925 28.67151 0.000266 -0.001244 0.000484 C 0.75775 6.53627 27.32185 0.000965 0.004213 4.3e-05 C 6.32073 6.74999 28.77441 0.007033 -0.000244 0.000741 C 8.72865 6.47587 28.44045 0.012222 0.007175 0.000668 C 6.54553 10.18474 29.61048 0.00444 0.007224 0.00059 C 1.57518 7.61079 27.46145 -0.010274 0.000561 0.000694 C 0.08391 7.60672 29.28843 0.001698 0.000984 0.000477 C 5.33729 6.53628 25.33759 0.008002 -0.010539 -0.000191 C 4.52005 7.61092 25.19738 -0.004518 0.014691 0.000948 C 0.08393 10.43265 29.28865 0.004825 -0.001599 0.000465 C 6.26147 6.47597 24.21988 -0.018623 -0.021438 0.000733 C 3.82842 8.23096 26.34418 -0.005104 -0.004282 0.000174 C 7.90212 9.74242 29.86921 0.015642 -0.0009 0.000649 C 1.1789 8.33011 28.6714 -0.000745 0.001806 0.000385 C 0.48754 5.86426 26.01824 0.008047 -0.00872 0.000657 C 7.92078 5.65851 25.80888 -0.007054 0.004338 0.001802 C 5.25087 6.75024 27.81551 0.002644 -0.000558 0.000273 C 6.3208 11.28948 28.77484 0.005785 -0.000471 0.000949 C 5.6074 5.86419 26.6411 -0.005708 -0.007252 0.001198 C 7.43626 6.05658 28.19123 -0.002175 0.004568 0.00077 C 7.06916 5.65837 26.85036 0.007103 0.004241 -0.000947 C 7.43634 11.98286 28.1917 -0.002122 -0.00334 0.002724 C 0.38252 9.0198 23.21339 0.008461 -0.001796 0.000336 C 4.46624 7.85532 27.65822 -0.003735 0.000422 0.000928 C 0.80314 14.45505 24.84463 -0.019422 -0.006573 0.000307 C 0.01831 0.15053 25.0012 -0.003444 -0.013072 8.5e-05 C 3.9969 0.1499 29.61043 -0.00369 -0.00627 0.000649 C 0.26682 1.31502 24.20155 -0.019833 0.004275 0.000317 C 2.6403 0.59221 29.8692 -0.015927 0.000818 0.000477 C 8.27555 0.52615 26.31492 -0.00659 0.001069 0.001204 C 0.4685 2.0045 28.6713 -0.000624 -0.000478 0.000313 C 0.88965 14.24102 27.32212 -0.001813 0.005232 0.000556 C 4.22167 14.45474 28.7747 -0.006996 -0.001027 0.000506 C 1.81375 14.18062 28.44073 -0.013759 0.005421 0.000339 C 3.99687 2.47999 29.61016 -0.005125 0.01025 0.000397 C 0.07222 15.31554 27.4616 0.010658 0.000464 -5.2e-05 C 1.56349 15.31147 29.28863 -0.004608 0.001316 0.000557 C 5.20511 14.24103 25.33807 -0.001437 -0.010636 0.000258 C 6.02235 15.31567 25.19786 -0.000967 0.013816 0.001244 C 1.56347 2.7279 29.28832 -4.7e-05 -0.000149 0.000315 C 4.28093 14.18072 24.22019 0.022168 -0.013858 0.000576 C 6.71398 0.52621 26.34443 0.006624 -0.003247 -0.000575 C 2.64028 2.03767 29.86903 -0.017112 0.000442 0.000437 C 0.4685 0.62536 28.67152 -0.000186 0.001143 0.00061 C 1.15986 13.56901 26.01864 -0.007738 -0.009785 0.00111 C 2.62162 13.36326 25.80924 0.004431 0.003864 -0.003562 C 5.29153 14.45499 27.81583 -0.002104 -0.000852 0.00056 C 4.2216 3.58473 28.77441 -0.008099 0.000196 0.00047 C 4.93501 13.56894 26.6415 0.006276 -0.00857 -0.000138 C 3.10614 13.76133 28.19152 0.002762 0.004179 -0.000475 C 3.47324 13.36312 26.85061 -0.006207 0.00432 0.00457 C 3.10606 4.27811 28.19107 0.002853 -0.00598 0.001663 C 1.26488 1.31505 23.21407 0.004006 -0.006209 0.000178 C 6.07616 0.15057 27.65844 0.004464 0.000184 0.000889 C 5.25094 11.2893 27.81594 6e-06 -0.001394 0.000278 C 4.46627 10.18423 27.65841 -0.003805 0.001072 0.000799 C 8.44482 10.18485 23.05464 -0.035891 -0.027149 0.000428 C 4.71483 9.01975 28.45739 0.0004 -0.002427 0.000411 C 7.08819 9.74259 22.8029 0.043327 -0.075253 5e-05 C 3.82843 9.80858 26.34437 -0.007693 0.00383 0.000838 C 4.91637 8.33026 23.98792 -0.033032 -0.01162 0.000434 C 5.33738 11.50325 25.33821 0.005927 0.011793 -0.000218 C 8.66951 11.28949 23.88648 0.018304 0.02773 0.000254 C 6.26154 11.56364 24.2207 -0.010509 0.042004 0.000797 C 8.44476 7.85479 23.05303 -0.025947 0.044201 0.000248 C 4.52008 10.42867 25.19782 -0.007099 -0.012849 0.000571 C 6.01135 10.43281 23.37402 -0.027975 0.004423 0.000559 C 0.75789 11.50324 27.32225 0.000735 -0.004813 0.001016 C 1.57521 10.42862 27.46166 -0.010339 0.000292 0.000703 C 6.01131 7.60684 23.37306 -0.042009 -0.027085 0.000345 C 8.72874 11.56356 28.44083 0.013501 -0.006558 0.000522 C 2.26685 9.80854 26.31497 0.003491 0.00049 0.000276 C 7.08817 8.29711 22.80066 0.041603 0.08766 9.3e-05 C 4.91639 9.70937 23.98839 -0.036463 0.00422 0.000606 C 5.6075 12.17535 26.64167 -0.004057 0.005836 0.00252 C 7.06927 12.38116 26.85102 0.007439 -0.003399 -0.008053 C 0.84432 11.28926 24.84464 0.011167 0.014348 0.000745 C 8.66943 6.75014 23.88567 0.013395 -0.036691 0.000359 C 0.48765 12.17529 26.0188 0.009164 0.008991 -0.001079 C 7.55394 11.98284 24.46911 -0.019967 0.01944 -0.001601 C 7.9209 12.38104 25.80943 -0.008144 -0.002485 0.009187 C 7.55385 6.05679 24.46834 -0.003969 -0.018788 1.1e-05 C 5.71286 9.01971 29.44668 -0.00388 -0.000692 0.000791 C 1.62908 10.18422 25.00111 0.013364 -0.002938 0.000433 168 energy=-1497.81573008 config_type=nep2xyz pbc="T T T" virial="-19.08471674762457 -0.02284206540515984 0.006886839944252312 -0.02284206540515984 -27.34118233271548 0.015313594410200792 0.006886839944252312 0.015313594410200792 -4.031881196430994" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.78611 -0.002689 -0.004708 -0.002776 B 2.965 0.89696 19.75615 0.00163 -0.022651 -0.008559 B 0.74125 4.74933 19.79757 0.006291 -0.006376 0.000681 B 2.965 3.46521 19.77205 0.005117 0.007258 -0.005426 B 0.74125 7.31758 19.78672 -0.002537 0.009803 -0.001783 B 2.965 6.03346 19.80311 0.005798 0.006564 0.002129 B 0.74125 9.88583 19.77816 -0.008697 0.001594 -0.003572 B 2.965 8.60171 19.79931 -0.00514 0.006206 0.001548 B 0.74125 12.45408 19.80044 0.000313 -0.012854 0.001854 B 2.965 11.16996 19.80181 0.004535 -0.007422 0.002167 B 0.74125 15.02233 19.79471 0.006742 0.004748 0.000359 B 2.965 13.73821 19.79133 0.011257 0.010973 -0.000507 B 5.18875 2.18108 19.77435 0.012692 0.006119 -0.004341 B 7.4125 0.89696 19.80296 -0.000398 0.001669 0.002268 B 5.18875 4.74933 19.79959 0.008593 -0.002154 0.000764 B 7.4125 3.46521 19.80224 -0.006572 -0.001893 0.002384 B 5.18875 7.31758 19.79489 0.016905 0.017581 5.9e-05 B 7.4125 6.03346 19.79269 -0.000219 0.019869 6.2e-05 B 5.18875 9.88583 19.78513 0.017361 -0.004507 -0.00229 B 7.4125 8.60171 19.76336 -0.015625 -0.000836 -0.007364 B 5.18875 12.45408 19.79708 0.015745 -0.018444 0.001092 B 7.4125 11.16996 19.77661 -0.015406 -0.003817 -0.003457 B 5.18875 15.02233 19.78868 -0.001007 -0.004357 -0.001983 B 7.4125 13.73821 19.80464 -0.008719 -0.004007 0.003508 N 1.4825 0.89696 19.77241 0.01172 0.011167 -0.006227 N 3.70625 2.18108 19.7416 -0.002464 0.017504 -0.009944 N 1.4825 3.46521 19.78283 0.003018 0.00302 -0.003755 N 3.70625 4.74933 19.79642 -0.011061 -0.025737 -0.000531 N 1.4825 6.03346 19.80043 -0.010926 0.003979 0.001524 N 3.70625 7.31758 19.8042 -0.000691 -0.004806 0.003308 N 1.4825 8.60171 19.78676 0.000352 -0.007764 -0.001835 N 3.70625 9.88583 19.79985 -0.001401 -0.000704 0.00161 N 1.4825 11.16996 19.79599 -0.011646 -0.001713 0.000829 N 3.70625 12.45408 19.80209 -0.005775 0.008591 0.002437 N 1.4825 13.73821 19.79986 -0.000754 0.010675 0.001596 N 3.70625 15.02233 19.76837 -0.009283 -0.007307 -0.005823 N 5.93 0.89696 19.79191 -0.018537 0.015209 -0.001748 N 8.15375 2.18108 19.80143 0.015562 -0.001148 0.002088 N 5.93 3.46521 19.79387 -0.01243 -0.017968 9.4e-05 N 8.15375 4.74933 19.80301 0.004106 0.00324 0.002848 N 5.93 6.03346 19.80021 0.000496 -0.00035 0.001385 N 8.15375 7.31758 19.77113 0.002058 -0.025616 -0.004679 N 5.93 8.60171 19.77259 -0.018043 0.008692 -0.005414 N 8.15375 9.88583 19.75237 0.03335 -0.002872 -0.008109 N 5.93 11.16996 19.78161 0.004491 0.008359 -0.002528 N 8.15375 12.45408 19.79827 -0.001598 -0.01367 0.001597 N 5.93 13.73821 19.80104 -0.008051 0.015949 0.002279 N 8.15375 15.02233 19.8063 0.009514 0.004944 0.004704 C 5.53106 3.82415 27.81552 -0.002644 -0.001249 0.001542 C 6.31573 2.71908 27.65827 0.004351 0.000198 -0.000814 C 2.33718 2.7197 23.05206 -0.002276 -0.013673 4.8e-05 C 6.06717 1.5546 28.45741 -0.000736 0.001299 0.000653 C 3.69381 2.27744 22.80112 -0.033648 -0.078753 -0.000137 C 6.95357 2.34343 26.34417 0.005874 0.003314 0.003738 C 5.86563 0.86511 23.98851 0.042173 0.002721 -0.000383 C 5.44462 4.0381 25.33747 -0.010028 0.0165 0.003924 C 2.11249 3.82434 23.88563 -0.001592 0.026383 3.5e-05 C 4.52046 4.09849 24.2197 0.012107 0.021772 -0.001146 C 2.33724 0.38964 23.05394 0.028459 0.03749 0.000163 C 6.26192 2.96352 25.19749 0.003744 -0.017329 -0.002637 C 4.77065 2.96766 23.37277 0.04846 0.033931 0.00024 C 1.12911 4.03809 27.32184 -0.001056 -0.004869 0.000642 C 0.31179 2.96347 27.46142 0.010776 0.00082 0.000808 C 4.77069 0.14169 23.37373 0.029824 -0.012893 0.000193 C 2.05326 4.09841 28.44046 -0.012479 -0.005362 0.000145 C 8.51515 2.34339 26.31483 -0.005208 0.002592 -0.001101 C 3.69383 0.83196 22.8015 -0.043769 0.03762 -2e-06 C 5.86561 2.24422 23.98828 0.029943 -0.010123 0.001262 C 5.1745 4.7102 26.64118 0.0047 0.005222 -0.003195 C 3.71273 4.91601 26.85024 -0.007066 -0.002026 0.007328 C 1.04268 3.82411 24.84388 -0.005551 0.011824 0.000483 C 2.11257 14.69449 23.88621 -0.000705 -0.033473 0.000348 C 1.39935 4.71014 26.01819 -0.00649 0.005707 0.000586 C 3.22806 4.51769 24.46812 -0.001513 0.031244 0.002329 C 2.8611 4.91589 25.80885 0.009671 -0.008632 -0.006188 C 3.22815 14.00114 24.46854 -0.005766 -0.025841 0.000625 C 5.06914 1.55456 29.44668 0.003731 0.000615 0.000512 C 0.25792 2.71907 25.00089 -0.015218 0.000168 0.000643 C 1.08386 6.9899 24.84382 0.008825 -0.009707 -0.000319 C 1.86869 8.09488 25.00071 0.011378 -0.000447 0.000492 C 6.7851 8.09425 29.61014 0.004325 -0.007926 0.000505 C 1.62018 9.25937 24.2015 0.031049 0.003799 -0.000356 C 8.1417 8.53656 29.86896 0.017304 -0.002536 0.000388 C 2.50645 8.4705 26.31465 0.005892 -0.000719 0.001374 C 1.4185 9.94885 28.67134 0.000619 -0.001597 0.000116 C 0.99735 6.77587 27.32168 0.001918 0.005435 -0.001071 C 6.56033 6.98959 28.77433 0.007737 -0.000592 0.000737 C 0.07325 6.71547 28.44028 0.012059 0.006647 0.001092 C 6.78513 10.42434 29.6104 0.003777 0.007646 0.000538 C 1.81478 7.85039 27.46125 -0.011301 0.000219 0.000258 C 0.32351 7.84632 29.28829 0.001906 0.000492 0.000391 C 5.57689 6.77588 25.33765 0.003046 -0.008861 -0.001627 C 4.75965 7.85052 25.19739 -0.001364 0.012445 0.002701 C 0.32353 10.67225 29.28848 0.00345 -0.001446 0.000399 C 6.50107 6.71557 24.21973 -0.021744 -0.013035 0.00115 C 4.06802 8.47056 26.34418 -0.005643 -0.00403 -0.002089 C 8.14172 9.98202 29.86912 0.016782 -0.001093 0.000474 C 1.4185 8.56971 28.67124 -2.6e-05 0.000716 0.000489 C 0.72714 6.10386 26.01804 0.00777 -0.008253 0.00271 C 8.16038 5.89811 25.80879 -0.004531 0.005302 -0.007008 C 5.49047 6.98984 27.81548 0.002816 -0.001515 -0.000357 C 6.5604 11.52908 28.77473 0.006598 0.000662 0.000479 C 5.847 6.10379 26.64105 -0.006538 -0.00898 0.001309 C 7.67586 6.29618 28.19112 -0.003108 0.004094 -0.001779 C 7.30876 5.89797 26.85012 0.005422 0.005979 0.007439 C 7.67594 12.22246 28.19153 -0.00398 -0.002851 -0.000584 C 0.62212 9.2594 23.21313 -0.004836 -0.002171 0.000526 C 4.70584 8.09492 27.65821 -0.00416 0.000808 0.001498 C 1.04274 14.69465 24.84477 -0.024054 -0.004088 0.000736 C 0.25791 0.39013 25.00134 -0.00249 -0.017406 -0.000463 C 4.2365 0.3895 29.61042 -0.004641 -0.006117 0.000637 C 0.50642 1.55462 24.20173 -0.025362 0.005855 0.000657 C 2.8799 0.83181 29.86926 -0.01588 0.002152 0.000513 C 8.51515 0.76575 26.31499 -0.00579 0.000687 0.00258 C 0.7081 2.2441 28.67132 2.3e-05 -0.000202 0.000293 C 1.12925 14.48062 27.32219 -0.002087 0.003331 0.001343 C 4.46127 14.69434 28.77469 -0.007233 -0.00083 0.000746 C 2.05335 14.42022 28.44078 -0.012978 0.006714 0.000176 C 4.23647 2.71959 29.61019 -0.006419 0.009498 0.00069 C 0.31182 0.14564 27.46168 0.010041 -0.000269 -0.001036 C 1.80309 0.14157 29.28868 -0.004808 0.000902 0.000556 C 5.44471 14.48063 25.33802 -0.004472 -0.012763 -0.001333 C 6.26195 0.14577 25.19771 0.001373 0.016527 0.003108 C 1.80307 2.9675 29.28834 -0.000624 0.000344 0.000528 C 4.52053 14.42032 24.22024 0.02147 -0.021765 0.001198 C 6.95358 0.76581 26.34441 0.005544 -0.00431 -0.002757 C 2.87988 2.27727 29.86909 -0.01694 -1.7e-05 0.000463 C 0.7081 0.86496 28.67156 0.000574 0.002344 0.000872 C 1.39946 13.80861 26.0187 -0.007259 -0.009517 -0.000112 C 2.86122 13.60286 25.80919 0.006573 0.003799 -0.0011 C 5.53113 14.69459 27.81581 -0.002021 -0.001216 -6.3e-05 C 4.4612 3.82433 28.77445 -0.008065 -5.6e-05 -2e-06 C 5.17461 13.80854 26.64143 0.007343 -0.008073 0.00158 C 3.34574 14.00093 28.19151 0.001474 0.00449 3.8e-05 C 3.71284 13.60272 26.85061 -0.007194 0.004815 0.002112 C 3.34566 4.51771 28.19112 0.002589 -0.00525 -0.001048 C 1.50448 1.55465 23.21442 0.008945 -0.004455 0.000148 C 6.31576 0.39017 27.65838 0.003693 -0.000341 0.001651 C 5.49054 11.5289 27.81583 0.000868 -0.00192 0.000925 C 4.70587 10.42383 27.65839 -0.004604 0.000965 -0.00029 C 8.68442 10.42445 23.05385 -0.026792 -0.020074 5.2e-05 C 4.95443 9.25935 28.45737 -0.000779 -0.002025 0.000404 C 7.32779 9.98219 22.80219 0.031729 -0.06635 7e-06 C 4.06803 10.04818 26.34428 -0.006938 0.003512 0.002691 C 5.15597 8.56986 23.98787 -0.034746 -0.009492 -0.000305 C 5.57698 11.74285 25.33806 0.002578 0.010882 0.001698 C 0.01411 11.52909 23.88615 0.014745 0.022299 0.000704 C 6.50114 11.80324 24.22044 -0.008214 0.037123 4.2e-05 C 8.68436 8.09439 23.05236 -0.024882 0.045029 5.1e-05 C 4.75968 10.66827 25.19779 -0.005024 -0.011591 -0.001029 C 6.25095 10.67241 23.3738 -0.021358 0.004789 0.000315 C 0.99749 11.74284 27.32207 0.000339 -0.004768 -0.001333 C 1.81481 10.66822 27.46144 -0.011512 0.000636 0.001929 C 6.25091 7.84644 23.37317 -0.028808 -0.02152 0.000123 C 0.07334 11.80316 28.44062 0.012983 -0.00599 0.001176 C 2.50645 10.04814 26.31477 0.004038 0.001224 -0.001487 C 7.32777 8.53671 22.79959 0.028892 0.065012 7e-05 C 5.15599 9.94897 23.98829 -0.035064 -0.000129 0.000871 C 5.8471 12.41495 26.64157 -0.004899 0.00544 -0.00099 C 7.30887 12.62076 26.85069 0.00537 -0.003484 0.004287 C 1.08392 11.52886 24.84427 0.005642 0.019369 -0.000418 C 0.01403 6.98974 23.88536 0.007022 -0.033719 0.000609 C 0.72725 12.41489 26.01854 0.009404 0.00784 0.002299 C 7.79354 12.22244 24.46879 -0.015453 0.023306 0.001218 C 8.1605 12.62064 25.80932 -0.004791 -0.004577 -0.003381 C 7.79345 6.29639 24.46806 0.005138 -0.020656 0.001912 C 5.95246 9.25931 29.44665 -0.003053 -0.00162 0.000662 C 1.86868 10.42382 25.00077 0.015353 -0.008008 0.001431 168 energy=-1497.81706632 config_type=nep2xyz pbc="T T T" virial="-19.04476452086723 -0.009282262533557463 0.003721460094099075 -0.009282262533557463 -27.24874468601033 0.010693850845112285 0.003721460094099075 0.010693850845112285 -4.066614823975919" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.78745 -0.004419 -0.002874 -0.002347 B 2.965 0.89696 19.7611 0.003717 -0.017357 -0.007669 B 0.74125 4.74933 19.79823 0.005494 -0.008446 0.001107 B 2.965 3.46521 19.77179 0.003061 0.008108 -0.005309 B 0.74125 7.31758 19.7883 -0.003412 0.009007 -0.001478 B 2.965 6.03346 19.80289 0.004384 0.001637 0.002433 B 0.74125 9.88583 19.77241 -0.008711 0.00249 -0.004544 B 2.965 8.60171 19.79869 -0.004534 0.006109 0.001766 B 0.74125 12.45408 19.79772 -0.001202 -0.013046 0.000829 B 2.965 11.16996 19.80015 0.000246 -0.006199 0.001923 B 0.74125 15.02233 19.79652 0.00623 0.007918 0.000853 B 2.965 13.73821 19.79519 0.009636 0.009723 0.000301 B 5.18875 2.18108 19.77022 0.02103 0.00348 -0.005221 B 7.4125 0.89696 19.80034 -0.006835 0.001336 0.001574 B 5.18875 4.74933 19.79749 0.009862 -0.007323 0.000473 B 7.4125 3.46521 19.79999 -0.011275 -0.001019 0.001734 B 5.18875 7.31758 19.7984 0.018207 0.014558 0.001442 B 7.4125 6.03346 19.79605 -0.000391 0.017418 0.00083 B 5.18875 9.88583 19.78804 0.018139 -0.002578 -0.001346 B 7.4125 8.60171 19.76696 -0.014437 -0.007568 -0.006314 B 5.18875 12.45408 19.79822 0.018374 -0.016107 0.001586 B 7.4125 11.16996 19.77452 -0.014619 0.001316 -0.004055 B 5.18875 15.02233 19.79001 0.002687 0.000856 -0.001791 B 7.4125 13.73821 19.80356 -0.008909 -0.0045 0.003052 N 1.4825 0.89696 19.77668 0.003999 0.004211 -0.004656 N 3.70625 2.18108 19.74126 -0.018282 0.007322 -0.009359 N 1.4825 3.46521 19.78357 0.000793 0.002653 -0.003179 N 3.70625 4.74933 19.79444 -0.007403 -0.0197 -0.000796 N 1.4825 6.03346 19.80118 -0.008057 0.005309 0.001925 N 3.70625 7.31758 19.80527 -0.004181 -0.003089 0.004125 N 1.4825 8.60171 19.78402 -0.001674 -0.005424 -0.002234 N 3.70625 9.88583 19.79999 -0.004639 -0.000754 0.001869 N 1.4825 11.16996 19.79038 -0.008198 -0.000704 -0.00068 N 3.70625 12.45408 19.80328 -0.00614 0.005066 0.002905 N 1.4825 13.73821 19.80142 -0.002273 0.005304 0.001912 N 3.70625 15.02233 19.77583 -0.005755 -0.004522 -0.004663 N 5.93 0.89696 19.78736 -0.011743 0.018919 -0.002497 N 8.15375 2.18108 19.80012 0.016452 -0.000679 0.00151 N 5.93 3.46521 19.7888 -0.008321 -0.016132 -0.001029 N 8.15375 4.74933 19.80344 0.004602 0.000725 0.003054 N 5.93 6.03346 19.80194 -0.003019 -0.001165 0.002263 N 8.15375 7.31758 19.77729 -0.000765 -0.018061 -0.00373 N 5.93 8.60171 19.77948 -0.006103 0.010962 -0.003271 N 8.15375 9.88583 19.74756 0.044647 0.002806 -0.00815 N 5.93 11.16996 19.78275 0.002088 0.003021 -0.001914 N 8.15375 12.45408 19.79521 -9.9e-05 -0.012981 0.000246 N 5.93 13.73821 19.80158 -0.007155 0.012041 0.002285 N 8.15375 15.02233 19.80559 0.006568 0.002971 0.004114 C 5.77066 4.06375 27.81558 -0.002537 -0.00031 0.001472 C 6.55533 2.95868 27.6583 0.005474 -0.000244 -0.000775 C 2.57678 2.9593 23.05231 0.003467 -0.01751 -2.3e-05 C 6.30677 1.7942 28.45738 0.000587 -0.000127 0.000673 C 3.93341 2.51704 22.80245 -0.02817 -0.083073 -0.00013 C 7.19317 2.58303 26.34421 0.005562 0.00419 0.003419 C 6.10523 1.10471 23.9886 0.048178 0.01278 -0.000364 C 5.68422 4.2777 25.33761 -0.007877 0.016593 0.003645 C 2.35209 4.06394 23.88565 -0.004958 0.031932 0.000348 C 4.76006 4.33809 24.21988 0.012168 0.030983 -0.000993 C 2.57684 0.62924 23.0534 0.030032 0.042158 0.000132 C 6.50152 3.20312 25.19759 0.004353 -0.014865 -0.002308 C 5.01025 3.20726 23.37316 0.033354 0.029856 0.00023 C 1.36871 4.27769 27.32183 -0.000839 -0.004099 -0.000369 C 0.55139 3.20307 27.46133 0.011478 0.000853 0.00135 C 5.01029 0.38129 23.37382 0.022562 -0.020473 0.000212 C 2.29286 4.33801 28.44045 -0.013918 -0.006099 0.000571 C 8.75475 2.58299 26.31473 -0.004323 0.002304 -0.001433 C 3.93343 1.07156 22.8028 -0.040244 0.055412 -6.7e-05 C 6.10521 2.48382 23.98846 0.039078 -0.018065 0.001135 C 5.4141 4.9498 26.64124 0.005563 0.005911 -0.003287 C 3.95233 5.15561 26.85026 -0.006861 -0.003243 0.009581 C 1.28228 4.06371 24.84387 -0.004531 0.012506 1e-05 C 2.35217 14.93409 23.8859 -0.003175 -0.044036 0.000408 C 1.63895 4.94974 26.01818 -0.006531 0.006924 0.001777 C 3.46766 4.75729 24.46816 -0.001243 0.030497 0.002768 C 3.1007 5.15549 25.80892 0.009703 -0.009197 -0.00849 C 3.46775 14.24074 24.4683 -0.008553 -0.026977 0.001029 C 5.30874 1.79416 29.44665 0.00297 -0.000308 0.000466 C 0.49752 2.95867 25.00074 -0.014784 -0.000723 0.000977 C 1.32346 7.2295 24.84372 0.010903 -0.008526 -6e-06 C 2.10829 8.33448 25.00058 0.009079 -0.004353 -0.000287 C 7.0247 8.33385 29.61008 0.004476 -0.007298 0.000486 C 1.85978 9.49897 24.2012 0.031348 0.004586 -0.000234 C 8.3813 8.77616 29.86884 0.018238 -0.000912 0.000291 C 2.74605 8.7101 26.31448 0.005402 9.7e-05 0.002905 C 1.6581 10.18845 28.67115 0.0005 -0.001472 -0.000307 C 1.23695 7.01547 27.32157 0.000634 0.00464 -1e-06 C 6.79993 7.22919 28.77431 0.008002 -0.001669 0.000574 C 0.31285 6.95507 28.4402 0.013157 0.006789 0.000457 C 7.02473 10.66394 29.61025 0.004776 0.008349 0.000403 C 2.05438 8.08999 27.46116 -0.011124 0.000983 -0.001196 C 0.56311 8.08592 29.28817 0.001878 0.000302 0.000411 C 5.81649 7.01548 25.33774 0.000722 -0.009807 -0.001434 C 4.99925 8.09012 25.19761 -0.000489 0.010951 0.003135 C 0.56313 10.91185 29.28828 0.003191 -0.001097 0.000252 C 6.74067 6.95517 24.21967 -0.024839 -0.015256 0.001005 C 4.30762 8.71016 26.34427 -0.006204 -0.003413 -0.003127 C 8.38132 10.22162 29.86894 0.018414 -0.001587 0.000363 C 1.6581 8.80931 28.6711 0.000181 0.002467 0.000771 C 0.96674 6.34346 26.01796 0.007052 -0.007482 0.001718 C 8.39998 6.13771 25.80868 -0.005856 0.005668 -0.008065 C 5.73007 7.22944 27.81548 0.003447 -0.001778 -0.000354 C 6.8 11.76868 28.77457 0.007064 0.000494 0.000391 C 6.0866 6.34339 26.64108 -0.007359 -0.010044 0.000879 C 7.91546 6.53578 28.19105 -0.003572 0.004603 -0.001993 C 7.54836 6.13757 26.85003 0.006616 0.006048 0.008545 C 7.91554 12.46206 28.19132 -0.003654 -0.00395 -0.00013 C 0.86172 9.499 23.21315 -0.011417 -0.002958 0.000377 C 4.94544 8.33452 27.65823 -0.005061 0.001256 0.001788 C 1.28234 14.93425 24.84438 -0.018552 -0.005848 0.000589 C 0.49751 0.62973 25.00105 -0.005392 -0.01335 -0.000155 C 4.4761 0.6291 29.61028 -0.005986 -0.006827 0.00056 C 0.74602 1.79422 24.20153 -0.029054 0.005077 0.000247 C 3.1195 1.07141 29.86916 -0.01782 0.001948 0.000447 C 8.75475 1.00535 26.3148 -0.004858 0.000777 0.0025 C 0.9477 2.4837 28.67124 0.00089 -0.000383 0.000132 C 1.36885 14.72022 27.32197 -0.002486 0.004923 0.00124 C 4.70087 14.93394 28.77453 -0.007805 -0.001455 0.000657 C 2.29295 14.65982 28.4406 -0.012319 0.005918 0.00011 C 4.47607 2.95919 29.61018 -0.006607 0.00918 0.000638 C 0.55142 0.38524 27.46151 0.010516 -0.001285 -0.001096 C 2.04269 0.38117 29.28853 -0.003812 0.000773 0.000533 C 5.68431 14.72023 25.33795 -0.004792 -0.013505 -0.000842 C 6.50155 0.38537 25.19771 0.002617 0.01674 0.002553 C 2.04267 3.2071 29.28832 -0.002407 0.001093 0.000449 C 4.76013 14.65992 24.2202 0.021644 -0.025953 0.000855 C 7.19318 1.00541 26.34436 0.005789 -0.003808 -0.002295 C 3.11948 2.51687 29.86907 -0.018739 -0.000294 0.000427 C 0.9477 1.10456 28.67141 0.000889 0.00208 0.000842 C 1.63906 14.04821 26.01842 -0.007468 -0.007939 0.000163 C 3.10082 13.84246 25.80901 0.007456 0.005029 -0.002543 C 5.77073 14.93419 27.81567 -0.002185 -0.001203 6.5e-05 C 4.7008 4.06393 28.77447 -0.008113 0.000245 1.6e-05 C 5.41421 14.04814 26.64133 0.007304 -0.009388 0.000977 C 3.58534 14.24053 28.19131 0.00177 0.005414 -0.000303 C 3.95244 13.84232 26.8504 -0.007289 0.004918 0.00343 C 3.58526 4.75731 28.19116 0.001794 -0.004397 -0.0018 C 1.74408 1.79425 23.21406 0.011406 -0.000896 0.000259 C 6.55536 0.62977 27.65831 0.003966 -0.00036 0.001369 C 5.73014 11.7685 27.81572 0.001449 -0.001223 0.000818 C 4.94547 10.66343 27.65839 -0.006117 0.001505 -0.000473 C 0.02902 10.66405 23.05276 -0.018911 -0.01653 4.3e-05 C 5.19403 9.49895 28.45738 -0.000288 -0.002175 0.000182 C 7.56739 10.22179 22.80181 0.022275 -0.057994 -0.000105 C 4.30763 10.28778 26.34429 -0.0069 0.00373 0.003232 C 5.39557 8.80946 23.98827 -0.040347 0.001528 -0.000584 C 5.81658 11.98245 25.33794 0.001336 0.012442 0.002017 C 0.25371 11.76869 23.88574 0.008025 0.024516 0.000433 C 6.74074 12.04284 24.22012 -0.012311 0.031793 -0.000351 C 0.02896 8.33399 23.05194 -0.026748 0.039334 -8.9e-05 C 4.99928 10.90787 25.19785 -0.00386 -0.011448 -0.00189 C 6.49055 10.91201 23.37373 -0.015222 0.010054 0.000272 C 1.23709 11.98244 27.32183 0.000405 -0.005808 -0.001595 C 2.05441 10.90782 27.4612 -0.013118 0.001569 0.002476 C 6.49051 8.08604 23.37355 -0.013724 -0.014507 5.3e-05 C 0.31294 12.04276 28.44043 0.014412 -0.006664 0.001112 C 2.74605 10.28774 26.31459 0.005229 0.000855 -0.002666 C 7.56737 8.77631 22.79992 0.020258 0.045771 -8e-06 C 5.39559 10.18857 23.98851 -0.036457 -0.010313 0.001046 C 6.0867 12.65455 26.64142 -0.004797 0.005461 -0.000936 C 7.54847 12.86036 26.85048 0.007939 -0.002986 0.00201 C 1.32352 11.76846 24.84392 0.003378 0.018775 -0.000418 C 0.25363 7.22934 23.8852 0.002052 -0.034442 0.000514 C 0.96685 12.65449 26.01826 0.009114 0.007366 0.001833 C 8.03314 12.46204 24.46838 -0.00313 0.025799 0.000692 C 8.4001 12.86024 25.809 -0.00854 -0.005706 -0.001354 C 8.03305 6.53599 24.46785 0.012885 -0.022766 0.002204 C 6.19206 9.49891 29.44661 -0.003569 -0.001293 0.000515 C 2.10828 10.66342 25.00052 0.015774 -0.008085 0.001535 168 energy=-1497.81740775 config_type=nep2xyz pbc="T T T" virial="-19.03180357364295 -0.0015826899250766181 -0.025023610977562748 -0.0015826899250766181 -27.19523265638139 0.018650075873875824 -0.025023610977562748 0.018650075873875824 -4.068283064707757" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.79049 -0.003652 -0.001278 -0.00123 B 2.965 0.89696 19.76913 0.004731 -0.003637 -0.006427 B 0.74125 4.74933 19.79929 0.005396 -0.01237 0.00209 B 2.965 3.46521 19.77323 0.00322 0.001755 -0.005391 B 0.74125 7.31758 19.79002 -0.004397 0.005682 -0.001373 B 2.965 6.03346 19.80172 0.005191 -0.005832 0.00297 B 0.74125 9.88583 19.76631 -0.004327 0.00126 -0.006702 B 2.965 8.60171 19.79748 -0.001776 0.004415 0.00149 B 0.74125 12.45408 19.79374 -0.002934 -0.007598 -0.00041 B 2.965 11.16996 19.798 -0.001125 -0.004594 0.001515 B 0.74125 15.02233 19.79868 0.005255 0.012629 0.001972 B 2.965 13.73821 19.79884 0.007751 0.009592 0.001935 B 5.18875 2.18108 19.76741 0.022428 0.000858 -0.006468 B 7.4125 0.89696 19.7973 -0.014269 0.001513 0.001202 B 5.18875 4.74933 19.79401 0.010072 -0.012111 -0.000144 B 7.4125 3.46521 19.79731 -0.015924 -0.001731 0.001317 B 5.18875 7.31758 19.80022 0.018813 0.009902 0.002477 B 7.4125 6.03346 19.79876 -0.003299 0.009116 0.001835 B 5.18875 9.88583 19.79101 0.017299 -0.000565 -0.000888 B 7.4125 8.60171 19.77008 -0.013022 -0.014262 -0.006412 B 5.18875 12.45408 19.79983 0.019752 -0.010725 0.00242 B 7.4125 11.16996 19.77285 -0.013745 0.010852 -0.00546 B 5.18875 15.02233 19.791 0.006788 0.009195 -0.001195 B 7.4125 13.73821 19.80158 -0.007089 -0.004025 0.002699 N 1.4825 0.89696 19.78335 -0.001687 -0.001985 -0.002695 N 3.70625 2.18108 19.74504 -0.034862 0.000777 -0.00956 N 1.4825 3.46521 19.78604 -0.001165 0.00335 -0.002105 N 3.70625 4.74933 19.79129 -0.002138 -0.00639 -0.00104 N 1.4825 6.03346 19.80185 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26.3144 -0.002946 0.002139 0.00075 C 4.17303 1.31116 22.80323 -0.027846 0.070865 -0.000106 C 6.34481 2.72342 23.98866 0.042616 -0.017942 0.000175 C 5.6537 5.1894 26.64126 0.006162 0.006773 0.000913 C 4.19193 5.39521 26.85028 -0.009078 -0.003941 -0.000365 C 1.52188 4.30331 24.84361 -0.003664 0.013999 0.000442 C 2.59177 15.17369 23.88548 -0.00318 -0.043559 0.000196 C 1.87855 5.18934 26.01803 -0.008087 0.006367 -0.000165 C 3.70726 4.99689 24.46808 -0.006444 0.025913 5.8e-05 C 3.3403 5.39509 25.80875 0.01007 -0.006902 0.001006 C 3.70735 14.48034 24.46812 -0.012298 -0.024372 8e-05 C 5.54834 2.03376 29.44662 0.002572 -0.000108 0.000474 C 0.73712 3.19827 25.0004 -0.013591 -0.002559 -4.8e-05 C 1.56306 7.4691 24.84375 0.011373 -0.007784 -1.6e-05 C 2.34789 8.57408 25.00058 0.009888 -0.006637 0.000391 C 7.2643 8.57345 29.61011 0.005684 -0.007379 0.000495 C 2.09938 9.73857 24.2011 0.029304 0.001571 0.000443 C 8.6209 9.01576 29.8689 0.017526 -0.000174 0.000305 C 2.98565 8.9497 26.31452 0.004662 0.000744 -0.000554 C 1.8977 10.42805 28.67109 -0.000656 -0.001648 0.00049 C 1.47655 7.25507 27.32158 0.001068 0.004965 -0.000625 C 7.03953 7.46879 28.77432 0.00823 -0.001614 0.000195 C 0.55245 7.19467 28.44019 0.013377 0.007155 0.000596 C 7.26433 10.90354 29.61012 0.005814 0.009659 0.000293 C 2.29398 8.32959 27.46111 -0.012327 0.000281 0.000956 C 0.80271 8.32552 29.28818 0.000945 0.000438 0.000321 C 6.05609 7.25508 25.33775 0.00267 -0.015072 0.001114 C 5.23885 8.32972 25.19782 -0.002241 0.012901 -0.000323 C 0.80273 11.15145 29.28821 0.001177 0.000246 0.000208 C 6.98027 7.19477 24.21972 -0.024121 -0.024505 -3.7e-05 C 4.54722 8.94976 26.34431 -0.006407 -0.002711 0.001247 C 8.62092 10.46122 29.86892 0.016634 -0.001874 0.000336 C 1.8977 9.04891 28.6711 -0.001476 0.002011 3.8e-05 C 1.20634 6.58306 26.01796 0.007418 -0.006705 0.001471 C 8.63958 6.37731 25.80859 -0.008331 0.006372 -0.004081 C 5.96967 7.46904 27.8155 0.002876 -0.001899 0.000751 C 7.0396 12.00828 28.77441 0.008127 -7.9e-05 0.000513 C 6.3262 6.58299 26.64116 -0.006945 -0.008446 -0.000908 C 8.15506 6.77538 28.19097 -0.002251 0.006227 -0.000739 C 7.78796 6.37717 26.85005 0.008803 0.004842 0.00468 C 8.15514 12.70166 28.19105 -0.002209 -0.005887 0.002146 C 1.10132 9.7386 23.21352 -0.01315 -0.001658 -3e-06 C 5.18504 8.57412 27.65833 -0.00683 0.001157 4.2e-05 C 1.52194 15.17385 24.8438 -0.008805 -0.011322 0.000354 C 0.73711 0.86933 25.00051 -0.011846 -0.002259 0.000328 C 4.7157 0.8687 29.61021 -0.006207 -0.006581 0.000467 C 0.98562 2.03382 24.20099 -0.028473 0.000962 0.000466 C 3.3591 1.31101 29.86898 -0.018986 -0.000308 0.000382 C 0.09935 1.24495 26.31449 -0.003645 0.001092 -0.000114 C 1.1873 2.7233 28.67104 0.000841 -0.001147 0.000397 C 1.60845 14.95982 27.32168 -0.001077 0.00517 0.000162 C 4.94047 15.17354 28.77448 -0.009063 -0.002461 0.000415 C 2.53255 14.89942 28.44034 -0.013383 0.006627 0.00041 C 4.71567 3.19879 29.61013 -0.006671 0.00957 0.000437 C 0.79102 0.62484 27.46115 0.011668 0.000112 0.000671 C 2.28229 0.62077 29.28827 -0.002891 0.001007 0.000353 C 5.92391 14.95983 25.33798 -0.002866 -0.011711 0.000557 C 6.74115 0.62497 25.19785 0.002086 0.012287 0.000112 C 2.28227 3.4467 29.28818 -0.001755 -8.1e-05 0.000317 C 4.99973 14.89952 24.22017 0.021823 -0.026832 0.000288 C 7.43278 1.24501 26.34433 0.007203 -0.002787 0.000909 C 3.35908 2.75647 29.86893 -0.018302 -0.001357 0.000353 C 1.1873 1.34416 28.67111 0.000398 0.002176 0.000187 C 1.87866 14.28781 26.01811 -0.007605 -0.006022 0.000432 C 3.34042 14.08206 25.80881 0.008713 0.005537 0.001382 C 6.01033 15.17379 27.81564 -0.002517 -0.001513 0.000596 C 4.9404 4.30353 28.77443 -0.008767 -0.000205 0.000435 C 5.65381 14.28774 26.64131 0.007043 -0.009255 0.000258 C 3.82494 14.48013 28.19114 0.001735 0.006141 0.000715 C 4.19204 14.08192 26.85031 -0.009272 0.003706 -0.000575 C 3.82486 4.99691 28.19107 0.001505 -0.005084 0.000531 C 1.98368 2.03385 23.21315 0.010136 -0.00028 0.000105 C 6.79496 0.86937 27.65834 0.005672 -0.00034 0.000273 C 5.96974 12.0081 27.81559 0.00153 -0.000428 9.1e-05 C 5.18507 10.90303 27.65832 -0.006149 0.00063 0.000768 C 0.26862 10.90365 23.05206 -0.019363 -0.018442 0.000182 C 5.43363 9.73855 28.45739 -0.000419 -7.3e-05 0.000544 C 7.80699 10.46139 22.80189 0.020671 -0.053841 -0.000229 C 4.54723 10.52738 26.34432 -0.006442 0.004008 -0.000631 C 5.63517 9.04906 23.98876 -0.043505 0.015763 0.000535 C 6.05618 12.22205 25.33781 0.004546 0.014808 -0.00098 C 0.49331 12.00829 23.88542 0.002043 0.031859 -9.7e-05 C 6.98034 12.28244 24.21982 -0.018584 0.030862 0.000771 C 0.26856 8.57359 23.05192 -0.025628 0.029657 -5e-06 C 5.23888 11.14747 25.19782 -0.004122 -0.01229 0.001307 C 6.73015 11.15161 23.37377 -0.012545 0.015324 0.000228 C 1.47669 12.22204 27.32169 0.000479 -0.005799 0.001281 C 2.29401 11.14742 27.46117 -0.012675 0.001919 -0.000522 C 6.73011 8.32564 23.37384 -0.007447 -0.012399 0.000108 C 0.55254 12.28236 28.44035 0.01446 -0.006523 -0.000106 C 2.98565 10.52734 26.31449 0.004267 0.001625 0.001174 C 7.80697 9.01591 22.80128 0.019639 0.041841 -0.000145 C 5.63519 10.42817 23.98881 -0.041163 -0.021321 -2.7e-05 C 6.3263 12.89415 26.64122 -0.00549 0.005985 0.002136 C 7.78807 13.09996 26.85031 0.012451 -0.003245 -0.006623 C 1.56312 12.00806 24.84376 0.006673 0.012734 0.000666 C 0.49323 7.46894 23.88527 -0.00065 -0.036868 0.000218 C 1.20645 12.89409 26.01809 0.00711 0.006237 -0.001448 C 8.27274 12.70164 24.46802 0.005513 0.026437 -0.001548 C 8.6397 13.09984 25.80862 -0.012809 -0.006203 0.007218 C 8.27265 6.77559 24.46781 0.014509 -0.025519 0.001371 C 6.43166 9.73851 29.44661 -0.002833 -0.000808 0.00038 C 2.34788 10.90302 25.00053 0.012641 0.000533 -0.000366 168 energy=-1497.81653646 config_type=nep2xyz pbc="T T T" virial="-19.060805297134895 -0.0016254653284570673 -0.04333148362439498 -0.0016254653284570673 -27.227613636740386 0.016981835142038305 -0.04333148362439498 0.016981835142038305 -4.059471331611384" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.79413 -0.001745 0.001186 0.000207 B 2.965 0.89696 19.77687 0.004829 0.009692 -0.00383 B 0.74125 4.74933 19.80045 0.005419 -0.016363 0.002421 B 2.965 3.46521 19.7743 0.004537 -0.007967 -0.00466 B 0.74125 7.31758 19.79098 -0.004749 0.002268 -0.001462 B 2.965 6.03346 19.79987 0.00745 -0.012944 0.002155 B 0.74125 9.88583 19.76024 0.002789 -0.001916 -0.007638 B 2.965 8.60171 19.79629 0.000389 0.002475 0.000613 B 0.74125 12.45408 19.78858 -0.005367 0.000125 -0.002082 B 2.965 11.16996 19.79598 -0.000281 -0.003142 0.000689 B 0.74125 15.02233 19.8008 0.003824 0.015015 0.002531 B 2.965 13.73821 19.80169 0.005444 0.009725 0.002895 B 5.18875 2.18108 19.7652 0.018492 -0.001788 -0.006672 B 7.4125 0.89696 19.79484 -0.020372 0.002175 0.000555 B 5.18875 4.74933 19.78922 0.010443 -0.015366 -0.001385 B 7.4125 3.46521 19.79464 -0.020368 -0.002116 0.000408 B 5.18875 7.31758 19.80134 0.018762 0.00479 0.002362 B 7.4125 6.03346 19.80071 -0.006564 0.000173 0.001808 B 5.18875 9.88583 19.79399 0.014991 0.000307 -0.000427 B 7.4125 8.60171 19.7723 -0.010368 -0.014552 -0.005443 B 5.18875 12.45408 19.80162 0.019729 -0.004411 0.002433 B 7.4125 11.16996 19.7704 -0.011573 0.018913 -0.006195 B 5.18875 15.02233 19.79135 0.011889 0.018564 -0.000611 B 7.4125 13.73821 19.79894 -0.004179 -0.004371 0.001317 N 1.4825 0.89696 19.79041 -0.001128 -0.005513 -0.000298 N 3.70625 2.18108 19.75 -0.043387 0.00315 -0.008147 N 1.4825 3.46521 19.78878 -0.001896 0.003874 -0.0008 N 3.70625 4.74933 19.78647 0.00199 0.008952 -0.00203 N 1.4825 6.03346 19.8023 -0.003486 0.012346 0.002626 N 3.70625 7.31758 19.80469 -0.010275 0.003439 0.003975 N 1.4825 8.60171 19.7785 -0.006681 0.008727 -0.004463 N 3.70625 9.88583 19.79978 -0.010307 0.000968 0.001334 N 1.4825 11.16996 19.77691 -0.00722 -0.009969 -0.004694 N 3.70625 12.45408 19.80533 -0.009077 -0.004863 0.004411 N 1.4825 13.73821 19.80205 -0.004818 -0.013102 0.002615 N 3.70625 15.02233 19.79094 0.001157 -0.003841 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1.58391 23.98867 0.038556 0.009931 0.000412 C 6.16342 4.7569 25.33809 -3.6e-05 0.011379 6.7e-05 C 2.83129 4.54314 23.88516 -0.003446 0.035121 -0.000112 C 5.23926 4.81729 24.22017 0.024105 0.023051 0.000267 C 3.05604 1.10844 23.05136 0.013509 0.015392 0.000218 C 6.98072 3.68232 25.19801 0.000485 -0.008092 0.000153 C 5.48945 3.68646 23.37429 0.011368 0.015511 0.000336 C 1.84791 4.75689 27.32154 -0.000129 -0.006955 0.001588 C 1.03059 3.68227 27.461 0.013125 0.000573 -0.000131 C 5.48949 0.86049 23.37418 0.009222 -0.013106 0.000282 C 2.77206 4.81721 28.44021 -0.012964 -0.006961 -0.000214 C 0.33895 3.06219 26.31429 -0.003187 0.001471 0.000455 C 4.41263 1.55076 22.80241 -0.012667 0.076082 -0.000108 C 6.58441 2.96302 23.98871 0.041461 -0.00794 0.000424 C 5.8933 5.429 26.64135 0.006727 0.008916 0.001809 C 4.43153 5.63481 26.85032 -0.012629 -0.004382 -0.008543 C 1.76148 4.54291 24.84348 -0.002725 0.014965 0.000749 C 2.83137 0.00379 23.88518 -0.004623 -0.03148 -6e-06 C 2.11815 5.42894 26.01798 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0.000352 C 6.29569 7.49468 25.33788 0.006913 -0.015282 5.6e-05 C 5.47845 8.56932 25.19796 -0.005249 0.015662 0.000423 C 1.04233 11.39105 29.28836 0.00053 0.001469 0.000392 C 7.21987 7.43437 24.21994 -0.021562 -0.032396 0.000553 C 4.78682 9.18936 26.34448 -0.006966 -0.003059 0.000583 C 8.86052 10.70082 29.86907 0.018002 -0.002605 0.000443 C 2.1373 9.28851 28.67128 -0.001108 0.002019 0.000276 C 1.44594 6.82266 26.01815 0.006832 -0.005724 0.000402 C 8.87918 6.61691 25.80873 -0.01216 0.006999 0.004803 C 6.20927 7.70864 27.8157 0.002535 -0.001244 0.000394 C 7.2792 12.24788 28.77451 0.008478 -0.000121 0.000475 C 6.5658 6.82259 26.64133 -0.006488 -0.00681 0.001181 C 8.39466 7.01498 28.19115 -0.00229 0.006211 0.001492 C 8.02756 6.61677 26.85038 0.010886 0.002068 -0.003858 C 8.39474 12.94126 28.19114 -0.001624 -0.006206 0.000402 C 1.34092 9.9782 23.21407 -0.00907 0.000437 0.000728 C 5.42464 8.81372 27.65847 -0.006563 0.000673 0.000551 C 1.76154 0.00395 24.84342 -0.000525 -0.017253 0.000491 C 0.97671 1.10893 25.00018 -0.015366 0.007544 0.000125 C 4.9553 1.1083 29.61019 -0.006376 -0.007202 0.000436 C 1.22522 2.27342 24.20065 -0.024819 -0.002784 0.000372 C 3.5987 1.55061 29.86885 -0.019386 -0.00147 0.000317 C 0.33895 1.48455 26.31431 -0.001992 0.000808 0.000236 C 1.4269 2.9629 28.67097 0.000881 -0.001596 0.00031 C 1.84805 15.19942 27.32148 -0.000304 0.005759 0.001 C 5.18007 0.00364 28.77441 -0.008069 -0.002041 0.000497 C 2.77215 15.13902 28.44017 -0.013911 0.006735 -1e-05 C 4.95527 3.43839 29.61015 -0.00591 0.009787 0.000235 C 1.03062 0.86444 27.46099 0.012633 0.00111 0.000134 C 2.52189 0.86037 29.28812 -0.00193 0.001823 0.000234 C 6.16351 15.19943 25.33801 -0.000182 -0.010675 0.000302 C 6.98075 0.86457 25.19794 0.001616 0.008384 8.6e-05 C 2.52187 3.6863 29.28811 -0.002181 -8.4e-05 0.000212 C 5.23933 15.13912 24.22008 0.021751 -0.025798 0.000177 C 7.67238 1.48461 26.34437 0.007422 -0.002505 0.00051 C 3.59868 2.99607 29.86883 -0.01825 -0.001112 0.000338 C 1.4269 1.58376 28.67101 0.000336 0.001891 0.000236 C 2.11826 14.52741 26.01793 -0.008902 -0.006535 -0.001064 C 3.58002 14.32166 25.80863 0.008523 0.005074 0.005247 C 6.24993 0.00389 27.81561 -0.001884 -0.001116 0.000233 C 5.18 4.54313 28.77444 -0.009815 6.8e-05 0.000574 C 5.89341 14.52734 26.64131 0.0058 -0.009085 0.001147 C 4.06454 14.71973 28.19105 0.001335 0.00538 0.001622 C 4.43164 14.32152 26.85025 -0.011054 0.003111 -0.00468 C 4.06446 5.23651 28.19105 0.000431 -0.005775 0.002703 C 2.22328 2.27345 23.21236 0.003388 -0.001034 0.000139 C 7.03456 1.10897 27.65839 0.006767 0.000149 0.000518 C 6.20934 12.2477 27.81571 0.001881 0.000429 0.000585 C 5.42467 11.14263 27.65846 -0.006349 -0.000128 0.00038 C 0.50822 11.14325 23.05221 -0.024412 -0.023526 -4.2e-05 C 5.67323 9.97815 28.45752 -0.001105 0.000841 0.000532 C 8.04659 10.70099 22.80229 0.025895 -0.051168 -0.000135 C 4.78683 10.76698 26.34449 -0.007519 0.004643 0.000811 C 5.87477 9.28866 23.98913 -0.04234 0.023585 0.000368 C 6.29578 12.46165 25.33795 0.005861 0.017181 0.000756 C 0.73291 12.24789 23.88551 -0.000994 0.039278 0.000791 C 7.21994 12.52204 24.22001 -0.024806 0.030088 0.000269 C 0.50816 8.81319 23.05218 -0.017957 0.019498 4.6e-05 C 5.47848 11.38707 25.19803 -0.004156 -0.015406 5.1e-05 C 6.96975 11.39121 23.37409 -0.013541 0.01483 0.000255 C 1.71629 12.46164 27.32184 8.3e-05 -0.004532 2.3e-05 C 2.53361 11.38702 27.46136 -0.012592 0.001949 0.000529 C 6.96971 8.56524 23.37393 -0.016283 -0.018658 0.000264 C 0.79214 12.52196 28.44046 0.01143 -0.007151 0.000423 C 3.22525 10.76694 26.31473 0.00435 0.001631 -7.6e-05 C 8.04657 9.25551 22.80252 0.024708 0.055152 -0.000165 C 5.87479 10.66777 23.98914 -0.045464 -0.021624 0.000475 C 6.5659 13.13375 26.64134 -0.007721 0.007393 3e-05 C 8.02767 13.33956 26.85032 0.010106 -0.004387 0.000568 C 1.80272 12.24766 24.84404 0.013308 0.004967 -0.00042 C 0.73283 7.70854 23.88556 0.000182 -0.038414 0.000727 C 1.44605 13.13369 26.01818 0.00696 0.006094 0.001006 C 8.51234 12.94124 24.46804 0.014297 0.025899 0.000162 C 8.8793 13.33944 25.80877 -0.009891 -0.00719 0.000193 C 8.51225 7.01519 24.46811 0.010088 -0.02678 -0.001053 C 6.67126 9.97811 29.44675 -0.002811 -0.000435 0.000596 C 2.58748 11.14262 25.00085 0.009172 0.011863 0.001236 168 energy=-1497.81467891 config_type=nep2xyz pbc="T T T" virial="-19.114402877570598 -0.008255652852426684 -0.0443153179021453 -0.008255652852426684 -27.31346387132495 0.012105439156667107 -0.0443153179021453 0.012105439156667107 -4.004547713670887" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.79757 -0.000784 0.003472 0.001231 B 2.965 0.89696 19.78352 0.004682 0.015395 -0.001914 B 0.74125 4.74933 19.8013 0.004392 -0.017851 0.002402 B 2.965 3.46521 19.77496 0.004341 -0.015074 -0.004173 B 0.74125 7.31758 19.79164 -0.003728 0.001365 -0.0016 B 2.965 6.03346 19.79739 0.00925 -0.016782 0.001238 B 0.74125 9.88583 19.75688 0.00778 -0.002736 -0.008181 B 2.965 8.60171 19.79528 0.000311 0.002438 4e-05 B 0.74125 12.45408 19.78332 -0.007021 0.004767 -0.003315 B 2.965 11.16996 19.79455 8e-06 -0.002559 0.000186 B 0.74125 15.02233 19.80217 0.001562 0.012276 0.002716 B 2.965 13.73821 19.80351 0.002255 0.007848 0.00339 B 5.18875 2.18108 19.76399 0.014283 -0.005252 -0.006644 B 7.4125 0.89696 19.79329 -0.022928 0.002147 0.000168 B 5.18875 4.74933 19.78351 0.012899 -0.015662 -0.002351 B 7.4125 3.46521 19.79177 -0.023711 -0.00125 -0.0002 B 5.18875 7.31758 19.80179 0.017678 0.000542 0.001909 B 7.4125 6.03346 19.80171 -0.0085 -0.005501 0.001458 B 5.18875 9.88583 19.79674 0.011124 0.000127 -0.000131 B 7.4125 8.60171 19.77508 -0.005717 -0.007343 -0.004867 B 5.18875 12.45408 19.80295 0.018427 -2e-05 0.002279 B 7.4125 11.16996 19.76821 -0.007669 0.020571 -0.006667 B 5.18875 15.02233 19.79182 0.016649 0.025786 -0.000114 B 7.4125 13.73821 19.79588 -0.000754 -0.00691 8.8e-05 N 1.4825 0.89696 19.79656 0.003784 -0.003721 0.001357 N 3.70625 2.18108 19.75545 -0.039579 0.013953 -0.007117 N 1.4825 3.46521 19.79142 9.8e-05 0.003617 8.2e-05 N 3.70625 4.74933 19.78078 0.002464 0.019757 -0.00259 N 1.4825 6.03346 19.80228 -0.001404 0.014097 0.002079 N 3.70625 7.31758 19.80383 -0.011898 0.004234 0.002796 N 1.4825 8.60171 19.77656 -0.003864 0.01123 -0.00456 N 3.70625 9.88583 19.7999 -0.010986 0.001913 0.00115 N 1.4825 11.16996 19.77155 -0.00933 -0.018158 -0.005479 N 3.70625 12.45408 19.80609 -0.01069 -0.008211 0.004167 N 1.4825 13.73821 19.80102 -0.006104 -0.017834 0.002092 N 3.70625 15.02233 19.79603 -1.3e-05 -0.000381 0.000909 N 5.93 0.89696 19.77433 0.003398 -0.007109 -0.003509 N 8.15375 2.18108 19.79856 0.00733 0.000375 0.001052 N 5.93 3.46521 19.76913 0.013661 -0.001353 -0.004749 N 8.15375 4.74933 19.80336 6.5e-05 0.002014 0.002885 N 5.93 6.03346 19.79975 -0.008403 -0.005107 0.001344 N 8.15375 7.31758 19.79284 0.008651 0.020543 -0.00172 N 5.93 8.60171 19.79302 0.012905 0.004742 -0.000711 N 8.15375 9.88583 19.73967 0.009345 -0.010657 -0.009337 N 5.93 11.16996 19.79169 0.017219 -0.011778 -0.001666 N 8.15375 12.45408 19.77735 0.006218 -0.001085 -0.004809 N 5.93 13.73821 19.80135 -0.003172 -0.002623 0.002007 N 8.15375 15.02233 19.80208 -0.000507 -0.003167 0.002539 C 6.48946 4.78255 27.81579 -0.00224 0.00032 -0.000609 C 7.27413 3.67748 27.65852 0.00618 0.000443 0.001499 C 3.29558 3.6781 23.05116 0.02653 -0.023793 -0.000163 C 7.02557 2.513 28.4576 0.000482 -4.1e-05 2.5e-05 C 4.65221 3.23584 22.80151 -0.022426 -0.075351 -3.1e-05 C 7.91197 3.30183 26.34452 0.007192 0.003926 -0.001835 C 6.82403 1.82351 23.98866 0.030713 -8.6e-05 0.000589 C 6.40302 4.9965 25.33822 0.000726 0.009018 -0.002656 C 3.07089 4.78274 23.88514 -0.00235 0.03509 0.001197 C 5.47886 5.05689 24.22018 0.026448 0.014871 0.001762 C 3.29564 1.34804 23.05156 0.011477 0.00624 -0.000108 C 7.22032 3.92192 25.19804 0.000393 -0.007613 0.002868 C 5.72905 3.92606 23.37436 0.016708 0.015861 -3.3e-05 C 2.08751 4.99649 27.32166 -0.002615 -0.005983 -0.002035 C 1.27019 3.92187 27.46109 0.013485 0.001281 0.000958 C 5.72909 1.10009 23.37429 0.009467 7e-05 0.00012 C 3.01166 5.05681 28.44025 -0.013881 -0.006898 0.001291 C 0.57855 3.30179 26.31442 -0.00391 0.000797 0.000329 C 4.65223 1.79036 22.80114 -0.006873 0.069133 2e-06 C 6.82401 3.20262 23.98863 0.033076 0.003636 -0.000411 C 6.1329 5.6686 26.64139 0.006693 0.008803 0.002078 C 4.67113 5.87441 26.85025 -0.00756 -0.005835 0.006803 C 2.00108 4.78251 24.84358 -0.001552 0.01279 -0.001112 C 3.07097 0.24339 23.8853 -0.005962 -0.018456 0.000922 C 2.35775 5.66854 26.01799 -0.009031 0.00703 0.003443 C 4.18646 5.47609 24.46808 -0.017504 0.017676 0.001358 C 3.8195 5.87429 25.80888 0.005041 -0.005247 -0.006596 C 4.18655 14.95954 24.46826 -0.004564 -0.019688 0.001241 C 6.02754 2.51296 29.44683 0.002476 4.6e-05 0.00058 C 1.21632 3.67747 25.00033 -0.015969 -0.004505 0.001194 C 2.04226 7.9483 24.84396 0.006672 -0.009012 0.001409 C 2.82709 9.05328 25.0009 0.013334 -0.002975 -0.000207 C 7.7435 9.05265 29.61031 0.006251 -0.007614 0.000655 C 2.57858 10.21777 24.2015 0.017739 -0.006126 0.001609 C 0.2051 9.49496 29.86918 0.019057 -0.000552 0.000515 C 3.46485 9.4289 26.31484 0.004528 0.000323 -0.000328 C 2.3769 10.90725 28.67146 -0.001608 -0.00096 0.000822 C 1.95575 7.73427 27.32186 0.001419 0.004246 0.002336 C 7.51873 7.94799 28.77455 0.008342 -0.001295 -5.4e-05 C 1.03165 7.67387 28.44056 0.013108 0.005471 -0.00052 C 7.74353 11.38274 29.61037 0.006024 0.008473 0.000632 C 2.77318 8.80879 27.46145 -0.011529 -1.9e-05 4e-06 C 1.28191 8.80472 29.28845 0.000967 -0.000328 0.000613 C 6.53529 7.73428 25.33772 0.010372 -0.016715 0.004638 C 5.71805 8.80892 25.19793 -0.006372 0.017939 -0.003056 C 1.28193 11.63065 29.28856 0.003279 0.000145 0.000598 C 7.45947 7.67397 24.21994 -0.018094 -0.031046 -0.001513 C 5.02642 9.42896 26.34446 -0.006621 -0.002995 0.004189 C 0.20512 10.94042 29.86921 0.017651 -0.002848 0.000525 C 2.3769 9.52811 28.67137 -0.000262 0.001959 0.000537 C 1.68554 7.06226 26.01827 0.00658 -0.005909 -0.001304 C 0.22378 6.85651 25.8089 -0.010867 0.007771 -0.00219 C 6.44887 7.94824 27.81567 0.002952 -0.000963 0.001823 C 7.5188 12.48748 28.77471 0.008061 -1.5e-05 0.000731 C 6.8054 7.06219 26.64136 -0.005672 -0.005494 -0.00312 C 8.63426 7.25458 28.1912 -0.002486 0.007008 0.000261 C 8.26716 6.85637 26.85036 0.008571 0.001748 0.003353 C 8.63434 13.18086 28.19142 -0.001106 -0.004502 -0.000155 C 1.58052 10.2178 23.21431 -0.000408 -0.00029 -0.000237 C 5.66424 9.05332 27.65848 -0.00613 -0.000141 -0.000911 C 2.00114 0.24355 24.84355 0.001804 -0.019788 -0.000824 C 1.21631 1.34853 25.00023 -0.016902 0.010104 0.001435 C 5.1949 1.3479 29.61031 -0.005157 -0.007328 0.000467 C 1.46482 2.51302 24.20076 -0.020406 -0.003128 -0.000958 C 3.8383 1.79021 29.86889 -0.02025 -0.002417 0.000387 C 0.57855 1.72415 26.3144 -0.002866 0.001183 -0.000866 C 1.6665 3.2025 28.67105 0.000342 -0.00126 0.000153 C 2.08765 0.02952 27.32159 0.000323 0.005576 -0.00145 C 5.41967 0.24324 28.77457 -0.009008 -0.002139 0.000478 C 3.01175 15.37862 28.44024 -0.014784 0.006922 0.001067 C 5.19487 3.67799 29.61029 -0.005651 0.009992 0.000441 C 1.27022 1.10404 27.46104 0.012645 0.001635 0.001237 C 2.76149 1.09997 29.28819 -0.003068 0.002353 0.000296 C 6.40311 0.02953 25.33815 0.001778 -0.008597 0.000674 C 7.22035 1.10417 25.19811 0.001112 0.006398 -0.000262 C 2.76147 3.9259 29.28818 -0.002712 -0.001872 0.000321 C 5.47893 15.37872 24.22018 0.019912 -0.02659 0.000401 C 7.91198 1.72421 26.3445 0.007296 -0.002608 0.001554 C 3.83828 3.23567 29.86889 -0.020159 -5.6e-05 0.000292 C 1.6665 1.82336 28.67106 0.000343 0.002541 0.00014 C 2.35786 14.76701 26.01801 -0.00967 -0.007889 0.002615 C 3.81962 14.56126 25.80889 0.005203 0.004891 -0.004857 C 6.48953 0.24349 27.81578 -0.003004 -0.001256 0.000527 C 5.4196 4.78273 28.77455 -0.010234 0.000586 0.000763 C 6.13301 14.76694 26.64148 0.005102 -0.007221 -0.000643 C 4.30414 14.95933 28.19125 0.002906 0.00468 -0.001239 C 4.67124 14.56112 26.85031 -0.007256 0.004184 0.005797 C 4.30406 5.47611 28.19123 0.002568 -0.003739 -0.00172 C 2.46288 2.51305 23.21217 -0.005791 -0.007977 0.000712 C 7.27416 1.34857 27.65855 0.006897 0.000507 0.000194 C 6.44894 12.4873 27.81592 0.001335 0.000675 -7.9e-05 C 5.66427 11.38223 27.65855 -0.004834 -0.00057 0.001878 C 0.74782 11.38285 23.05284 -0.030674 -0.02438 0.000278 C 5.91283 10.21775 28.45757 -0.000793 -0.001569 0.000681 C 8.28619 10.94059 22.8025 0.031901 -0.048362 -4.3e-05 C 5.02643 11.00658 26.34467 -0.00731 0.004155 -0.003113 C 6.11437 9.52826 23.98904 -0.035327 0.019608 0.001464 C 6.53538 12.70125 25.33824 0.0071 0.016414 -0.001756 C 0.97251 12.48749 23.88586 -0.002252 0.039524 5.1e-05 C 7.45954 12.76164 24.22035 -0.027187 0.029989 0.001311 C 0.74776 9.05279 23.05211 -0.008243 0.013981 0.000327 C 5.71808 11.62667 25.19814 -0.003834 -0.015005 0.003572 C 7.20935 11.63081 23.37447 -0.017642 0.009136 0.000225 C 1.95589 12.70124 27.32206 0.001776 -0.004336 0.00162 C 2.77321 11.62662 27.4616 -0.011523 0.001641 -0.000924 C 7.20931 8.80484 23.37361 -0.034029 -0.026539 0.000436 C 1.03174 12.76156 28.44066 0.011712 -0.007026 5.9e-05 C 3.46485 11.00654 26.31492 0.004572 0.000749 0.002759 C 8.28617 9.49511 22.80248 0.029818 0.074904 -0.000103 C 6.11439 10.90737 23.98927 -0.043878 -0.014266 -0.000614 C 6.8055 13.37335 26.64155 -0.008072 0.007733 0.001688 C 8.26727 13.57916 26.85055 0.008453 -0.00559 0.002898 C 2.04232 12.48726 24.84443 0.020008 0.000337 0.001218 C 0.97243 7.94814 23.88565 6.3e-05 -0.036837 -0.000463 C 1.68565 13.37329 26.01848 0.006961 0.007423 -0.000483 C 8.75194 13.18084 24.46834 0.012654 0.023889 0.000911 C 0.2239 13.57904 25.80908 -0.009035 -0.00557 -0.0017 C 8.75185 7.25479 24.4682 0.006631 -0.028109 0.001738 C 6.91086 10.21771 29.4468 -0.003078 -0.000527 0.000584 C 2.82708 11.38222 25.00119 0.005 0.016933 -0.00104 168 energy=-1497.81293885 config_type=nep2xyz pbc="T T T" virial="-19.154055676504278 -0.019976113378669745 -0.04050830700128533 -0.019976113378669745 -27.39905745348923 0.006758513734110965 -0.04050830700128533 0.006758513734110965 -3.9572808929354912" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.80007 -0.000302 0.005128 0.001888 B 2.965 0.89696 19.78807 0.004839 0.013595 -0.001012 B 0.74125 4.74933 19.80161 0.002839 -0.015726 0.002231 B 2.965 3.46521 19.77505 0.001589 -0.015624 -0.00467 B 0.74125 7.31758 19.79276 -0.001535 0.004941 -0.001251 B 2.965 6.03346 19.79494 0.010252 -0.016084 0.000334 B 0.74125 9.88583 19.75788 0.008766 0.000195 -0.008251 B 2.965 8.60171 19.79506 -0.002661 0.004528 9.4e-05 B 0.74125 12.45408 19.77902 -0.006832 0.003592 -0.004243 B 2.965 11.16996 19.7938 -0.003011 -0.00262 0.000139 B 0.74125 15.02233 19.80261 -0.000642 0.004979 0.00299 B 2.965 13.73821 19.804 -0.001299 0.00237 0.003804 B 5.18875 2.18108 19.76294 0.013188 -0.010701 -0.007492 B 7.4125 0.89696 19.79293 -0.021408 0.001074 -0.000375 B 5.18875 4.74933 19.7772 0.016556 -0.010579 -0.004253 B 7.4125 3.46521 19.78814 -0.024176 0.001086 -0.00131 B 5.18875 7.31758 19.80163 0.01565 -0.002085 0.001645 B 7.4125 6.03346 19.80164 -0.008685 -0.006729 0.001023 B 5.18875 9.88583 19.79898 0.006783 0.000884 0.000542 B 7.4125 8.60171 19.77898 0.000205 0.00337 -0.004169 B 5.18875 12.45408 19.80341 0.015132 0.000814 0.002439 B 7.4125 11.16996 19.76737 -0.00192 0.015657 -0.006827 B 5.18875 15.02233 19.79262 0.019332 0.027315 5.6e-05 B 7.4125 13.73821 19.79302 0.002942 -0.011779 -0.000795 N 1.4825 0.89696 19.80091 0.009474 -0.000757 0.00286 N 3.70625 2.18108 19.75993 -0.027998 0.023772 -0.007395 N 1.4825 3.46521 19.79342 0.005072 0.002375 0.000547 N 3.70625 4.74933 19.77527 -0.000698 0.020631 -0.004257 N 1.4825 6.03346 19.80206 0.00093 0.011812 0.001873 N 3.70625 7.31758 19.80277 -0.012011 0.001292 0.002445 N 1.4825 8.60171 19.77694 0.000165 0.006161 -0.004595 N 3.70625 9.88583 19.80014 -0.009331 0.001107 0.001454 N 1.4825 11.16996 19.76866 -0.009566 -0.023866 -0.006407 N 3.70625 12.45408 19.80602 -0.011202 -0.007905 0.004527 N 1.4825 13.73821 19.7992 -0.006872 -0.016769 0.002066 N 3.70625 15.02233 19.79902 -0.003358 0.004835 0.00191 N 5.93 0.89696 19.77395 -0.002604 -0.012528 -0.004118 N 8.15375 2.18108 19.79841 0.001818 0.000821 0.000842 N 5.93 3.46521 19.76079 0.024488 0.005717 -0.006886 N 8.15375 4.74933 19.80215 -0.002405 -0.000653 0.002343 N 5.93 6.03346 19.79719 -0.01186 -0.009893 0.000264 N 8.15375 7.31758 19.79596 0.007426 0.019007 -0.001186 N 5.93 8.60171 19.79632 0.013332 0.003466 0.000136 N 8.15375 9.88583 19.74352 -0.012014 -0.013335 -0.009844 N 5.93 11.16996 19.79371 0.020881 -0.009623 -0.001389 N 8.15375 12.45408 19.7711 0.004326 0.004249 -0.00625 N 5.93 13.73821 19.80086 -0.000894 -0.003256 0.001773 N 8.15375 15.02233 19.80112 -0.001776 -0.00073 0.00193 C 6.72906 5.02215 27.81584 -0.002371 -0.000831 0.000288 C 7.51373 3.91708 27.65858 0.005299 -0.000308 0.000917 C 3.53518 3.9177 23.05164 0.028211 -0.027353 0.000106 C 7.26517 2.7526 28.45767 0.000355 -0.000178 0.000566 C 4.89181 3.47544 22.801 -0.031769 -0.076853 6.9e-05 C 8.15157 3.54143 26.34456 0.006878 0.003868 -0.000264 C 7.06363 2.06311 23.98866 0.027579 -0.008244 0.000658 C 6.64262 5.2361 25.33814 -0.002521 0.010243 -0.000133 C 3.31049 5.02234 23.8854 -0.003506 0.036995 0.000606 C 5.71846 5.29649 24.22024 0.024511 0.013297 0.000698 C 3.53524 1.58764 23.0528 0.019259 0.010459 0.000158 C 7.45992 4.16152 25.19802 0.001285 -0.011073 0.001275 C 5.96865 4.16566 23.37413 0.029299 0.020768 0.000247 C 2.32711 5.23609 27.32181 -0.001867 -0.005608 -0.000342 C 1.50979 4.16147 27.46132 0.012655 0.001344 0.000461 C 5.96869 1.33969 23.37433 0.013716 0.008008 0.000363 C 3.25126 5.29641 28.44039 -0.013247 -0.006565 0.000778 C 0.81815 3.54139 26.31469 -0.005605 0.000674 0.000681 C 4.89183 2.02996 22.80053 -0.01383 0.057525 0.000148 C 7.06361 3.44222 23.98859 0.026824 0.010652 0.000215 C 6.3725 5.9082 26.64144 0.00597 0.008133 0.000476 C 4.91073 6.11401 26.85041 -0.006797 -0.004746 0.005682 C 2.24068 5.02211 24.84381 -0.003635 0.009896 2e-05 C 3.31057 0.48299 23.88581 -0.00882 -0.016438 0.00062 C 2.59735 5.90814 26.01817 -0.008485 0.006326 0.001643 C 4.42606 5.71569 24.46828 -0.013711 0.017442 0.001591 C 4.0591 6.11389 25.80903 0.005724 -0.005039 -0.004874 C 4.42615 15.19914 24.46869 0.00384 -0.018409 0.00136 C 6.26714 2.75256 29.4469 0.002291 -6e-06 0.000626 C 1.45592 3.91707 25.00068 -0.016674 -0.003166 0.000582 C 2.28186 8.1879 24.84385 0.003269 -0.010038 0.000148 C 3.06669 9.29288 25.00083 0.014446 0.001361 0.000799 C 7.9831 9.29225 29.61027 0.00643 -0.00789 0.000666 C 2.81818 10.45737 24.20149 0.012227 -0.00695 0.000339 C 0.4447 9.73456 29.86913 0.018101 -0.001808 0.000496 C 3.70445 9.6685 26.31483 0.004717 5.7e-05 -0.000713 C 2.6165 11.14685 28.67153 -0.00053 -0.001422 0.000789 C 2.19535 7.97387 27.32185 0.001133 0.004532 -0.000128 C 7.75833 8.18759 28.77448 0.008512 -0.001416 0.000251 C 1.27125 7.91347 28.44049 0.012896 0.00622 0.000625 C 7.98313 11.62234 29.6105 0.004796 0.007898 0.000671 C 3.01278 9.04839 27.46143 -0.012531 0.000479 0.001117 C 1.52151 9.04432 29.28844 0.001091 0.000803 0.000577 C 6.77489 7.97388 25.33763 0.009593 -0.014559 0.002515 C 5.95765 9.04852 25.19773 -0.004397 0.016511 -0.001202 C 1.52153 11.87025 29.28866 0.005186 -0.000121 0.000587 C 7.69907 7.91357 24.21979 -0.01939 -0.019886 -0.000507 C 5.26602 9.66856 26.3444 -0.006382 -0.00299 0.00238 C 0.44472 11.18002 29.86925 0.017085 -0.002489 0.000542 C 2.6165 9.76771 28.6714 -0.000138 0.00161 0.000267 C 1.92514 7.30186 26.01816 0.006354 -0.007309 0.001495 C 0.46338 7.09611 25.80886 -0.00864 0.007959 -0.00616 C 6.68847 8.18784 27.81561 0.002703 5.2e-05 0.001235 C 7.7584 12.72708 28.77484 0.007269 0.000567 0.000607 C 7.045 7.30179 26.64125 -0.005704 -0.004782 -0.001871 C 8.87386 7.49418 28.19118 -0.002343 0.005992 -0.001124 C 8.50676 7.09597 26.85025 0.006515 0.001507 0.00707 C 8.87394 13.42046 28.19164 -0.001356 -0.002808 -0.000466 C 1.82012 10.4574 23.21391 0.012193 -4.7e-05 0.000282 C 5.90384 9.29292 27.65843 -0.005949 0.000625 -0.000227 C 2.24074 0.48315 24.84414 -0.005048 -0.015408 4e-06 C 1.45591 1.58813 25.0007 -0.013565 0.004871 0.000872 C 5.4345 1.5875 29.61049 -0.004748 -0.006574 0.000671 C 1.70442 2.75262 24.20121 -0.017521 -0.00195 2.9e-05 C 4.0779 2.02981 29.86913 -0.017911 -0.00198 0.000572 C 0.81815 1.96375 26.31473 -0.004603 0.001004 -0.000174 C 1.9061 3.4421 28.67124 6.2e-05 -0.00095 0.000499 C 2.32725 0.26912 27.32194 -0.001298 0.005073 -0.000551 C 5.65927 0.48284 28.77476 -0.008205 -0.001589 0.000576 C 3.25135 0.20872 28.44058 -0.014526 0.006712 0.00096 C 5.43447 3.91759 29.6104 -0.004903 0.010007 0.000615 C 1.50982 1.34364 27.46139 0.012448 0.00133 0.001059 C 3.00109 1.33957 29.2885 -0.004091 0.001094 0.000614 C 6.64271 0.26913 25.33826 0.000603 -0.007833 0.001113 C 7.45995 1.34377 25.19814 0.002124 0.008282 0.000125 C 3.00107 4.1655 29.28834 -0.001798 -0.001909 0.000459 C 5.71853 0.20882 24.22039 0.018557 -0.029792 0.000282 C 8.15158 1.96381 26.3446 0.007196 -0.00233 0.00117 C 4.07788 3.47527 29.86906 -0.019437 0.00052 0.000484 C 1.9061 2.06296 28.67137 -0.000624 0.000813 0.000343 C 2.59746 15.00661 26.01842 -0.009753 -0.009947 0.001766 C 4.05922 14.80086 25.80923 0.003693 0.003173 -0.003186 C 6.72913 0.48309 27.81592 -0.002362 -0.000796 0.000756 C 5.6592 5.02233 28.77466 -0.009133 0.000972 0.000586 C 6.37261 15.00654 26.64164 0.005445 -0.006198 -0.00036 C 4.54374 15.19893 28.19155 0.004218 0.003565 -0.000509 C 4.91084 14.80072 26.85063 -0.005797 0.004467 0.004376 C 4.54366 5.71571 28.19136 0.002376 -0.00342 -0.000982 C 2.70248 2.75265 23.21274 -0.013982 -0.012681 0.000476 C 7.51376 1.58817 27.65863 0.006099 0.000329 0.000421 C 6.68854 12.7269 27.81603 0.001298 0.000617 0.000406 C 5.90387 11.62183 27.65863 -0.005428 0.000455 0.001147 C 0.98742 11.62245 23.05324 -0.032567 -0.020862 0.000161 C 6.15243 10.45735 28.4576 -0.000959 -0.002863 0.000682 C 8.52579 11.18019 22.80199 0.034556 -0.047026 -2e-05 C 5.26603 11.24618 26.34469 -0.007863 0.003534 -0.001283 C 6.35397 9.76786 23.98861 -0.024643 0.005343 0.000882 C 6.77498 12.94085 25.33839 0.003197 0.014302 -0.00019 C 1.21211 12.72709 23.88609 -0.000877 0.031278 0.000513 C 7.69914 13.00124 24.22059 -0.026326 0.026629 0.000762 C 0.98736 9.29239 23.05168 -0.00111 0.013687 6.1e-05 C 5.95768 11.86627 25.19822 -0.002471 -0.013226 0.001926 C 7.44895 11.87041 23.37467 -0.020523 0.000577 0.000258 C 2.19549 12.94084 27.32223 5.2e-05 -0.004107 0.000832 C 3.01281 11.86622 27.4617 -0.011976 0.001321 -0.000453 C 7.44891 9.04444 23.37324 -0.047236 -0.030257 0.000268 C 1.27134 13.00116 28.4408 0.01336 -0.006437 0.000413 C 3.70445 11.24614 26.315 0.004058 -0.000175 0.001827 C 8.52577 9.73471 22.80107 0.031417 0.085638 -9.7e-05 C 6.35399 11.14697 23.98905 -0.037429 0.000114 7.6e-05 C 7.0451 13.61295 26.64171 -0.008137 0.00812 0.000521 C 8.50687 13.81876 26.85072 0.00658 -0.005536 0.004418 C 2.28192 12.72686 24.84467 0.02003 0.001467 0.000509 C 1.21203 8.18774 23.8855 0.000559 -0.031242 0.000327 C 1.92525 13.61289 26.01868 0.007192 0.008193 0.000673 C 0.09654 13.42044 24.46862 0.009976 0.021831 0.001336 C 0.4635 13.81864 25.80933 -0.007085 -0.0042 -0.003256 C 0.09645 7.49439 24.46814 0.007143 -0.026151 0.002165 C 7.15046 10.45731 29.44683 -0.003107 -0.000843 0.000613 C 3.06668 11.62182 25.00126 0.005861 0.014964 -1e-06 168 energy=-1497.81279445 config_type=nep2xyz pbc="T T T" virial="-19.191783582285833 -0.026649076306019814 -0.0032937060602945835 -0.026649076306019814 -27.443458322198133 0.01146380810596037 -0.0032937060602945835 0.01146380810596037 -3.9494957695202495" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.80141 -0.000187 0.004926 0.002056 B 2.965 0.89696 19.79052 0.006415 0.008716 -0.000418 B 0.74125 4.74933 19.80167 0.001529 -0.010743 0.002071 B 2.965 3.46521 19.77508 -0.002496 -0.010584 -0.005334 B 0.74125 7.31758 19.79473 0.001201 0.011926 -0.000257 B 2.965 6.03346 19.79338 0.009694 -0.01248 -0.000224 B 0.74125 9.88583 19.76226 0.006286 0.005813 -0.007816 B 2.965 8.60171 19.79589 -0.006429 0.008456 0.000947 B 0.74125 12.45408 19.77614 -0.005027 -0.003049 -0.004596 B 2.965 11.16996 19.79321 -0.009933 -0.002259 0.00034 B 0.74125 15.02233 19.80239 -0.001448 -0.004195 0.003168 B 2.965 13.73821 19.80348 -0.004433 -0.005524 0.003998 B 5.18875 2.18108 19.76175 0.01381 -0.01821 -0.008451 B 7.4125 0.89696 19.79368 -0.016338 -0.001199 -0.000793 B 5.18875 4.74933 19.77118 0.018657 0.000399 -0.006217 B 7.4125 3.46521 19.78393 -0.020496 0.002947 -0.002584 B 5.18875 7.31758 19.80113 0.013402 -0.003066 0.001644 B 7.4125 6.03346 19.80071 -0.00749 -0.004336 0.000548 B 5.18875 9.88583 19.8006 0.001929 0.002932 0.001654 B 7.4125 8.60171 19.78372 0.005827 0.013433 -0.002955 B 5.18875 12.45408 19.80323 0.010213 -0.001489 0.002888 B 7.4125 11.16996 19.76844 0.004873 0.007777 -0.006452 B 5.18875 15.02233 19.79406 0.018809 0.02273 0.000211 B 7.4125 13.73821 19.79134 0.006665 -0.017852 -0.000878 N 1.4825 0.89696 19.80311 0.012069 0.002999 0.003635 N 3.70625 2.18108 19.763 -0.016243 0.023872 -0.008029 N 1.4825 3.46521 19.79489 0.011499 0.000764 0.000476 N 3.70625 4.74933 19.7712 -0.005115 0.014041 -0.00635 N 1.4825 6.03346 19.80221 0.003562 0.005846 0.002167 N 3.70625 7.31758 19.80212 -0.01083 -0.003774 0.002696 N 1.4825 8.60171 19.77983 0.002231 -0.003552 -0.003443 N 3.70625 9.88583 19.80031 -0.005895 -0.001881 0.002381 N 1.4825 11.16996 19.76724 -0.003215 -0.022509 -0.007057 N 3.70625 12.45408 19.80508 -0.009436 -0.003581 0.004917 N 1.4825 13.73821 19.797 -0.006678 -0.010437 0.00181 N 3.70625 15.02233 19.80061 -0.005936 0.00957 0.002634 N 5.93 0.89696 19.77601 -0.01015 -0.008393 -0.004719 N 8.15375 2.18108 19.79795 -0.004645 0.003474 0.000281 N 5.93 3.46521 19.75213 0.033286 0.011093 -0.00886 N 8.15375 4.74933 19.80026 -0.005708 -0.004835 0.001516 N 5.93 6.03346 19.79394 -0.014766 -0.015351 -0.001207 N 8.15375 7.31758 19.7984 0.00277 0.011258 -0.000227 N 5.93 8.60171 19.79915 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-0.000403 C 2.76112 13.20606 24.84401 0.003464 0.015055 2.6e-05 C 1.69123 8.66694 23.88502 -0.001154 -0.021665 0.000344 C 2.40445 14.09209 26.01839 0.008881 0.007265 0.000599 C 0.57574 13.89964 24.46853 0.007557 0.01756 -7.8e-05 C 0.9427 14.29784 25.80915 -0.00682 -0.003159 0.00113 C 0.57565 7.97359 24.46797 0.014393 -0.018298 6e-05 C 7.62966 10.93651 29.44682 -0.003071 -0.001533 0.00044 C 3.54588 12.10102 25.00048 0.014725 -0.007187 0.000493 168 energy=-1497.81620266 config_type=nep2xyz pbc="T T T" virial="-19.1485376494682 0.004063663321142668 0.03528970778887054 0.004063663321142668 -27.36124399690091 0.010223321407927345 0.03528970778887054 0.010223321407927345 -4.031325116187049" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.80186 -0.001266 0.001303 0.001425 B 2.965 0.89696 19.794 0.00904 0.00518 8.7e-05 B 0.74125 4.74933 19.80173 -2.4e-05 -0.001714 0.001277 B 2.965 3.46521 19.77832 -0.006576 0.00097 -0.004485 B 0.74125 7.31758 19.80039 -0.000193 0.017776 0.00189 B 2.965 6.03346 19.79382 0.008092 -0.005272 -7.1e-05 B 0.74125 9.88583 19.77114 -0.005234 0.010286 -0.004278 B 2.965 8.60171 19.79877 -0.006481 0.015843 0.001883 B 0.74125 12.45408 19.77093 -0.004339 -0.010946 -0.00432 B 2.965 11.16996 19.78721 -0.02233 0.000888 -0.000573 B 0.74125 15.02233 19.80028 -8.1e-05 -0.01759 0.001856 B 2.965 13.73821 19.79851 -0.007779 -0.016687 0.001867 B 5.18875 2.18108 19.76251 0.01179 -0.024495 -0.007249 B 7.4125 0.89696 19.79672 -0.003574 -0.00358 -0.000652 B 5.18875 4.74933 19.76228 0.012854 0.023753 -0.007361 B 7.4125 3.46521 19.77541 -0.000113 0.000817 -0.004128 B 5.18875 7.31758 19.79881 0.010992 -0.004701 0.001009 B 7.4125 6.03346 19.79645 -0.004835 0.002846 -0.000681 B 5.18875 9.88583 19.80179 -0.002671 0.007363 0.002507 B 7.4125 8.60171 19.79235 0.014828 0.023056 -5.6e-05 B 5.18875 12.45408 19.80166 -0.001588 -0.007802 0.002338 B 7.4125 11.16996 19.77539 0.016782 0.000975 -0.003352 B 5.18875 15.02233 19.7989 0.010896 0.004611 0.00089 B 7.4125 13.73821 19.79215 0.014106 -0.0232 -0.000198 N 1.4825 0.89696 19.80442 0.007842 0.005555 0.003116 N 3.70625 2.18108 19.77004 -0.005898 0.004495 -0.005721 N 1.4825 3.46521 19.79748 0.018064 -0.000178 0.000212 N 3.70625 4.74933 19.76967 -0.004916 -0.003538 -0.005848 N 1.4825 6.03346 19.80435 0.00684 -0.005194 0.002697 N 3.70625 7.31758 19.80217 -0.006994 -0.010986 0.0023 N 1.4825 8.60171 19.78942 -0.001919 -0.00807 -0.000218 N 3.70625 9.88583 19.79848 -0.003068 -0.008207 0.002116 N 1.4825 11.16996 19.76033 0.031453 -0.001628 -0.005217 N 3.70625 12.45408 19.79823 -0.001627 0.009377 0.001963 N 1.4825 13.73821 19.78906 -0.002656 0.008815 -0.00022 N 3.70625 15.02233 19.80218 -0.007059 0.010032 0.0023 N 5.93 0.89696 19.78519 -0.014706 0.014629 -0.003027 N 8.15375 2.18108 19.79523 -0.014184 0.014899 -0.000664 N 5.93 3.46521 19.73952 0.024534 -0.000935 -0.009229 N 8.15375 4.74933 19.79492 -0.013264 -0.014275 -0.000768 N 5.93 6.03346 19.78491 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0.000107 C 8.17872 4.88032 25.19789 0.006823 -0.018269 0.000552 C 6.68745 4.88446 23.3737 0.034329 0.023807 0.000341 C 3.04591 5.95489 27.32219 -0.002843 -0.003481 5.6e-05 C 2.22859 4.88027 27.46172 0.009974 0.001301 0.000566 C 6.68749 2.05849 23.37366 0.033079 -0.022891 0.00031 C 3.97006 6.01521 28.44075 -0.011378 -0.006913 0.000657 C 1.53695 4.26019 26.31511 -0.005424 0.001836 0.000481 C 5.61063 2.74876 22.8027 -0.044137 0.061785 -4e-05 C 7.78241 4.16102 23.98903 0.038256 -0.012928 0.000445 C 7.0913 6.627 26.64145 0.006694 0.00569 -1.4e-05 C 5.62953 6.83281 26.8506 -0.007506 -0.003778 0.003221 C 2.95948 5.74091 24.84457 -0.016799 0.000733 0.000268 C 4.02937 1.20179 23.88609 -0.004875 -0.049775 0.000501 C 3.31615 6.62694 26.01855 -0.007241 0.007238 0.001186 C 5.14486 6.43449 24.46849 1.2e-05 0.025201 0.001196 C 4.7779 6.83269 25.80916 0.009984 -0.006358 -0.002328 C 5.14495 0.50844 24.46845 -0.002471 -0.026226 0.001888 C 6.98594 3.47136 29.44677 0.002912 -0.000831 0.000585 C 2.17472 4.63587 25.00133 -0.010363 0.012185 0.000556 C 3.00066 8.9067 24.84345 -0.001292 -0.016824 0.000439 C 3.78549 10.01168 25.00012 0.015896 0.012338 -8.5e-05 C 8.7019 10.01105 29.61023 0.005511 -0.007998 0.000252 C 3.53698 11.17617 24.2005 0.015948 -0.001357 0.000485 C 1.1635 10.45336 29.8688 0.020159 -0.00324 0.000231 C 4.42325 10.3873 26.31429 0.003053 0.001667 0.000243 C 3.3353 11.86565 28.67101 -0.000267 -0.000885 0.000206 C 2.91415 8.69267 27.32149 -0.000676 0.006629 0.000619 C 8.47713 8.90639 28.77445 0.00897 -0.002114 0.000248 C 1.99005 8.63227 28.44014 0.013722 0.006269 5.4e-05 C 8.70193 12.34114 29.61027 0.005148 0.010284 0.00024 C 3.73158 9.76719 27.46098 -0.012525 0.001702 4.2e-05 C 2.24031 9.76312 29.28813 0.002669 0.002698 0.00019 C 7.49369 8.69268 25.33803 -0.003892 -0.005548 0.000583 C 6.67645 9.76732 25.198 0.002189 0.005115 -2.9e-05 C 2.24033 12.58905 29.28815 0.003032 -0.001726 0.000177 C 8.41787 8.63237 24.21987 -0.025414 -0.010884 -1.9e-05 C 5.98482 10.38736 26.34443 -0.007725 -0.002993 0.000371 C 1.16352 11.89882 29.86882 0.020067 0.000221 0.000224 C 3.3353 10.48651 28.671 -0.000424 0.000752 0.000182 C 2.64394 8.02066 26.01796 0.007663 -0.007478 -0.000435 C 1.18218 7.81491 25.80866 -0.007664 0.003319 0.001712 C 7.40727 8.90664 27.81567 0.003179 -0.00182 0.000352 C 8.4772 13.44588 28.77456 0.009441 0.001315 0.000255 C 7.7638 8.02059 26.64132 -0.005731 -0.008294 0.000298 C 0.69766 8.21298 28.1911 -0.002168 0.005313 0.000663 C 0.33056 7.81477 26.85022 0.009369 0.004338 -0.001259 C 0.69774 14.13926 28.1912 -0.002518 -0.004217 0.000886 C 2.53892 11.1762 23.21142 0.01749 -0.000621 -1.3e-05 C 6.62264 10.01172 27.65847 -0.007446 0.001233 0.00019 C 2.95954 1.20195 24.84451 -0.016023 -0.001909 0.00011 C 2.17471 2.30693 25.00131 -0.01095 -0.010629 0.000636 C 6.1533 2.3063 29.61038 -0.006326 -0.00704 0.000729 C 2.42322 3.47142 24.20197 -0.019896 -0.001567 0.000268 C 4.7967 2.74861 29.86932 -0.01756 0.000119 0.000548 C 1.53695 2.68255 26.3151 -0.005836 0.001034 0.000327 C 2.6249 4.1609 28.67158 0.000549 -0.00102 0.000529 C 3.04605 0.98792 27.32214 -0.003073 0.003662 -0.000266 C 6.37807 1.20164 28.77463 -0.007737 -0.001414 0.000495 C 3.97015 0.92752 28.44074 -0.012486 0.00663 0.000823 C 6.15327 4.63639 29.61034 -0.006068 0.008672 0.000641 C 2.22862 2.06244 27.46169 0.010504 5.6e-05 0.000757 C 3.71989 2.05837 29.28866 -0.001325 -0.001051 0.000563 C 7.36151 0.98793 25.33783 -0.011699 -0.017246 0.000987 C 8.17875 2.06257 25.19785 0.008059 0.019358 0.000412 C 3.71987 4.8843 29.28863 -0.002097 0.001413 0.000553 C 6.43733 0.92762 24.22011 0.020588 -0.034131 0.000225 C 8.87038 2.68261 26.3445 0.006126 -0.003818 0.000685 C 4.79668 4.19407 29.8693 -0.016942 -0.002415 0.000616 C 2.6249 2.78176 28.6716 -0.000537 0.002088 0.000462 C 3.31626 0.31591 26.0185 -0.008022 -0.006852 0.001888 C 4.77802 0.11016 25.80913 0.008643 0.006253 -0.005167 C 7.44793 1.20189 27.81575 -0.002403 -0.000618 0.000684 C 6.378 5.74113 28.77468 -0.007326 -8.1e-05 0.00057 C 7.09141 0.31584 26.6414 0.00664 -0.005858 -0.000612 C 5.26254 0.50823 28.19138 0.002278 0.005838 -0.000899 C 5.62964 0.11002 26.8505 -0.006653 0.003185 0.006077 C 5.26246 6.43451 28.19142 0.00126 -0.004769 -0.000132 C 3.42128 3.47145 23.21464 -0.007061 -0.001279 0.00039 C 8.23256 2.30697 27.65845 0.004123 0.000357 0.000482 C 7.40734 13.4457 27.81577 0.001643 6.1e-05 0.000294 C 6.62267 12.34063 27.65851 -0.006615 0.000669 0.000255 C 1.70622 12.34125 23.05137 -0.024114 -0.019246 0.00016 C 6.87123 11.17615 28.45755 -0.000379 -0.000597 0.00033 C 0.34959 11.89899 22.79902 0.011451 -0.051949 -4.6e-05 C 5.98483 11.96498 26.34446 -0.008096 0.003826 0.000349 C 7.07277 10.48666 23.98837 -0.022442 -0.013133 0.000247 C 7.49378 13.65965 25.33813 -0.004379 0.006015 0.000463 C 1.93091 13.44589 23.88517 0.000946 0.020153 -9.4e-05 C 8.41794 13.72004 24.21995 -0.024802 0.009874 1.5e-05 C 1.70616 10.01119 23.05138 -0.024136 0.019786 0.000157 C 6.67648 12.58507 25.19807 0.001612 -0.004656 -1.6e-05 C 8.16775 12.58921 23.37409 -0.011126 0.004007 0.000176 C 2.91429 13.65964 27.3216 0.000654 -0.007711 0.00079 C 3.73161 12.58502 27.46104 -0.013497 0.000282 -5e-05 C 8.16771 9.76324 23.37406 -0.010945 -0.002221 0.00017 C 1.99014 13.71996 28.44023 0.014239 -0.006036 -1.2e-05 C 4.42325 11.96494 26.31432 0.003223 0.000545 0.00034 C 0.34957 10.45351 22.79904 0.011204 0.049945 -4.2e-05 C 7.07279 11.86577 23.98839 -0.021698 0.01379 0.000307 C 7.7639 14.33175 26.6414 -0.006392 0.007664 0.000531 C 0.33067 14.53756 26.85034 0.009222 -0.004445 -0.002061 C 3.00072 13.44566 24.84354 -0.0016 0.015751 0.000509 C 1.93083 8.90654 23.88512 0.000737 -0.021218 -6.3e-05 C 2.64405 14.33169 26.01805 0.008523 0.007198 -0.000725 C 0.81534 14.13924 24.46811 0.011271 0.017369 -0.000201 C 1.1823 14.53744 25.80877 -0.008139 -0.004134 0.002498 C 0.81525 8.21319 24.46803 0.010872 -0.017901 -1.8e-05 C 7.86926 11.17611 29.44679 -0.003229 -0.00134 0.00027 C 3.78548 12.34062 25.00017 0.017023 -0.012098 -0.000137 168 energy=-1497.81702417 config_type=nep2xyz pbc="T T T" virial="-19.104992288826903 0.012575968593852047 0.0173240383690819 0.012575968593852047 -27.298663581755314 0.0032509306569141346 0.0173240383690819 0.0032509306569141346 -4.071747872381573" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.80133 -0.004691 0.000344 0.001738 B 2.965 0.89696 19.79615 0.008014 0.005911 0.000703 B 0.74125 4.74933 19.80159 -0.001555 -0.000911 0.001609 B 2.965 3.46521 19.78253 -0.005428 0.002871 -0.003606 B 0.74125 7.31758 19.80262 -0.004287 0.012249 0.002847 B 2.965 6.03346 19.79494 0.007452 -0.004608 0.000348 B 0.74125 9.88583 19.77359 -0.011518 0.00541 -0.004195 B 2.965 8.60171 19.79919 -0.003271 0.015461 0.001803 B 0.74125 12.45408 19.76829 -0.009039 -0.004265 -0.005611 B 2.965 11.16996 19.78094 -0.018708 -0.000159 -0.002278 B 0.74125 15.02233 19.79786 0.000727 -0.019313 0.001537 B 2.965 13.73821 19.79344 -0.006392 -0.014331 0.0004 B 5.18875 2.18108 19.76674 0.007901 -0.01738 -0.006479 B 7.4125 0.89696 19.7979 0.003285 -0.000784 2e-06 B 5.18875 4.74933 19.76039 0.007794 0.025806 -0.008069 B 7.4125 3.46521 19.77279 0.010914 -0.002298 -0.004739 B 5.18875 7.31758 19.7966 0.011236 -0.0069 0.00066 B 7.4125 6.03346 19.79325 -0.002555 0.003927 -0.001227 B 5.18875 9.88583 19.8013 -0.000954 0.007477 0.002473 B 7.4125 8.60171 19.79547 0.016808 0.021356 0.000881 B 5.18875 12.45408 19.8002 -0.004478 -0.00861 0.001982 B 7.4125 11.16996 19.78101 0.019071 0.002181 -0.002647 B 5.18875 15.02233 19.8014 0.007452 -0.001393 0.001769 B 7.4125 13.73821 19.7945 0.016546 -0.020481 0.00035 N 1.4825 0.89696 19.80399 0.005599 0.002884 0.003269 N 3.70625 2.18108 19.77661 -0.002177 -0.001809 -0.004689 N 1.4825 3.46521 19.79903 0.017625 0.000539 0.000928 N 3.70625 4.74933 19.77221 0.000687 -0.007433 -0.005934 N 1.4825 6.03346 19.80531 0.007595 -0.005862 0.003749 N 3.70625 7.31758 19.80176 -0.00454 -0.010393 0.002336 N 1.4825 8.60171 19.79362 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-0.002715 0.00081 0.000528 C 4.26468 12.81982 25.0007 0.009346 0.004711 0.000358 168 energy=-1497.81602525 config_type=nep2xyz pbc="T T T" virial="-19.06747826006225 0.0032937060602945835 -0.02493806017080185 0.0032937060602945835 -27.318981898361027 0.009025610113274768 -0.02493806017080185 0.009025610113274768 -4.029186346018026" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.80029 -0.015515 0.002993 0.002565 B 2.965 0.89696 19.79918 0.002048 0.004325 0.001566 B 0.74125 4.74933 19.80021 -0.009638 -0.002646 0.001871 B 2.965 3.46521 19.79118 -0.002904 0.005455 -0.001222 B 0.74125 7.31758 19.80433 -0.012589 -0.003551 0.003721 B 2.965 6.03346 19.79624 0.002473 -0.008384 0.000875 B 0.74125 9.88583 19.77773 -0.013254 0.002339 -0.003661 B 2.965 8.60171 19.79808 0.0003 0.00813 0.000743 B 0.74125 12.45408 19.76432 -0.018988 0.010758 -0.008056 B 2.965 11.16996 19.76971 0.002421 -0.00489 -0.006324 B 0.74125 15.02233 19.79152 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0.000239 C 8.4826 8.73939 26.64111 -0.004106 -0.004083 0.001192 C 1.41646 8.93178 28.19114 -0.001504 0.005678 0.001773 C 1.04936 8.53357 26.85044 0.007517 0.001061 -0.004791 C 1.41654 14.85806 28.19113 -0.001272 -0.002664 -0.001529 C 3.25772 11.895 23.21441 -0.023799 0.00088 0.000176 C 7.34144 10.73052 27.658 -0.003676 0.000247 0.000289 C 3.67834 1.92075 24.84392 -0.00489 -0.019973 0.000484 C 2.89351 3.02573 25.00079 -0.013001 0.004928 0.000293 C 6.8721 3.0251 29.61014 -0.004328 -0.007204 0.000412 C 3.14202 4.19022 24.20174 -0.032572 -0.007481 8.9e-05 C 5.5155 3.46741 29.86912 -0.016945 -0.001902 0.000448 C 2.25575 3.40135 26.31473 -0.00523 -0.00064 0.000556 C 3.3437 4.8797 28.67148 -0.000538 -0.000731 0.000206 C 3.76485 1.70672 27.32181 -0.000718 0.004892 0.001168 C 7.09687 1.92044 28.77439 -0.006498 -0.000721 0.000419 C 4.68895 1.64632 28.44049 -0.015012 0.006023 5.5e-05 C 6.87207 5.35519 29.61026 -0.00451 0.008064 0.000613 C 2.94742 2.78124 27.46138 0.009986 0.000964 -1.4e-05 C 4.43869 2.77717 29.28842 0.000117 -0.000871 0.000329 C 8.08031 1.70673 25.33748 -0.006857 -0.011749 0.000591 C 0.00255 2.78137 25.19724 0.004556 0.015066 0.000135 C 4.43867 5.6031 29.28857 -0.002586 -1.4e-05 0.000516 C 7.15613 1.64642 24.21982 0.004913 -0.029994 0.000244 C 0.69418 3.40141 26.34404 0.003505 -0.003654 0.00078 C 5.51548 4.91287 29.86918 -0.016467 -0.002769 0.000454 C 3.3437 3.50056 28.67137 -0.000246 0.000324 0.000535 C 4.03506 1.03471 26.01827 -0.007838 -0.007719 -0.00115 C 5.49682 0.82896 25.80884 0.00975 0.005978 0.005528 C 8.16673 1.92069 27.81545 -0.0034 -0.00061 0.000494 C 7.0968 6.45993 28.7746 -0.005584 -0.000218 0.000403 C 7.81021 1.03464 26.64109 0.003938 -0.004949 0.001156 C 5.98134 1.22703 28.19115 0.002604 0.006168 0.001832 C 6.34844 0.82882 26.85042 -0.008274 0.000907 -0.004786 C 5.98126 7.15331 28.19147 0.002597 -0.002481 -0.000528 C 4.14008 4.19025 23.21402 0.013665 -0.003143 0.000299 C 0.05636 3.02577 27.65813 0.00407 -0.000126 0.00033 C 8.12614 14.1645 27.8154 0.00216 -0.0008 0.000643 C 7.34147 13.05943 27.65797 -0.003689 0.000286 0.000326 C 2.42502 13.06005 23.05291 -0.020726 -0.041428 -6.4e-05 C 7.59003 11.89495 28.45707 0.000239 -0.000117 0.000595 C 1.06839 12.61779 22.79999 0.034054 -0.051124 -7.4e-05 C 6.70363 12.68378 26.34394 -0.003904 0.004724 0.000291 C 7.79157 11.20546 23.98781 -0.035461 0.006763 0.000362 C 8.21258 14.37845 25.33755 0.004618 0.014582 0.000787 C 2.64971 14.16469 23.88567 0.004563 0.030273 0.000442 C 0.24174 14.43884 24.2198 -0.019708 0.013048 0.000126 C 2.42496 10.72999 23.05328 -0.003972 0.016443 0.000131 C 7.39528 13.30387 25.19718 -0.00018 -0.015513 0.000433 C 8.88655 13.30801 23.37302 -0.030534 0.020457 8.2e-05 C 3.63309 14.37844 27.32192 0.001043 -0.004789 -0.00099 C 4.45041 13.30382 27.46149 -0.009981 0.001851 0.000898 C 8.88651 10.48204 23.37278 -0.039285 -0.020065 0.000284 C 2.70894 14.43876 28.44041 0.011083 -0.006898 0.000769 C 5.14205 12.68374 26.31485 0.005635 0.002033 -0.000118 C 1.06837 11.17231 22.80176 0.034314 0.068338 -0.00027 C 7.79159 12.58457 23.98766 -0.042493 0.00644 0.000295 C 8.4827 15.05055 26.64106 -0.008902 0.008853 -0.001084 C 1.04947 15.25636 26.85019 0.003643 -0.006528 0.007907 C 3.71952 14.16446 24.84427 0.019437 0.005385 -0.000207 C 2.64963 9.62534 23.88595 0.010729 -0.021337 3.7e-05 C 3.36285 15.05049 26.01831 0.007169 0.007454 0.002453 C 1.53414 14.85804 24.46811 0.00443 0.023768 0.002221 C 1.9011 15.25624 25.8089 -0.006787 -0.005522 -0.007501 C 1.53405 8.93199 24.46844 -0.013887 -0.029131 -0.000958 C 8.58806 11.89491 29.44637 -0.003657 0.00022 0.000426 C 4.50428 13.05942 25.00114 0.003484 0.015685 0.000556 168 energy=-1497.8151968 config_type=nep2xyz pbc="T T T" virial="-19.106018898508033 -0.0010693850845112285 -0.02754735977700925 -0.0010693850845112285 -27.392042287334835 0.013132048837797885 -0.02754735977700925 0.013132048837797885 -4.021059019375741" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.80022 -0.018613 0.005286 0.00243 B 2.965 0.89696 19.79955 6.6e-05 0.000513 0.001472 B 0.74125 4.74933 19.798 -0.0163 -0.002326 0.001336 B 2.965 3.46521 19.79439 -0.003175 0.007465 -0.000112 B 0.74125 7.31758 19.80352 -0.014905 -0.00772 0.00309 B 2.965 6.03346 19.79656 -0.000853 -0.010287 0.000732 B 0.74125 9.88583 19.78048 -0.008067 0.007148 -0.002969 B 2.965 8.60171 19.79772 0.000318 0.005202 0.000381 B 0.74125 12.45408 19.76296 -0.017441 0.009114 -0.008518 B 2.965 11.16996 19.76782 0.010212 -0.004579 -0.007184 B 0.74125 15.02233 19.78824 -0.000914 -0.014054 -0.001247 B 2.965 13.73821 19.77604 0.005698 0.002958 -0.005531 B 5.18875 2.18108 19.78274 -0.000546 0.005274 -0.002966 B 7.4125 0.89696 19.79873 0.020034 0.015365 0.001973 B 5.18875 4.74933 19.75958 -0.004924 0.000423 -0.008735 B 7.4125 3.46521 19.77282 0.025882 -0.002331 -0.006209 B 5.18875 7.31758 19.78853 0.006539 -0.009961 -0.00152 B 7.4125 6.03346 19.78004 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0.002786 -0.001429 -0.001197 C 4.61928 4.66945 23.21398 -0.003127 -0.002414 0.000203 C 0.53556 3.50497 27.6581 0.002245 -0.000236 0.000515 C 8.60534 14.6437 27.81561 0.001927 -0.00101 0.000154 C 7.82067 13.53863 27.65816 -0.003047 0.000361 0.001001 C 2.90422 13.53925 23.05261 0.001923 -0.014856 0.000131 C 8.06923 12.37415 28.45723 -0.00023 -0.000577 0.000324 C 1.54759 13.09699 22.79936 0.033025 -0.052321 -0.000156 C 7.18283 13.16298 26.34411 -0.004038 0.004051 -0.000445 C 8.27077 11.68466 23.98759 -0.025644 -0.013536 0.000531 C 8.69178 14.85765 25.33773 0.005146 0.0127 -0.000983 C 3.12891 14.64389 23.88597 -0.002352 0.013115 0.000342 C 0.72094 14.91804 24.21998 -0.016055 0.006039 0.000916 C 2.90416 11.20919 23.0524 0.008331 0.01309 0.000158 C 7.87448 13.78307 25.19732 -3.8e-05 -0.016348 0.001386 C 0.47075 13.78721 23.37298 -0.049841 0.018548 0.000208 C 4.11229 14.85764 27.32215 -3.4e-05 -0.005178 0.000515 C 4.92961 13.78302 27.46169 -0.009914 0.001531 -6.6e-05 C 0.47071 10.96124 23.37274 -0.054015 -0.021883 0.000267 C 3.18814 14.91796 28.44067 0.012711 -0.005738 0.000515 C 5.62125 13.16294 26.31503 0.007065 0.000716 0.001217 C 1.54757 11.65151 22.79938 0.031821 0.0577 -0.000185 C 8.27079 13.06377 23.98765 -0.027767 0.015319 0.000141 C 0.0669 0.12025 26.64123 -0.006391 0.007163 0.002005 C 1.52867 0.32606 26.85057 0.006954 -0.002598 -0.003953 C 4.19872 14.64366 24.84449 0.015888 0.008593 0.000208 C 3.12883 10.10454 23.88585 -0.002128 -0.013514 0.000376 C 3.84205 0.12019 26.01859 0.007584 0.007136 -0.000161 C 2.01334 15.33724 24.46846 0.003165 0.026042 -0.001018 C 2.3803 0.32594 25.80903 -0.009288 -0.004689 0.004995 C 2.01325 9.41119 24.46837 0.001412 -0.027338 -0.001327 C 0.17226 12.37411 29.44653 -0.003607 -0.001137 0.000602 C 4.98348 13.53862 25.00135 0.004814 0.011542 0.000208 168 energy=-1497.81325108 config_type=nep2xyz pbc="T T T" virial="-19.18883207945258 0.017281262965701455 -0.03695794852070806 0.017281262965701455 -27.466642590830336 0.005646353246219286 -0.03695794852070806 0.005646353246219286 -3.962200064324243" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.80069 -0.014491 0.006533 0.001096 B 2.965 0.89696 19.79786 0.001036 -0.008614 0.000758 B 0.74125 4.74933 19.78965 -0.024597 0.00016 -0.001315 B 2.965 3.46521 19.79933 -0.001787 0.010956 0.001145 B 0.74125 7.31758 19.79847 -0.017624 -0.004782 0.00072 B 2.965 6.03346 19.79883 -0.003038 -0.008703 0.000945 B 0.74125 9.88583 19.78737 0.002713 0.015705 -0.001576 B 2.965 8.60171 19.79996 0.000258 0.005247 0.001845 B 0.74125 12.45408 19.76393 -0.003382 -0.004837 -0.007124 B 2.965 11.16996 19.77239 0.005694 0.002512 -0.005859 B 0.74125 15.02233 19.78399 0.001431 -0.012662 -0.002381 B 2.965 13.73821 19.7674 0.010847 -0.003014 -0.006848 B 5.18875 2.18108 19.78974 0.005781 0.011023 -0.001052 B 7.4125 0.89696 19.79986 0.018466 0.011671 0.001768 B 5.18875 4.74933 19.7667 -0.005878 0.003547 -0.007324 B 7.4125 3.46521 19.77151 0.023106 -0.000582 -0.006602 B 5.18875 7.31758 19.78823 0.003785 -0.007692 -0.001389 B 7.4125 6.03346 19.76821 0.024457 0.006237 -0.007472 B 5.18875 9.88583 19.80285 -0.005806 0.004741 0.003651 B 7.4125 8.60171 19.79802 0.020297 -0.019698 0.001451 B 5.18875 12.45408 19.79677 -0.007978 0.000455 0.0013 B 7.4125 11.16996 19.80315 0.009073 -0.000532 0.00293 B 5.18875 15.02233 19.80059 -0.006067 -0.006051 0.002553 B 7.4125 13.73821 19.80191 0.0069 -0.000419 0.0025 N 1.4825 0.89696 19.7998 0.003498 -0.013223 0.000748 N 3.70625 2.18108 19.80083 0.008727 -0.000187 0.001579 N 1.4825 3.46521 19.80161 0.001894 -0.000573 0.001967 N 3.70625 4.74933 19.7885 0.013698 -0.000506 -0.001778 N 1.4825 6.03346 19.80063 0.003385 0.000677 0.001435 N 3.70625 7.31758 19.80037 0.01146 -0.001916 0.001804 N 1.4825 8.60171 19.80068 0.00225 0.008178 0.001565 N 3.70625 9.88583 19.79313 -0.00687 0.01034 0.000303 N 1.4825 11.16996 19.75751 -0.011223 -0.01473 -0.007647 N 3.70625 12.45408 19.77117 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0.000262 C 7.04821 5.63184 22.80081 -0.03592 -0.073172 0.000119 C 1.41297 5.69783 26.34424 0.004162 0.004929 0.000488 C 0.32503 4.21951 23.9879 0.033082 -0.013995 0.000594 C 8.79902 7.3925 25.33794 -0.008567 0.01274 0.000356 C 5.46689 7.17874 23.88638 -0.018831 0.026416 -0.000594 C 7.87486 7.45289 24.22046 0.01012 0.036896 0.000332 C 5.69164 3.74404 23.05402 0.037307 0.041642 0.000568 C 0.72132 6.31792 25.19752 0.007006 -0.014585 0.000631 C 8.12505 6.32206 23.37356 0.027856 0.004471 0.000581 C 4.48351 7.39249 27.32224 -0.00132 -0.00451 0.002593 C 3.66619 6.31787 27.46177 0.00913 0.001212 -0.000413 C 8.12509 3.49609 23.37345 0.033377 -0.013055 0.000563 C 5.40766 7.45281 28.44081 -0.013369 -0.006713 -0.000216 C 2.97455 5.69779 26.31508 -0.00463 0.001703 0.001456 C 7.04823 4.18636 22.80098 -0.042116 0.075025 7.9e-05 C 0.32501 5.59862 23.98795 0.032075 0.014726 0.000592 C 8.5289 8.0646 26.6415 0.005802 0.005177 0.001838 C 7.06713 8.27041 26.85091 -0.005375 -0.004249 -0.005716 C 4.39708 7.17851 24.84466 -0.013319 0.0108 0.001945 C 5.46697 2.63939 23.88604 -0.016623 -0.036081 -0.000612 C 4.75375 8.06454 26.01879 -0.009742 0.009459 -0.002312 C 6.58246 7.87209 24.46899 0.021704 0.016859 -0.000564 C 6.2155 8.27029 25.80936 0.008511 -0.002552 0.006896 C 6.58255 1.94604 24.46866 0.013241 -0.017871 -0.000757 C 8.42354 4.90896 29.44664 0.0033 -0.000565 0.000966 C 3.61232 6.07347 25.00133 -0.010646 0.001475 -0.001006 C 4.43826 10.3443 24.84434 0.013014 -0.009551 -0.000386 C 5.22309 11.44928 25.00108 0.006235 -0.008701 0.001176 C 1.2445 11.44865 29.61034 0.003666 -0.007196 0.000437 C 4.97458 12.61377 24.20149 0.013245 0.001813 -0.000638 C 2.6011 11.89096 29.8692 0.016472 -0.001418 0.00042 C 5.86085 11.8249 26.31489 0.005381 0.00154 -0.000774 C 4.7729 13.30325 28.67139 0.000106 0.000228 0.000361 C 4.35175 10.13027 27.32205 0.000955 0.00507 -0.000447 C 1.01973 10.34399 28.77459 0.006256 -0.001749 0.000387 C 3.42765 10.06987 28.44064 0.013341 0.005663 0.00063 C 1.24453 13.77874 29.61025 0.005118 0.009765 0.000505 C 5.16918 11.20479 27.46155 -0.011366 0.001123 0.001114 C 3.67791 11.20072 29.28862 0.001815 0.00052 0.000336 C 0.03629 10.13028 25.3379 0.001129 -0.010161 0.000911 C 8.11405 11.20492 25.19766 0.001853 0.013072 -0.000411 C 3.67793 14.02665 29.28845 0.00102 0.000235 0.000389 C 0.96047 10.06997 24.22005 -0.021075 -0.005985 0.000111 C 7.42242 11.82496 26.34429 -0.005281 -0.002858 0.001495 C 2.60112 13.33642 29.86912 0.017725 -0.00045 0.000347 C 4.7729 11.92411 28.67153 0.000563 -0.000905 0.000176 C 4.08154 9.45826 26.01849 0.006242 -0.008285 0.001186 C 2.61978 9.25251 25.80904 -0.007981 0.003492 0.002197 C 8.84487 10.34424 27.81569 0.003221 -0.001653 0.000688 C 1.0198 14.88348 28.77454 0.006913 -0.000117 0.00036 C 0.3064 9.45819 26.64136 -0.006755 -0.00805 0.000213 C 2.13526 9.65058 28.19139 -0.001619 0.005566 0.000973 C 1.76816 9.25237 26.85054 0.007105 0.003203 -0.001604 C 2.13534 0.16736 28.19131 -0.002474 -0.003547 -0.000994 C 3.97652 12.6138 23.21389 0.000861 -0.00153 0.000476 C 8.06024 11.44932 27.65836 -0.005328 0.000882 -7.7e-05 C 4.39714 2.63955 24.84438 -0.012797 -0.009696 0.001904 C 3.61231 3.74453 25.00124 -0.011166 -0.001647 -0.000982 C 7.5909 3.7439 29.61026 -0.005054 -0.00671 0.000501 C 3.86082 4.90902 24.20209 -0.024659 0.00051 0.00234 C 6.2343 4.18621 29.86913 -0.017003 -0.001471 0.000609 C 2.97455 4.12015 26.31502 -0.005559 0.000812 0.00126 C 4.0625 5.5985 28.67157 -0.001039 -0.000959 0.000748 C 4.48365 2.42552 27.32204 -0.00233 0.005205 0.00257 C 7.81567 2.63924 28.77452 -0.006194 -0.000793 0.000791 C 5.40775 2.36512 28.44065 -0.011781 0.006611 -0.000275 C 7.59087 6.07399 29.61038 -0.004799 0.007651 0.000581 C 3.66622 3.50004 27.46165 0.008888 -0.00036 -0.000342 C 5.15749 3.49597 29.28859 -0.001145 0.00045 0.000502 C 8.79911 2.42553 25.33775 -0.010204 -0.012052 0.00045 C 0.72135 3.50017 25.1974 0.006903 0.01696 0.000429 C 5.15747 6.3219 29.28865 -0.003925 -1.3e-05 0.000594 C 7.87493 2.36522 24.22023 0.013496 -0.03123 0.000235 C 1.41298 4.12021 26.34418 0.004375 -0.003282 0.000538 C 6.23428 5.63167 29.86918 -0.017071 -0.000936 0.000672 C 4.0625 4.21936 28.67155 -0.001112 0.000713 0.000678 C 4.75386 1.75351 26.01854 -0.009919 -0.008458 -0.002607 C 6.21562 1.54776 25.80906 0.008756 0.002176 0.007503 C 8.88553 2.63949 27.81562 -0.002276 -0.000766 0.000249 C 7.8156 7.17873 28.77475 -0.004751 -0.000597 0.000845 C 8.52901 1.75344 26.64128 0.006361 -0.005949 0.001828 C 6.70014 1.94583 28.19137 0.001425 0.004515 0.002493 C 7.06724 1.54762 26.85062 -0.00726 0.003127 -0.006622 C 6.70006 7.87211 28.19162 0.001308 -0.002454 0.002344 C 4.85888 4.90905 23.21385 -0.012456 0.003046 -0.00039 C 0.77516 3.74457 27.65821 0.002443 0.000211 0.001046 C 8.84494 14.8833 27.81564 0.001905 -0.00035 0.000534 C 8.06027 13.77823 27.65833 -0.004719 -3.1e-05 0.000509 C 3.14382 13.77885 23.05165 0.006903 -0.008002 -0.000105 C 8.30883 12.61375 28.45741 2.7e-05 0.000469 0.000675 C 1.78719 13.33659 22.79893 0.024835 -0.063368 -0.000113 C 7.42243 13.40258 26.34427 -0.005362 0.004208 -0.000343 C 8.51037 11.92426 23.98804 -0.02419 -0.017028 0.000545 C 0.03638 15.09725 25.33778 0.003735 0.01107 0.000333 C 3.36851 14.88349 23.8856 -0.004309 0.013222 0.000686 C 0.96054 15.15764 24.21989 -0.018476 0.003558 0.000404 C 3.14376 11.44879 23.05217 -0.00527 0.012009 7.1e-05 C 8.11408 14.02267 25.19758 0.000856 -0.013294 0.000877 C 0.71035 14.02681 23.37313 -0.049969 0.020488 7.5e-05 C 4.35189 15.09724 27.32198 0.000861 -0.005933 -0.000805 C 5.16921 14.02262 27.46148 -0.011554 0.00069 0.000415 C 0.71031 11.20084 23.37357 -0.039987 -0.009408 0.000243 C 3.42774 15.15756 28.44055 0.012912 -0.005016 0.000693 C 5.86085 13.40254 26.31482 0.005655 0.002139 0.000484 C 1.78717 11.89111 22.79919 0.02603 0.045328 -0.000106 C 8.51039 13.30337 23.98795 -0.017493 0.015344 0.00015 C 0.3065 0.35985 26.64128 -0.006291 0.006369 -0.000556 C 1.76827 0.56566 26.8504 0.005647 -0.002191 0.005576 C 4.43832 14.88326 24.84408 0.006117 0.011047 -0.000556 C 3.36843 10.34414 23.88578 -0.005521 -0.014586 0.000537 C 4.08165 0.35979 26.01835 0.007406 0.006556 0.002419 C 2.25294 0.16734 24.46827 0.009163 0.025572 0.001383 C 2.6199 0.56554 25.809 -0.006913 -0.005847 -0.005036 C 2.25285 9.65079 24.46839 0.009417 -0.023373 -0.000188 C 0.41186 12.61371 29.44669 -0.003597 -0.000441 0.000418 C 5.22308 13.77822 25.00095 0.009966 0.00242 0.000825 168 energy=-1497.81287059 config_type=nep2xyz pbc="T T T" virial="-19.197515486338816 0.023526471859247024 -0.009025610113274768 0.023526471859247024 -27.454066622236486 0.0099238935842642 -0.009025610113274768 0.0099238935842642 -3.947228673141086" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.80075 -0.009122 0.004443 0.000655 B 2.965 0.89696 19.79563 0.001755 -0.011385 -3.9e-05 B 0.74125 4.74933 19.78516 -0.021922 -0.001436 -0.002435 B 2.965 3.46521 19.80121 0.000201 0.011106 0.001881 B 0.74125 7.31758 19.79484 -0.017155 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0.000397 C 5.63667 6.8011 29.28868 -0.003836 -3.8e-05 0.000414 C 8.35413 2.84442 24.21969 0.023492 -0.014186 0.000344 C 1.89218 4.59941 26.34439 0.005908 -0.002982 0.000685 C 6.71348 6.11087 29.86924 -0.016406 -0.003086 0.000574 C 4.5417 4.69856 28.67134 0.000324 -0.000662 0.000343 C 5.23306 2.23271 26.01807 -0.007504 -0.005938 0.001721 C 6.69482 2.02696 25.80877 0.008301 0.006338 -0.006021 C 0.46973 3.11869 27.81554 -0.004019 -0.001551 0.000784 C 8.2948 7.65793 28.77486 -0.007302 0.000627 0.000937 C 0.11321 2.23264 26.64116 0.005637 -0.006309 -0.00077 C 7.17934 2.42503 28.19113 0.001428 0.005596 -0.001088 C 7.54644 2.02682 26.85016 -0.006912 0.002677 0.006863 C 7.17926 8.35131 28.19163 0.001405 -0.003651 0.00246 C 5.33808 5.38825 23.21352 -0.012939 0.009658 0.000287 C 1.25436 4.22377 27.65838 0.005155 0.000627 0.000443 C 0.42914 15.3625 27.81565 0.002344 0.000457 0.000468 C 8.53947 14.25743 27.65842 -0.005308 -8.8e-05 0.000612 C 3.62302 14.25805 23.05158 -0.013345 -0.026183 7.5e-05 C 8.78803 13.09295 28.45762 -0.000695 0.00224 0.000768 C 2.26639 13.81579 22.79998 0.030004 -0.09185 -1.1e-05 C 7.90163 13.88178 26.34441 -0.006373 0.004617 0.000215 C 0.09457 12.40346 23.98892 -0.032638 -0.006122 0.000506 C 0.51558 0.16695 25.33779 0.00673 0.011086 -0.000326 C 3.84771 15.36269 23.88531 0.00341 0.032787 0.000663 C 1.43974 0.22734 24.21984 -0.022953 0.013524 0.00084 C 3.62296 11.92799 23.05366 -0.037259 0.019097 0.000174 C 8.59328 14.50187 25.19776 -0.002549 -0.011425 0.001028 C 1.18955 14.50601 23.37339 -0.043622 0.028241 0.000252 C 4.83109 0.16694 27.32178 0.000938 -0.005607 0.000337 C 5.64841 14.50182 27.46138 -0.011996 0.001046 0.000293 C 1.18951 11.68004 23.37481 -0.015227 0.006151 0.000317 C 3.90694 0.22726 28.44037 0.010473 -0.006463 0.000407 C 6.34005 13.88174 26.31474 0.003661 0.00244 0.000539 C 2.26637 12.37031 22.80209 0.032224 0.053625 6.3e-05 C 0.09459 13.78257 23.98838 -0.02086 0.010084 0.000302 C 0.7857 0.83905 26.64123 -0.007088 0.006379 0.001128 C 2.24747 1.04486 26.85033 0.008013 -0.003107 -0.000173 C 4.91752 15.36246 24.84372 0.000501 0.009245 -8.2e-05 C 3.84763 10.82334 23.88619 0.007376 -0.027198 0.00091 C 4.56085 0.83899 26.0181 0.007738 0.00568 0.000359 C 2.73214 0.64654 24.46818 0.007012 0.018476 -6.4e-05 C 3.0991 1.04474 25.80882 -0.008569 -0.006078 0.001031 C 2.73205 10.12999 24.46886 -0.001825 -0.018426 -0.000326 C 0.89106 13.09291 29.44686 -0.002818 0.001155 0.000581 C 5.70228 14.25742 25.00066 0.015826 -0.004652 0.000741 168 energy=-1497.81342149 config_type=nep2xyz pbc="T T T" virial="-19.1677865809894 0.024296429120095112 -0.010137770601166447 0.024296429120095112 -27.41073513861209 0.011036054072155877 -0.010137770601166447 0.011036054072155877 -3.953944411471816" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.80015 0.002625 -0.002396 0.000854 B 2.965 0.89696 19.78915 -0.003686 -0.012239 -0.001497 B 0.74125 4.74933 19.78059 -0.005539 -0.00766 -0.00331 B 2.965 3.46521 19.80381 -0.001476 0.00686 0.00383 B 0.74125 7.31758 19.78781 -0.009128 0.007862 -0.002 B 2.965 6.03346 19.80454 0.003222 -0.002257 0.003866 B 0.74125 9.88583 19.7962 0.008318 0.015606 0.000378 B 2.965 8.60171 19.80462 -0.003551 -0.000602 0.004444 B 0.74125 12.45408 19.77966 0.013508 0.003375 -0.004801 B 2.965 11.16996 19.77948 -0.014921 0.003759 -0.003965 B 0.74125 15.02233 19.78701 0.012586 -0.013498 -0.002838 B 2.965 13.73821 19.75826 -0.012377 -0.003726 -0.009835 B 5.18875 2.18108 19.79773 0.007352 0.007643 0.001174 B 7.4125 0.89696 19.80265 0.011545 -0.006761 0.0022 B 5.18875 4.74933 19.78621 0.003606 0.011382 -0.002285 B 7.4125 3.46521 19.77518 0.010476 0.004756 -0.004985 B 5.18875 7.31758 19.79292 0.008321 -0.006817 0.0005 B 7.4125 6.03346 19.75652 -0.00211 0.016142 -0.009719 B 5.18875 9.88583 19.80196 0.001016 0.004451 0.003217 B 7.4125 8.60171 19.78779 0.014047 -0.01685 -0.001294 B 5.18875 12.45408 19.78503 -0.004663 0.002062 -0.002498 B 7.4125 11.16996 19.80276 0.010634 0.006815 0.002588 B 5.18875 15.02233 19.78749 -0.002069 -0.006916 -0.001882 B 7.4125 13.73821 19.79927 -0.002168 -0.004424 0.001235 N 1.4825 0.89696 19.79564 0.007202 -0.002051 -0.000628 N 3.70625 2.18108 19.80241 -4.6e-05 -0.009603 0.00312 N 1.4825 3.46521 19.79856 -0.012982 0.014731 0.001637 N 3.70625 4.74933 19.80223 0.012042 0.0002 0.003878 N 1.4825 6.03346 19.79602 -0.018305 -0.005884 -0.000543 N 3.70625 7.31758 19.80575 0.009719 -0.003794 0.005855 N 1.4825 8.60171 19.80045 -0.007012 -0.014198 0.002501 N 3.70625 9.88583 19.8001 -0.00447 0.016219 0.00261 N 1.4825 11.16996 19.78106 0.009177 -0.008301 -0.004012 N 3.70625 12.45408 19.75949 0.017623 0.015408 -0.008707 N 1.4825 13.73821 19.7595 -0.032144 0.0005 -0.0089 N 3.70625 15.02233 19.76761 0.00841 0.01197 -0.006816 N 5.93 0.89696 19.80079 -0.012709 -0.003522 0.00212 N 8.15375 2.18108 19.79763 -0.012592 0.022767 8.5e-05 N 5.93 3.46521 19.78391 0.003763 -0.009274 -0.002995 N 8.15375 4.74933 19.74815 0.011614 -0.024871 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23.05103 0.000508 0.009697 0.000152 C 1.44012 7.03672 25.19805 -0.000648 -0.01121 0.000296 C 8.84385 7.04086 23.37399 0.030633 0.002197 0.000363 C 5.20231 8.11129 27.32213 -0.001548 -0.006038 0.001278 C 4.38499 7.03667 27.46158 0.011754 0.001301 1.9e-05 C 8.84389 4.21489 23.3731 0.049045 -0.027929 0.00019 C 6.12646 8.17161 28.44069 -0.013953 -0.005946 0.000135 C 3.69335 6.41659 26.3149 -0.005699 0.000973 0.000661 C 7.76703 4.90516 22.79962 -0.03138 0.064381 -0.000211 C 1.04381 6.31742 23.98864 0.027439 0.008555 0.000514 C 0.3527 8.7834 26.64153 0.00614 0.007209 0.001903 C 7.78593 8.98921 26.85072 -0.009745 -0.002957 -0.006993 C 5.11588 7.89731 24.84456 -0.01716 0.006492 0.000681 C 6.18577 3.35819 23.88531 0.004549 -0.021747 0.000122 C 5.47255 8.78334 26.01864 -0.008302 0.007994 -0.001205 C 7.30126 8.59089 24.46856 -0.008258 0.022249 -0.001387 C 6.9343 8.98909 25.80909 0.008545 -0.002463 0.008055 C 7.30135 2.66484 24.46793 -0.012565 -0.025436 -0.00105 C 0.24734 5.62776 29.44669 0.002068 -0.001126 0.000539 C 4.33112 6.79227 25.00112 -0.005825 0.012004 1.9e-05 C 5.15706 11.0631 24.8446 0.010499 -0.013852 0.000555 C 5.94189 12.16808 25.00107 0.012501 0.002357 0.00048 C 1.9633 12.16745 29.61048 0.004699 -0.005737 0.000832 C 5.69338 13.33257 24.2017 0.022111 -0.001118 0.000426 C 3.3199 12.60976 29.86922 0.017281 -5e-06 0.000727 C 6.57965 12.5437 26.31494 0.003717 0.001317 0.000515 C 5.4917 14.02205 28.67137 -0.000588 -0.000839 0.000628 C 5.07055 10.84907 27.3222 0.001748 0.00458 0.00093 C 1.73853 11.06279 28.77481 0.006818 -0.002087 0.000738 C 4.14645 10.78867 28.44082 0.012469 0.006674 0.000409 C 1.96333 14.49754 29.61015 0.005474 0.009017 0.000803 C 5.88798 11.92359 27.46161 -0.010138 0.000441 0.000418 C 4.39671 11.91952 29.28869 0.003889 0.000635 0.000649 C 0.75509 10.84908 25.3382 0.005262 -0.010895 0.000794 C 8.83285 11.92372 25.19791 -0.007846 0.012587 0.000633 C 4.39673 14.74545 29.28839 0.000955 0.000231 0.000642 C 1.67927 10.78877 24.22067 -0.01338 -0.042238 0.000546 C 8.14122 12.54376 26.34444 -0.007002 -0.003179 0.000698 C 3.31992 14.05522 29.86902 0.017523 0.000659 0.00055 C 5.4917 12.64291 28.67152 0.000291 0.001717 0.000602 C 4.80034 10.17706 26.01875 0.009812 -0.009307 0.000363 C 3.33858 9.97131 25.80943 -0.005508 0.001952 0.001322 C 0.66867 11.06304 27.81593 0.001163 -0.001066 0.000822 C 1.7386 0.19278 28.77446 0.006874 -0.00019 0.000168 C 1.0252 10.17699 26.64166 -0.006333 -0.005256 0.000593 C 2.85406 10.36938 28.19166 -0.0021 0.003933 0.000945 C 2.48696 9.97117 26.85086 0.005343 0.002902 -4.5e-05 C 2.85414 0.88616 28.19127 -0.002708 -0.00289 -0.001439 C 4.69532 13.3326 23.21327 0.016026 -0.000874 0.000368 C 8.77904 12.16812 27.65847 -0.004497 -0.000929 0.000594 C 5.11594 3.35835 24.84372 -0.003115 -0.011958 0.000168 C 4.33111 4.46333 25.00074 -0.012414 -0.000143 0.000292 C 8.3097 4.4627 29.61013 -0.005577 -0.009078 0.00032 C 4.57962 5.62782 24.20139 -0.016447 -0.004734 0.000467 C 6.9531 4.90501 29.86904 -0.017513 -0.001484 0.000377 C 3.69335 4.83895 26.31473 -0.005835 7e-06 -3.8e-05 C 4.7813 6.3173 28.67145 7e-06 -7.9e-05 0.000461 C 5.20245 3.14432 27.32174 0.000478 0.005421 -0.000214 C 8.53447 3.35804 28.77433 -0.008171 -0.001218 0.000575 C 6.12655 3.08392 28.44035 -0.013796 0.005531 0.000579 C 8.30967 6.79279 29.61038 -0.004729 0.009284 0.000427 C 4.38502 4.21884 27.46133 0.010602 0.000513 0.000916 C 5.87629 4.21477 29.28838 2.2e-05 -0.000631 0.000241 C 0.62291 3.14433 25.33756 -0.007723 -0.011607 -0.000886 C 1.44015 4.21897 25.1976 0.001481 0.013744 0.000826 C 5.87627 7.0407 29.28856 -0.004411 0.000104 0.000347 C 8.59373 3.08402 24.21951 0.021738 -0.008048 0.000675 C 2.13178 4.83901 26.3443 0.005614 -0.002533 0.000148 C 6.95308 6.35047 29.86915 -0.017006 -0.001502 0.000485 C 4.7813 4.93816 28.67133 -0.000133 -0.000426 9.2e-05 C 5.47266 2.47231 26.01808 -0.005549 -0.006152 -0.000145 C 6.93442 2.26656 25.80857 0.011471 0.006036 0.005164 C 0.70933 3.35829 27.81547 -0.004054 -0.001739 0.0 C 8.5344 7.89753 28.7747 -0.006757 0.000164 0.000646 C 0.35281 2.47224 26.64107 0.004605 -0.005774 0.002207 C 7.41894 2.66463 28.19101 0.001785 0.006499 0.001428 C 7.78604 2.26642 26.85021 -0.010556 0.000916 -0.004721 C 7.41886 8.59091 28.19147 0.001036 -0.004034 0.002352 C 5.57768 5.62785 23.21374 -0.001982 0.006343 8.9e-05 C 1.49396 4.46337 27.6583 0.005078 0.000896 0.000646 C 0.66874 0.1926 27.81559 0.002354 -0.00021 0.001191 C 8.77907 14.49703 27.65828 -0.004002 0.000792 0.000286 C 3.86262 14.49765 23.05285 -0.027208 -0.039797 5.3e-05 C 0.13263 13.33255 28.45743 -0.000228 0.001657 0.001038 C 2.50599 14.05539 22.80096 0.041598 -0.09582 8.2e-05 C 8.14123 14.12138 26.34424 -0.005545 0.00536 0.000887 C 0.33417 12.64306 23.98858 -0.036413 -0.004267 0.000568 C 0.75518 0.40655 25.33769 0.008468 0.012963 0.002098 C 4.08731 0.19279 23.88565 0.011588 0.037928 0.000417 C 1.67934 0.46694 24.22 -0.018251 0.022267 -0.00018 C 3.86256 12.16759 23.05449 -0.038845 0.027605 0.000293 C 8.83288 14.74147 25.19754 -0.004712 -0.013731 4.9e-05 C 1.42915 14.74561 23.37323 -0.043249 0.028443 0.000356 C 5.07069 0.40654 27.32189 0.001863 -0.00521 0.000419 C 5.88801 14.74142 27.46148 -0.009896 0.001576 0.000106 C 1.42911 11.91964 23.37425 -0.024028 -0.001795 0.000514 C 4.14654 0.46686 28.44047 0.010473 -0.007253 0.000314 C 6.57965 14.12134 26.31483 0.004413 0.002772 0.000754 C 2.50597 12.60991 22.80305 0.042655 0.071663 6.1e-05 C 0.33419 14.02217 23.98812 -0.030883 0.0096 0.000648 C 1.0253 1.07865 26.64123 -0.006794 0.006105 -0.002041 C 2.48707 1.28446 26.85033 0.003259 -0.005408 0.009133 C 5.15712 0.19256 24.84401 0.006639 0.008721 0.000254 C 4.08723 11.06294 23.88638 0.016727 -0.03182 0.000417 C 4.80045 1.07859 26.01825 0.008334 0.006874 0.001721 C 2.97174 0.88614 24.46835 -0.003406 0.019065 0.002611 C 3.3387 1.28434 25.80905 -0.005365 -0.006057 -0.00813 C 2.97165 10.36959 24.46899 -0.014204 -0.018694 0.00043 C 1.13066 13.33251 29.44671 -0.003061 0.000704 0.000602 C 5.94188 14.49702 25.0009 0.013705 -0.001034 0.00041 168 energy=-1497.81435576 config_type=nep2xyz pbc="T T T" virial="-19.129673696577424 0.004106438724523117 0.00645908591044782 0.004106438724523117 -27.406286496660524 -8.555080676089829e-05 0.00645908591044782 -8.555080676089829e-05 -3.9822617285096733" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.79977 0.008287 -0.004881 0.001315 B 2.965 0.89696 19.78582 -0.008032 -0.011762 -0.001998 B 0.74125 4.74933 19.78082 0.00309 -0.008609 -0.003376 B 2.965 3.46521 19.80446 -0.005782 0.00467 0.004218 B 0.74125 7.31758 19.78419 -0.000487 0.008629 -0.002721 B 2.965 6.03346 19.80524 0.002537 -0.001095 0.004202 B 0.74125 9.88583 19.79848 0.009925 0.010495 0.001205 B 2.965 8.60171 19.80496 -0.006065 -0.00294 0.004523 B 0.74125 12.45408 19.78731 0.015435 0.009292 -0.002375 B 2.965 11.16996 19.78165 -0.013655 0.007472 -0.002951 B 0.74125 15.02233 19.79011 0.015127 -0.012209 -0.001662 B 2.965 13.73821 19.75835 -0.023137 -0.000846 -0.009641 B 5.18875 2.18108 19.79914 0.003967 0.001528 0.001394 B 7.4125 0.89696 19.80297 0.0105 -0.00933 0.002409 B 5.18875 4.74933 19.79028 0.004154 0.007056 -0.000851 B 7.4125 3.46521 19.77883 0.00751 0.006389 -0.003794 B 5.18875 7.31758 19.79273 0.006111 -0.005169 5e-05 B 7.4125 6.03346 19.75407 -0.006077 0.00671 -0.009762 B 5.18875 9.88583 19.80045 0.002236 0.003259 0.001927 B 7.4125 8.60171 19.78387 0.009843 -0.011055 -0.002623 B 5.18875 12.45408 19.78069 0.000421 0.000798 -0.003935 B 7.4125 11.16996 19.80275 0.009844 0.009098 0.002443 B 5.18875 15.02233 19.78228 0.001323 -0.003082 -0.003627 B 7.4125 13.73821 19.79886 -0.004021 -0.002195 0.001378 N 1.4825 0.89696 19.79404 0.009751 0.002804 -0.000488 N 3.70625 2.18108 19.8019 0.000101 -0.012139 0.002786 N 1.4825 3.46521 19.79811 -0.012802 0.017163 0.001967 N 3.70625 4.74933 19.80469 0.012842 0.002094 0.005205 N 1.4825 6.03346 19.79489 -0.023742 -0.003828 -0.000852 N 3.70625 7.31758 19.80602 0.010895 -0.003528 0.005504 N 1.4825 8.60171 19.79943 -0.009882 -0.016689 0.002381 N 3.70625 9.88583 19.80096 -0.001686 0.016871 0.002483 N 1.4825 11.16996 19.78853 0.011698 -0.007826 -0.001749 N 3.70625 12.45408 19.75666 0.016968 -0.002324 -0.00849 N 1.4825 13.73821 19.76812 -0.025526 -0.000916 -0.007125 N 3.70625 15.02233 19.76075 0.009607 0.01296 -0.008047 N 5.93 0.89696 19.79903 -0.014923 -0.006924 0.001253 N 8.15375 2.18108 19.79939 -0.011535 0.021788 0.000962 N 5.93 3.46521 19.78971 0.006858 -0.000444 -0.001488 N 8.15375 4.74933 19.74992 -0.001482 -0.020214 -0.009371 N 5.93 6.03346 19.77259 0.022174 -0.004439 -0.006003 N 8.15375 7.31758 19.75645 -0.00636 0.01467 -0.008448 N 5.93 8.60171 19.7946 0.005355 -0.005553 0.00012 N 8.15375 9.88583 19.80048 -0.00977 -0.014445 0.001558 N 5.93 11.16996 19.79857 -0.016745 0.007366 0.001171 N 8.15375 12.45408 19.80094 0.000257 -0.000141 0.002199 N 5.93 13.73821 19.78641 -0.002298 0.002502 -0.002594 N 8.15375 15.02233 19.80207 -0.00049 0.001943 0.002832 C 0.94886 8.13695 27.81571 -0.001956 0.000326 0.000642 C 1.73353 7.03188 27.65831 0.003613 0.000643 0.000268 C 6.64998 7.0325 23.05274 0.007103 -0.015264 6.6e-05 C 1.48497 5.8674 28.45732 -1.5e-05 -0.00104 0.000737 C 8.00661 6.59024 22.79917 -0.035786 -0.03829 -0.000157 C 2.37137 6.65623 26.34426 0.005494 0.004999 0.000231 C 1.28343 5.17791 23.98788 0.02214 -0.007775 0.000358 C 0.86242 8.3509 25.33788 -0.002807 0.011595 0.00078 C 6.42529 8.13714 23.886 0.003571 0.010461 0.000339 C 8.83326 8.41129 24.22 0.018722 0.007015 6.4e-05 C 6.65004 4.70244 23.05174 -0.005034 0.009738 -7.8e-05 C 1.67972 7.27632 25.19763 -0.002559 -0.013696 0.000233 C 0.18845 7.28046 23.3733 0.042358 0.01351 0.000219 C 5.44191 8.35089 27.32217 -0.000291 -0.005202 -0.000166 C 4.62459 7.27627 27.46165 0.010583 0.000982 6.7e-05 C 0.18849 4.45449 23.37274 0.051271 -0.021859 0.000127 C 6.36606 8.41121 28.44072 -0.013005 -0.005851 0.000583 C 3.93295 6.65619 26.31494 -0.006655 0.000627 0.000881 C 8.00663 5.14476 22.79895 -0.031997 0.053577 -0.000236 C 1.28341 6.55702 23.98806 0.028036 0.010322 0.000317 C 0.5923 9.023 26.64135 0.006353 0.007067 0.000121 C 8.02553 9.22881 26.8506 -0.007189 -0.002964 -0.00099 C 5.35548 8.13691 24.84452 -0.016034 0.009325 -0.000145 C 6.42537 3.59779 23.88552 0.003092 -0.011335 0.000599 C 5.71215 9.02294 26.0186 -0.007586 0.007299 0.001034 C 7.54086 8.83049 24.46847 -0.006209 0.026006 -4e-06 C 7.1739 9.22869 25.8091 0.008297 -0.004082 0.001549 C 7.54095 2.90444 24.46805 -0.006017 -0.028111 0.000369 C 0.48694 5.86736 29.44659 0.002787 -0.001568 0.0004 C 4.57072 7.03187 25.0012 -0.005718 0.010356 0.000467 C 5.39666 11.3027 24.84453 0.013191 -0.015482 0.001708 C 6.18149 12.40768 25.00123 0.009813 0.001034 -0.001205 C 2.2029 12.40705 29.61027 0.004461 -0.006034 0.000763 C 5.93298 13.57217 24.20216 0.033516 -0.002305 0.001712 C 3.5595 12.84936 29.86916 0.015346 -0.000126 0.000628 C 6.81925 12.7833 26.31497 0.004953 0.000522 0.003331 C 5.7313 14.26165 28.67152 0.00018 -0.000807 0.000318 C 5.31015 11.08867 27.32211 0.00235 0.006328 0.00342 C 1.97813 11.30239 28.77456 0.005518 -0.001008 0.000624 C 4.38605 11.02827 28.44075 0.011907 0.006119 -0.000657 C 2.20293 14.73714 29.61021 0.004345 0.008251 0.000772 C 6.12758 12.16319 27.46169 -0.008959 -0.000592 -0.002101 C 4.63631 12.15912 29.28864 0.004028 -7.5e-05 0.000732 C 0.99469 11.08868 25.33777 0.008407 -0.0118 -0.000481 C 0.17745 12.16332 25.19733 -0.008192 0.016067 0.002488 C 4.63633 14.98505 29.28857 0.003663 0.000183 0.000674 C 1.91887 11.02837 24.22036 -0.006225 -0.039921 0.000832 C 8.38082 12.78336 26.34413 -0.005095 -0.003685 -0.002042 C 3.55952 14.29482 29.86911 0.01537 -0.000392 0.000595 C 5.7313 12.88251 28.67157 -0.000333 0.000984 0.001319 C 5.03994 10.41666 26.01868 0.009459 -0.009249 -0.001615 C 3.57818 10.21091 25.8093 -0.004452 0.002293 -0.000273 C 0.90827 11.30264 27.81563 0.001506 -0.000467 0.000231 C 1.9782 0.43238 28.77455 0.004699 -0.000541 0.000307 C 1.2648 10.41659 26.64133 -0.004546 -0.00502 0.001214 C 3.09366 10.60898 28.19147 -0.002471 0.003104 0.000673 C 2.72656 10.21077 26.85066 0.00362 0.002937 0.001463 C 3.09374 1.12576 28.19146 -0.002826 -0.001358 -0.000944 C 4.93492 13.5722 23.21401 -0.001841 -2e-06 -0.000114 C 0.12364 12.40772 27.65816 -0.003169 -0.000252 0.00176 C 5.35554 3.59795 24.84401 -0.00881 -0.012913 -0.000864 C 4.57071 4.70293 25.00096 -0.009726 -0.00351 0.001418 C 8.5493 4.7023 29.61011 -0.004801 -0.007594 0.000409 C 4.81922 5.86742 24.20166 -0.021657 -0.0038 -0.00051 C 7.1927 5.14461 29.86907 -0.016373 -0.001986 0.000346 C 3.93295 5.07855 26.31487 -0.006612 0.001209 -0.001812 C 5.0209 6.5569 28.67151 -5.3e-05 0.000741 0.000501 C 5.44205 3.38392 27.32189 -0.000993 0.004709 -0.002664 C 8.77407 3.59764 28.77431 -0.006465 -0.00131 0.000422 C 6.36615 3.32352 28.44044 -0.013229 0.005365 0.001553 C 8.54927 7.03239 29.61032 -0.004452 0.009445 0.000509 C 4.62462 4.45844 27.46146 0.01122 -1.5e-05 0.002501 C 6.11589 4.45437 29.28845 -0.001658 -0.000197 0.000196 C 0.86251 3.38393 25.33743 -0.005226 -0.011472 0.000333 C 1.67975 4.45857 25.19733 -0.000939 0.01479 -9.2e-05 C 6.11587 7.2803 29.28862 -0.003802 8.7e-05 0.000306 C 8.83333 3.32362 24.21949 0.015599 -0.006875 0.000204 C 2.37138 5.07861 26.34411 0.004555 -0.002912 0.001204 C 7.19268 6.59007 29.86919 -0.016349 -0.00211 0.000398 C 5.0209 5.17776 28.67145 -0.00095 -0.001312 -0.000313 C 5.71226 2.71191 26.01822 -0.006997 -0.007271 0.002731 C 7.17402 2.50616 25.80875 0.007921 0.006278 -0.001344 C 0.94893 3.59789 27.81539 -0.003387 -0.001107 0.000406 C 8.774 8.13713 28.77464 -0.005916 -0.000229 0.000397 C 0.59241 2.71184 26.64099 0.004252 -0.005737 0.000458 C 7.65854 2.90423 28.19109 0.002852 0.005079 -0.000332 C 8.02564 2.50602 26.85021 -0.006797 0.002036 0.001687 C 7.65846 8.83051 28.19143 0.001881 -0.003412 0.000791 C 5.81728 5.86745 23.21419 0.009468 0.002115 0.000351 C 1.73356 4.70297 27.65817 0.004546 -3.4e-05 -4e-06 C 0.90834 0.4322 27.8156 0.001843 -0.00082 0.001223 C 0.12367 14.73663 27.65813 -0.002529 0.000673 -6.4e-05 C 4.10222 14.73725 23.05416 -0.029058 -0.043771 0.000245 C 0.37223 13.57215 28.45723 0.000406 0.000781 0.000439 C 2.74559 14.29499 22.80159 0.049579 -0.090261 0.000113 C 8.38083 14.36098 26.34403 -0.004791 0.005786 0.002907 C 0.57377 12.88266 23.98791 -0.038045 -0.006195 -2.5e-05 C 0.99478 0.64615 25.33764 0.009486 0.013725 0.003121 C 4.32691 0.43239 23.88619 0.018076 0.034174 -6e-05 C 1.91894 0.70654 24.22022 -0.010888 0.028695 -0.000676 C 4.10216 12.40719 23.05471 -0.030064 0.036166 0.000361 C 0.17748 14.98107 25.19729 -0.005533 -0.015985 -0.001539 C 1.66875 14.98521 23.37298 -0.046055 0.02547 0.000439 C 5.31029 0.64614 27.32212 0.00114 -0.004322 0.001184 C 6.12761 14.98102 27.46167 -0.009545 0.001382 0.00085 C 1.66871 12.15924 23.3733 -0.040292 -0.014762 0.000432 C 4.38614 0.70646 28.44069 0.012671 -0.007331 9.8e-05 C 6.81925 14.36094 26.31502 0.005665 0.002122 -0.000505 C 2.74557 12.84951 22.80258 0.049213 0.083492 9.2e-05 C 0.57379 14.26177 23.98772 -0.038336 0.011534 0.001146 C 1.2649 1.31825 26.64127 -0.005687 0.005819 -0.002141 C 2.72667 1.52406 26.85057 0.001732 -0.004935 0.007624 C 5.39672 0.43216 24.84445 0.013207 0.010709 0.001104 C 4.32683 11.30254 23.88638 0.020544 -0.031131 -9.4e-05 C 5.04005 1.31819 26.01858 0.008702 0.007759 0.000226 C 3.21134 1.12574 24.46872 -0.016092 0.019986 0.002679 C 3.5783 1.52394 25.80931 -0.004062 -0.005119 -0.006484 C 3.21125 10.60919 24.46888 -0.022129 -0.021173 0.000954 C 1.37026 13.57211 29.44655 -0.003061 -0.00017 0.000774 C 6.18148 14.73662 25.00123 0.0117 0.00116 6.9e-05 168 energy=-1497.81551743 config_type=nep2xyz pbc="T T T" virial="-19.112820187645525 -0.0011121604878916776 -0.0018393423453593129 -0.0011121604878916776 -27.400383490994024 0.002823176623109643 -0.0018393423453593129 0.002823176623109643 -4.029143570614646" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.79952 0.01308 -0.005587 0.001825 B 2.965 0.89696 19.78274 -0.011115 -0.010631 -0.002705 B 0.74125 4.74933 19.78199 0.008809 -0.006453 -0.003198 B 2.965 3.46521 19.80473 -0.010396 0.004068 0.004365 B 0.74125 7.31758 19.78022 0.011125 0.007465 -0.003548 B 2.965 6.03346 19.8045 -0.001499 -1.3e-05 0.003751 B 0.74125 9.88583 19.79981 0.012675 0.002298 0.001847 B 2.965 8.60171 19.80417 -0.009016 -0.004068 0.004072 B 0.74125 12.45408 19.79422 0.016831 0.010381 -0.000181 B 2.965 11.16996 19.78459 -0.00876 0.013358 -0.001975 B 0.74125 15.02233 19.79305 0.016352 -0.008911 -0.000608 B 2.965 13.73821 19.76009 -0.027134 -0.001456 -0.009076 B 5.18875 2.18108 19.79953 0.00122 -0.004194 0.001348 B 7.4125 0.89696 19.80262 0.008297 -0.008987 0.002615 B 5.18875 4.74933 19.79295 0.003346 0.004368 -0.000106 B 7.4125 3.46521 19.78295 0.00627 0.007555 -0.002765 B 5.18875 7.31758 19.79195 0.001949 -0.004028 -0.000581 B 7.4125 6.03346 19.75332 -0.006703 -0.003616 -0.009642 B 5.18875 9.88583 19.79923 0.001527 0.001408 0.001126 B 7.4125 8.60171 19.78082 0.004879 -0.004938 -0.003494 B 5.18875 12.45408 19.77845 0.004262 -0.000167 -0.004338 B 7.4125 11.16996 19.80303 0.007211 0.009455 0.002731 B 5.18875 15.02233 19.77733 0.004038 0.002242 -0.004909 B 7.4125 13.73821 19.79868 -0.005455 0.000715 0.00175 N 1.4825 0.89696 19.7926 0.011186 0.005365 -0.000205 N 3.70625 2.18108 19.80108 0.000911 -0.015323 0.002373 N 1.4825 3.46521 19.79819 -0.011375 0.015908 0.002191 N 3.70625 4.74933 19.8058 0.013042 0.002842 0.005607 N 1.4825 6.03346 19.79259 -0.02302 0.002185 -0.001786 N 3.70625 7.31758 19.80509 0.0128 -0.003095 0.004937 N 1.4825 8.60171 19.79708 -0.010846 -0.014949 0.001972 N 3.70625 9.88583 19.80139 0.001569 0.01442 0.00254 N 1.4825 11.16996 19.79476 0.009808 -0.004135 0.000526 N 3.70625 12.45408 19.75705 0.008803 -0.018908 -0.008021 N 1.4825 13.73821 19.77697 -0.011371 0.002643 -0.005024 N 3.70625 15.02233 19.75474 0.010962 0.013899 -0.009123 N 5.93 0.89696 19.79632 -0.01532 -0.009133 0.000402 N 8.15375 2.18108 19.80075 -0.011268 0.017837 0.001806 N 5.93 3.46521 19.79423 0.007423 0.005356 -0.000275 N 8.15375 4.74933 19.75408 -0.008033 -0.011909 -0.008412 N 5.93 6.03346 19.77411 0.024717 0.002901 -0.005985 N 8.15375 7.31758 19.75099 -0.009452 0.011694 -0.008961 N 5.93 8.60171 19.79233 0.008544 -0.004282 -0.001083 N 8.15375 9.88583 19.80036 -0.011565 -0.019337 0.001455 N 5.93 11.16996 19.79708 -0.015311 0.010179 0.000601 N 8.15375 12.45408 19.80354 -0.002738 -0.001288 0.00364 N 5.93 13.73821 19.7823 -0.002861 -0.000617 -0.003636 N 8.15375 15.02233 19.80291 -0.003939 0.000127 0.003307 C 1.18846 8.37655 27.8155 -0.002374 -0.001141 0.000734 C 1.97313 7.27148 27.65804 0.002242 0.00139 4.6e-05 C 6.88958 7.2721 23.05285 -0.0005 -0.015006 -0.000203 C 1.72457 6.107 28.45711 -0.000629 0.000703 0.000548 C 8.24621 6.82984 22.79924 -0.035809 -0.056561 -0.000188 C 2.61097 6.89583 26.34395 0.003847 0.005437 0.00085 C 1.52303 5.41751 23.98749 0.031484 -0.011375 0.000169 C 1.10202 8.5905 25.33753 -0.005808 0.012304 0.001345 C 6.66489 8.37674 23.88596 -0.001242 0.008553 0.000557 C 0.17786 8.65089 24.21981 0.009489 0.011773 -0.000123 C 6.88964 4.94204 23.05307 0.004434 0.020818 5.1e-05 C 1.91932 7.51592 25.19715 0.000375 -0.015308 -0.00016 C 0.42805 7.52006 23.3726 0.050396 0.021894 2.4e-05 C 5.68151 8.59049 27.32211 -0.000738 -0.004417 -0.001936 C 4.86419 7.51587 27.46159 0.009549 0.001328 0.001262 C 0.42809 4.69409 23.37272 0.047717 -0.017837 0.000204 C 6.60566 8.65081 28.44063 -0.010898 -0.005557 0.00114 C 4.17255 6.89579 26.31492 -0.006203 0.001436 -0.000402 C 8.24623 5.38436 22.7993 -0.037595 0.049134 -0.000224 C 1.52301 6.79662 23.98748 0.028296 0.009843 0.000372 C 0.8319 9.2626 26.64117 0.005782 0.005491 -0.001782 C 8.26513 9.46841 26.85039 -0.003148 -0.003415 0.009214 C 5.59508 8.37651 24.84436 -0.012814 0.013316 -0.000698 C 6.66497 3.83739 23.88593 -0.001935 -0.011505 0.000232 C 5.95175 9.26254 26.01848 -0.007588 0.005825 0.003544 C 7.78046 9.07009 24.46838 0.004907 0.028147 0.002317 C 7.4135 9.46829 25.80911 0.005225 -0.006345 -0.008861 C 7.78055 3.14404 24.46837 0.003378 -0.027935 -0.000874 C 0.72654 6.10696 29.44643 0.003188 -0.001555 0.000373 C 4.81032 7.27147 25.00114 -0.007901 0.00447 0.000877 C 5.63626 11.5423 24.84448 0.015754 -0.013669 0.00133 C 6.42109 12.64728 25.00135 0.007851 -0.003908 -0.000383 C 2.4425 12.64665 29.61012 0.003497 -0.005887 0.000506 C 6.17258 13.81177 24.20239 0.039791 -0.000204 0.001431 C 3.7991 13.08896 29.86918 0.013837 -0.001514 0.000608 C 7.05885 13.0229 26.31506 0.005991 0.000415 0.00066 C 5.9709 14.50125 28.67161 0.001076 -0.001206 0.000858 C 5.54975 11.32827 27.32208 0.001364 0.005188 0.002203 C 2.21773 11.54199 28.77438 0.004619 -0.000944 0.000621 C 4.62565 11.26787 28.44067 0.013963 0.007302 -0.000264 C 2.44253 14.97674 29.61028 0.003742 0.008182 0.000615 C 6.36718 12.40279 27.4617 -0.008948 -0.000999 -0.000202 C 4.87591 12.39872 29.28864 0.002794 -0.000659 0.000537 C 1.23429 11.32828 25.33742 0.00906 -0.012517 0.000146 C 0.41705 12.40292 25.19693 -0.005435 0.017906 0.00036 C 4.87593 15.22465 29.28868 0.002659 0.000598 0.000649 C 2.15847 11.26797 24.22 -0.007669 -0.027165 0.000426 C 8.62042 13.02296 26.34384 -0.003424 -0.002869 0.0008 C 3.79912 14.53442 29.86925 0.014195 -0.002115 0.00054 C 5.9709 13.12211 28.67159 0.000221 8.9e-05 0.000602 C 5.27954 10.65626 26.01861 0.008008 -0.00904 -0.002028 C 3.81778 10.45051 25.80906 -0.006055 0.002991 0.003921 C 1.14787 11.54224 27.81541 0.002684 -0.000494 0.000386 C 2.2178 0.67198 28.77462 0.004205 -0.001063 0.000572 C 1.5044 10.65619 26.64107 -0.005984 -0.006247 0.001475 C 3.33326 10.84858 28.19131 -0.002765 0.004503 0.001417 C 2.96616 10.45037 26.85053 0.005694 0.003292 -0.002713 C 3.33334 1.36536 28.19154 -0.00278 -0.001846 0.00012 C 5.17452 13.8118 23.21463 -0.018155 -9.3e-05 -0.000129 C 0.36324 12.64732 27.65795 -0.001857 -0.000328 0.000778 C 5.59514 3.83755 24.8444 -0.016287 -0.013132 9e-06 C 4.81031 4.94253 25.00119 -0.004817 -0.007419 0.000467 C 8.7889 4.9419 29.61012 -0.004125 -0.006245 0.000317 C 5.05882 6.10702 24.20189 -0.029174 0.00014 -0.000288 C 7.4323 5.38421 29.86912 -0.015235 -0.00048 0.000396 C 4.17255 5.31815 26.31493 -0.006609 0.001233 0.000288 C 5.2605 6.7965 28.67147 -0.001046 -0.00053 8.4e-05 C 5.68165 3.62352 27.32204 -0.000751 0.005157 5e-06 C 0.11867 3.83724 28.77438 -0.005915 -0.001264 0.000533 C 6.60575 3.56312 28.4406 -0.013405 0.006158 0.000539 C 8.78887 7.27199 29.61016 -0.00467 0.008723 0.000533 C 4.86422 4.69804 27.46159 0.009506 -0.000334 0.000396 C 6.35549 4.69397 29.28857 -0.003826 -0.000122 0.000215 C 1.10211 3.62353 25.33752 -0.005395 -0.011072 -0.000217 C 1.91935 4.69817 25.19712 -0.00094 0.016069 0.000584 C 6.35547 7.5199 29.28851 -0.002597 0.000727 0.000365 C 0.17793 3.56322 24.21979 0.012154 -0.011688 0.000404 C 2.61098 5.31821 26.34393 0.00389 -0.002366 0.000114 C 7.43228 6.82967 29.86911 -0.015672 -0.001709 0.000316 C 5.2605 5.41736 28.6715 -0.000372 -0.000122 0.000355 C 5.95186 2.95151 26.01851 -0.006863 -0.00866 0.000161 C 7.41362 2.74576 25.80891 0.00757 0.003923 0.004512 C 1.18853 3.83749 27.81544 -0.002783 -0.000916 0.000238 C 0.1186 8.37673 28.77447 -0.005875 -0.000617 0.0002 C 0.83201 2.95144 26.64109 0.006236 -0.007086 0.001257 C 7.89814 3.14383 28.19123 0.00172 0.005506 0.001311 C 8.26524 2.74562 26.85044 -0.00761 0.001919 -0.003975 C 7.89806 9.07011 28.19131 0.002425 -0.002767 -0.00199 C 6.05688 6.10705 23.21444 0.016962 -1e-06 0.000249 C 1.97316 4.94257 27.65802 0.002754 -8.1e-05 0.000422 C 1.14794 0.6718 27.81562 0.001576 -0.001559 0.000314 C 0.36327 14.97623 27.65803 -0.000925 0.002028 0.001184 C 4.34182 14.97685 23.05462 -0.020054 -0.03567 0.000221 C 0.61183 13.81175 28.45708 0.000479 5.3e-05 0.00018 C 2.98519 14.53459 22.80166 0.049032 -0.080728 2.1e-05 C 8.62043 14.60058 26.34395 -0.00328 0.00626 -0.000577 C 0.81337 13.12226 23.98729 -0.038831 -0.011938 0.000705 C 1.23438 0.88575 25.33764 0.009296 0.013528 0.000111 C 4.56651 0.67199 23.88646 0.017978 0.024794 -6e-05 C 2.15854 0.94614 24.22025 -0.004239 0.031507 0.000539 C 4.34176 12.64679 23.05427 -0.019956 0.041611 0.000302 C 0.41708 15.22067 25.19707 -0.00699 -0.01701 0.001296 C 1.90835 15.22481 23.37272 -0.048361 0.022437 0.000299 C 5.54989 0.88574 27.32225 0.00118 -0.004855 0.002251 C 6.36721 15.22062 27.46179 -0.008299 0.001824 -0.001047 C 1.90831 12.39884 23.37256 -0.049393 -0.023899 0.000404 C 4.62574 0.94606 28.44084 0.011349 -0.006055 -0.000313 C 7.05885 14.60054 26.31508 0.005606 0.001989 0.001988 C 2.98517 13.08911 22.80118 0.048148 0.0789 7e-06 C 0.81339 14.50137 23.98742 -0.038062 0.009728 0.000265 C 1.5045 1.55785 26.6413 -0.005426 0.004616 0.000379 C 2.96627 1.76366 26.85073 0.002697 -0.003684 0.002666 C 5.63632 0.67176 24.84466 0.014577 0.014462 0.001217 C 4.56643 11.54214 23.88619 0.017829 -0.02813 -0.000148 C 5.27965 1.55779 26.01877 0.008975 0.00679 -0.000688 C 3.45094 1.36534 24.46889 -0.023473 0.022835 0.001112 C 3.8179 1.76354 25.80937 -0.005023 -0.004075 -0.001667 C 3.45085 10.84879 24.46863 -0.018697 -0.023122 -0.000218 C 1.60986 13.81171 29.44642 -0.003648 -0.001835 0.000767 C 6.42108 14.97622 25.00139 0.009163 0.002007 -0.000711 168 energy=-1497.81599242 config_type=nep2xyz pbc="T T T" virial="-19.090961956518115 -0.0030798290433923384 -0.02634964848235667 -0.0030798290433923384 -27.364409376751066 0.005731904052980185 -0.02634964848235667 0.005731904052980185 -4.0285874903706995" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.79964 0.016377 -0.004728 0.002155 B 2.965 0.89696 19.78011 -0.011889 -0.007482 -0.002971 B 0.74125 4.74933 19.78299 0.011461 -0.001924 -0.003455 B 2.965 3.46521 19.80459 -0.013158 0.004778 0.004059 B 0.74125 7.31758 19.77572 0.021407 0.00599 -0.004832 B 2.965 6.03346 19.80199 -0.008117 0.001201 0.002791 B 0.74125 9.88583 19.79968 0.015511 -0.007605 0.001957 B 2.965 8.60171 19.80215 -0.01287 -0.004264 0.003151 B 0.74125 12.45408 19.79912 0.017136 0.007652 0.001684 B 2.965 11.16996 19.78799 -0.003006 0.017037 -0.0011 B 0.74125 15.02233 19.795 0.016192 -0.004408 0.000218 B 2.965 13.73821 19.76222 -0.024533 -0.006699 -0.008377 B 5.18875 2.18108 19.79889 -0.000347 -0.00739 0.000939 B 7.4125 0.89696 19.80154 0.005014 -0.00692 0.002385 B 5.18875 4.74933 19.79504 0.002435 0.005707 0.000583 B 7.4125 3.46521 19.78709 0.007091 0.01004 -0.001853 B 5.18875 7.31758 19.79183 -0.001762 -0.004234 -0.000831 B 7.4125 6.03346 19.75565 -0.005466 -0.008322 -0.009109 B 5.18875 9.88583 19.79896 0.000378 -0.001491 0.001119 B 7.4125 8.60171 19.77961 0.000967 -0.001888 -0.003699 B 5.18875 12.45408 19.77844 0.004619 -0.000817 -0.004516 B 7.4125 11.16996 19.80352 0.003579 0.006984 0.003314 B 5.18875 15.02233 19.7722 0.005173 0.00606 -0.006069 B 7.4125 13.73821 19.79829 -0.005825 0.002955 0.001934 N 1.4825 0.89696 19.7917 0.01158 0.004634 -1.3e-05 N 3.70625 2.18108 19.79998 0.002144 -0.019355 0.001742 N 1.4825 3.46521 19.7986 -0.010089 0.012485 0.002176 N 3.70625 4.74933 19.80575 0.011464 0.001636 0.005481 N 1.4825 6.03346 19.78784 -0.014324 0.010152 -0.002999 N 3.70625 7.31758 19.80331 0.014196 -0.001943 0.003921 N 1.4825 8.60171 19.79287 -0.009491 -0.010552 0.000591 N 3.70625 9.88583 19.80166 0.003508 0.010762 0.002588 N 1.4825 11.16996 19.79898 0.00586 0.00083 0.002 N 3.70625 12.45408 19.76061 0.000426 -0.024859 -0.007581 N 1.4825 13.73821 19.78379 0.003461 0.008093 -0.003418 N 3.70625 15.02233 19.74949 0.014138 0.014443 -0.009342 N 5.93 0.89696 19.79253 -0.013219 -0.010324 -0.00085 N 8.15375 2.18108 19.80179 -0.011089 0.011942 0.002415 N 5.93 3.46521 19.79755 0.006078 0.005557 0.000637 N 8.15375 4.74933 19.75998 -0.007954 -0.008314 -0.00783 N 5.93 6.03346 19.77655 0.019423 0.004917 -0.005181 N 8.15375 7.31758 19.74839 -0.018495 0.00394 -0.009378 N 5.93 8.60171 19.79155 0.009987 -0.001976 -0.001261 N 8.15375 9.88583 19.80015 -0.010999 -0.020433 0.001502 N 5.93 11.16996 19.79702 -0.012379 0.012509 0.000776 N 8.15375 12.45408 19.80548 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-0.000156 C 4.0387 13.32856 29.86916 0.014113 -0.00075 0.000475 C 7.29845 13.2625 26.31513 0.006689 0.001185 -0.001967 C 6.2105 14.74085 28.67159 0.000307 0.000123 0.000896 C 5.78935 11.56787 27.32208 0.001731 0.004612 -0.001078 C 2.45733 11.78159 28.77432 0.004148 -0.000986 0.0003 C 4.86525 11.50747 28.44062 0.012436 0.006574 0.00099 C 2.68213 15.21634 29.61024 0.003819 0.008453 0.000588 C 6.60678 12.64239 27.4617 -0.009397 -0.001284 0.002128 C 5.11551 12.63832 29.28861 0.001397 -0.000492 0.000419 C 1.47389 11.56788 25.33737 0.006174 -0.013037 0.002202 C 0.65665 12.64252 25.19699 -0.001665 0.017988 -0.001522 C 5.11553 0.05475 29.28865 0.002074 0.001452 0.000491 C 2.39807 11.50757 24.21983 -0.01181 -0.015728 -0.000316 C 8.86002 13.26256 26.34387 -0.002479 -0.003777 0.002931 C 4.03872 14.77402 29.86924 0.0148 -0.001602 0.000483 C 6.2105 13.36171 28.67164 0.000699 -0.000424 -0.000108 C 5.51914 10.89586 26.01848 0.007797 -0.008449 0.001911 C 4.05738 10.69011 25.80898 -0.004772 0.004246 -0.002673 C 1.38747 11.78184 27.81534 0.003507 -0.000904 0.001131 C 2.4574 0.91158 28.7746 0.003802 -0.00047 0.000445 C 1.744 10.89579 26.64101 -0.006068 -0.007783 -0.001427 C 3.57286 11.08818 28.19125 -0.003375 0.003553 -0.000369 C 3.20576 10.68997 26.85034 0.004292 0.004604 0.003635 C 3.57294 1.60496 28.19146 -0.003336 -0.002868 0.000185 C 5.41412 14.0514 23.2149 -0.026339 -0.001532 0.000415 C 0.60284 12.88692 27.65799 -0.003144 -0.000302 -0.000579 C 5.83474 4.07715 24.84453 -0.020113 -0.01111 -0.000331 C 5.04991 5.18213 25.00122 -0.002986 -0.010009 0.000836 C 0.1335 5.1815 29.6101 -0.004936 -0.005665 0.000625 C 5.29842 6.34662 24.20193 -0.033309 0.003439 -9.9e-05 C 7.6719 5.62381 29.86906 -0.01556 0.000358 0.000366 C 4.41215 5.55775 26.31492 -0.005906 0.001384 -0.000679 C 5.5001 7.0361 28.67137 -0.000596 8e-06 0.000498 C 5.92125 3.86312 27.32205 -0.002281 0.005106 -0.000967 C 0.35827 4.07684 28.77438 -0.006006 -0.002021 9.4e-05 C 6.84535 3.80272 28.44059 -0.011016 0.006035 0.000778 C 0.13347 7.51159 29.61004 -0.004662 0.00854 0.000326 C 5.10382 4.93764 27.46156 0.009206 -0.000747 0.001113 C 6.59509 4.93357 29.28853 -0.003768 -0.000678 0.000446 C 1.34171 3.86313 25.3376 -0.004338 -0.011614 0.001925 C 2.15895 4.93777 25.19712 3.2e-05 0.016828 -0.000638 C 6.59507 7.7595 29.28842 -0.00302 0.000229 0.000298 C 0.41753 3.80282 24.22004 0.01016 -0.017715 -0.000252 C 2.85058 5.55781 26.34388 0.003786 -0.003279 0.001497 C 7.67188 7.06927 29.86902 -0.015756 -0.000988 0.000398 C 5.5001 5.65696 28.67149 -0.000216 -0.000202 0.000107 C 6.19146 3.19111 26.01853 -0.008826 -0.008834 0.002547 C 7.65322 2.98536 25.80912 0.00318 0.003448 -0.008475 C 1.42813 4.07709 27.81544 -0.002274 -0.000848 0.00109 C 0.3582 8.61633 28.77437 -0.004685 -0.000816 0.000422 C 1.07161 3.19104 26.64115 0.007193 -0.008178 -0.002072 C 8.13774 3.38343 28.19129 0.001616 0.003095 -0.001726 C 8.50484 2.98522 26.85033 -0.002342 0.004295 0.009237 C 8.13766 9.30971 28.19123 0.001761 -0.003541 0.001756 C 6.29648 6.34665 23.2143 0.016943 0.001414 0.000219 C 2.21276 5.18217 27.658 0.003271 -0.000189 -0.000257 C 1.38754 0.9114 27.81559 0.001296 -0.001142 0.00037 C 0.60287 15.21583 27.65807 -0.001441 0.001071 0.000978 C 4.58142 15.21645 23.05408 -0.006149 -0.022657 4.1e-05 C 0.85143 14.05135 28.45711 0.000574 -0.000399 0.000953 C 3.22479 14.77419 22.80151 0.041195 -0.074955 -8.5e-05 C 8.86003 14.84018 26.344 -0.003177 0.005856 -0.001418 C 1.05297 13.36186 23.98732 -0.040221 -0.01234 0.001001 C 1.47398 1.12535 25.3376 0.008299 0.01388 -0.000426 C 4.80611 0.91159 23.88636 0.014485 0.018523 0.000446 C 2.39814 1.18574 24.22012 -0.002232 0.029292 0.000712 C 4.58136 12.88639 23.05353 -0.014621 0.041932 2.8e-05 C 0.65668 0.05077 25.19711 -0.006009 -0.017261 0.001841 C 2.14795 0.05491 23.37265 -0.04928 0.022282 0.000271 C 5.78949 1.12534 27.32223 -6.7e-05 -0.004968 0.001149 C 6.60681 0.05072 27.46177 -0.008873 0.001649 -0.000954 C 2.14791 12.63844 23.37261 -0.044464 -0.023519 0.00025 C 4.86534 1.18566 28.44081 0.01299 -0.00571 0.000176 C 7.29845 14.84014 26.31506 0.005797 0.002785 0.002283 C 3.22477 13.32871 22.8001 0.039869 0.05903 -2.5e-05 C 1.05299 14.74097 23.98754 -0.035598 0.002908 -6.5e-05 C 1.7441 1.79745 26.64125 -0.004182 0.003896 0.000997 C 3.20587 2.00326 26.85068 0.00452 -0.001953 0.00175 C 5.87592 0.91136 24.84456 0.010734 0.017384 0.000374 C 4.80603 11.78174 23.88593 0.009371 -0.02691 0.000543 C 5.51925 1.79739 26.01871 0.008764 0.00726 2.6e-05 C 3.69054 1.60494 24.46878 -0.019564 0.027915 0.000586 C 4.0575 2.00314 25.80927 -0.006491 -0.005257 -0.00086 C 3.69045 11.08839 24.46836 -0.00598 -0.024391 0.00104 C 1.84946 14.05131 29.44643 -0.00348 -0.001261 0.000419 C 6.66068 15.21582 25.00133 0.009478 0.0017 1.4e-05 168 energy=-1497.81577616 config_type=nep2xyz pbc="T T T" virial="-19.08227854963188 0.0013260375047939234 -0.03503305536858784 0.0013260375047939234 -27.331985620988682 0.014115883115548216 -0.03503305536858784 0.014115883115548216 -4.03149621780057" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.80031 0.017549 -0.002998 0.002011 B 2.965 0.89696 19.77782 -0.010813 -0.002095 -0.003442 B 0.74125 4.74933 19.78317 0.012118 0.00426 -0.003093 B 2.965 3.46521 19.80417 -0.013293 0.006336 0.002985 B 0.74125 7.31758 19.77052 0.025144 0.005293 -0.005468 B 2.965 6.03346 19.79826 -0.016155 0.002391 0.001269 B 0.74125 9.88583 19.79788 0.017052 -0.016852 0.001221 B 2.965 8.60171 19.79918 -0.017707 -0.004642 0.001607 B 0.74125 12.45408 19.80186 0.017649 0.004241 0.002189 B 2.965 11.16996 19.79123 9e-06 0.01595 -0.000395 B 0.74125 15.02233 19.796 0.014826 -0.001094 0.000299 B 2.965 13.73821 19.76379 -0.017913 -0.01484 -0.007238 B 5.18875 2.18108 19.79711 -0.00116 -0.007028 5.7e-05 B 7.4125 0.89696 19.79975 0.001788 -0.004909 0.001573 B 5.18875 4.74933 19.79734 0.002847 0.010467 0.001088 B 7.4125 3.46521 19.79113 0.008742 0.013447 -0.000746 B 5.18875 7.31758 19.79305 -0.003119 -0.004802 -0.000498 B 7.4125 6.03346 19.76092 -0.002942 -0.003417 -0.007033 B 5.18875 9.88583 19.79978 6e-05 -0.005219 0.001398 B 7.4125 8.60171 19.78011 -0.000348 -0.004033 -0.003065 B 5.18875 12.45408 19.77974 0.00126 -0.001908 -0.003772 B 7.4125 11.16996 19.80417 0.001006 0.002022 0.003345 B 5.18875 15.02233 19.76616 0.006563 0.007083 -0.006327 B 7.4125 13.73821 19.7975 -0.004589 0.003798 0.001424 N 1.4825 0.89696 19.79163 0.011775 0.001442 -9.6e-05 N 3.70625 2.18108 19.79836 0.0033 -0.022912 0.000485 N 1.4825 3.46521 19.79917 -0.009527 0.009134 0.001753 N 3.70625 4.74933 19.80527 0.007714 -0.00065 0.00421 N 1.4825 6.03346 19.78081 -0.000213 0.013061 -0.003972 N 3.70625 7.31758 19.80132 0.013438 -0.001018 0.002179 N 1.4825 8.60171 19.78662 -0.005685 -0.003738 -0.001154 N 3.70625 9.88583 19.80196 0.003283 0.007657 0.002246 N 1.4825 11.16996 19.80115 0.002082 0.003821 0.002426 N 3.70625 12.45408 19.76591 -0.001839 -0.018841 -0.006101 N 1.4825 13.73821 19.7878 0.013784 0.012448 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7.37503 26.34402 0.004267 0.005164 0.002392 C 2.00223 5.89671 23.98783 0.043787 -0.007473 -0.000154 C 1.58122 9.0697 25.33763 -0.005741 0.012712 0.001971 C 7.14409 8.85594 23.88578 -0.011422 0.014476 0.000381 C 0.65706 9.13009 24.21999 0.004739 0.032067 -0.000359 C 7.36884 5.42124 23.05343 0.03166 0.043202 4.5e-05 C 2.39852 7.99512 25.19732 0.003973 -0.013473 -0.001201 C 0.90725 7.99926 23.37299 0.031861 0.014235 0.000221 C 6.16071 9.06969 27.32191 -0.000433 -0.005393 -0.001205 C 5.34339 7.99507 27.46137 0.009948 0.001428 0.001661 C 0.90729 5.17329 23.37355 0.027456 -0.018862 0.00027 C 7.08486 9.13001 28.4405 -0.012339 -0.006981 0.00097 C 4.65175 7.37499 26.31471 -0.00374 0.003246 -0.001371 C 8.72543 5.86356 22.80146 -0.040302 0.063145 -3.6e-05 C 2.00221 7.27582 23.98772 0.034413 0.000175 0.000815 C 1.3111 9.7418 26.64125 0.005017 0.004358 -0.001403 C 8.74433 9.94761 26.85043 -0.004766 -0.003347 0.005494 C 6.07428 8.85571 24.84396 -0.003207 0.020331 -0.000238 C 7.14417 4.31659 23.88584 -0.008968 -0.035846 0.000395 C 6.43095 9.74174 26.01831 -0.009327 0.006652 0.00205 C 8.25966 9.54929 24.46846 0.015319 0.026184 0.001622 C 7.8927 9.94749 25.80906 0.006888 -0.006798 -0.004846 C 8.25975 3.62324 24.46839 -0.001358 -0.022008 0.001413 C 1.20574 6.58616 29.44652 0.00285 0.000318 0.000485 C 5.28952 7.75067 25.00072 -0.012929 -0.006542 0.000993 C 6.11546 12.0215 24.84446 0.021164 -0.005534 0.000687 C 6.90029 13.12648 25.00135 0.000168 -0.018725 -0.000624 C 2.9217 13.12585 29.61019 0.00414 -0.007321 0.000554 C 6.65178 14.29097 24.20195 0.032377 0.007102 0.000193 C 4.2783 13.56816 29.8692 0.0152 0.001586 0.000417 C 7.53805 13.5021 26.31498 0.006401 0.000697 0.003385 C 6.4501 14.98045 28.67149 0.000585 0.000584 -0.00013 C 6.02895 11.80747 27.32203 0.000709 0.004412 0.001664 C 2.69693 12.02119 28.77444 0.006108 -0.001852 0.000496 C 5.10485 11.74707 28.44063 0.012302 0.006725 -7.4e-05 C 2.92173 0.04644 29.61019 0.005339 0.009217 0.000606 C 6.84638 12.88199 27.46169 -0.008779 -0.001448 -0.001811 C 5.35511 12.87792 29.28862 0.001802 -0.001019 0.000514 C 1.71349 11.80748 25.33777 0.004624 -0.013192 -0.001171 C 0.89625 12.88212 25.1974 -0.001564 0.01641 0.003074 C 5.35513 0.29435 29.28852 0.000394 0.001793 0.000431 C 2.63767 11.74717 24.21999 -0.021977 -0.013977 0.00096 C 0.20462 13.50216 26.34422 -0.003605 -0.003443 -0.003091 C 4.27832 15.01362 29.86919 0.01562 -6.7e-05 0.00045 C 6.4501 13.60131 28.67158 -0.00079 -0.000771 0.00105 C 5.75874 11.13546 26.01848 0.007156 -0.008053 -7e-05 C 4.29698 10.92971 25.80896 -0.006097 0.00425 -0.003409 C 1.62707 12.02144 27.81555 0.002908 -0.002007 -3.9e-05 C 2.697 1.15118 28.77451 0.005321 1.6e-05 0.000148 C 1.9836 11.13539 26.64122 -0.008128 -0.00884 0.001002 C 3.81246 11.32778 28.19127 -0.002283 0.004702 -0.00057 C 3.44536 10.92957 26.85035 0.006245 0.005294 0.004302 C 3.81254 1.84456 28.19131 -0.002582 -0.003884 -0.000801 C 5.65372 14.291 23.21475 -0.022774 -0.003235 0.000237 C 0.84244 13.12652 27.65818 -0.002903 -0.000211 0.001612 C 6.07434 4.31675 24.8443 -0.015857 -0.011067 0.000186 C 5.28951 5.42173 25.00099 -0.006998 -0.006756 3e-06 C 0.3731 5.4211 29.61019 -0.005283 -0.006674 0.000533 C 5.53802 6.58622 24.20162 -0.031696 0.005357 2.3e-05 C 7.9115 5.86341 29.86904 -0.016987 -0.000357 0.000404 C 4.65175 5.79735 26.31475 -0.004719 0.001069 0.001701 C 5.7397 7.2757 28.67128 -0.000267 -0.00059 -3e-06 C 6.16085 4.10272 27.32196 -0.001592 0.004287 1.9e-05 C 0.59787 4.31644 28.77448 -0.007448 -0.002637 0.000576 C 7.08495 4.04232 28.44054 -0.011277 0.006504 0.000599 C 0.37307 7.75119 29.61013 -0.005608 0.008417 0.000527 C 5.34342 5.17724 27.46144 0.008535 -0.000104 -0.000345 C 6.83469 5.17317 29.28846 -0.003344 0.000629 0.000419 C 1.58131 4.10273 25.33785 -0.003879 -0.010972 -0.00086 C 2.39855 5.17737 25.19739 0.001617 0.014246 0.002034 C 6.83467 7.9991 29.28835 -0.002218 0.000505 0.000347 C 0.65713 4.04242 24.22022 0.017319 -0.020191 0.000771 C 3.09018 5.79741 26.34412 0.004359 -0.003113 -0.001598 C 7.91148 7.30887 29.86899 -0.01677 -0.001252 0.000399 C 5.7397 5.89656 28.67134 -3.8e-05 0.000489 0.000615 C 6.43106 3.43071 26.01844 -0.008419 -0.008074 0.001169 C 7.89282 3.22496 25.80906 0.004659 0.003337 -0.0041 C 1.66773 4.31669 27.8156 -0.002145 -0.001913 -2.9e-05 C 0.5978 8.85593 28.77447 -0.006733 0.000575 0.000274 C 1.31121 3.43064 26.64128 0.008324 -0.008919 0.001076 C 8.37734 3.62303 28.19132 0.001804 0.004035 -0.000821 C 8.74444 3.22482 26.8504 -0.005152 0.004451 0.004682 C 8.37726 9.54931 28.19127 0.002527 -0.002803 -0.000948 C 6.53608 6.58625 23.21363 0.009987 0.003779 0.00028 C 2.45236 5.42177 27.65816 0.003458 -0.000233 0.001209 C 1.62714 1.151 27.81557 0.00213 -0.001287 0.0014 C 0.84247 0.04593 27.65823 -0.004375 0.001188 -0.000914 C 4.82102 0.04655 23.05297 0.001995 -0.011675 2.5e-05 C 1.09103 14.29095 28.45727 0.000145 -0.000626 0.000602 C 3.46439 15.01379 22.80156 0.032758 -0.072231 -0.000118 C 0.20463 15.07978 26.34411 -0.003893 0.004595 0.004072 C 1.29257 13.60146 23.98802 -0.042197 -0.004349 -0.000482 C 1.71358 1.36495 25.33758 0.007361 0.016094 0.00338 C 5.04571 1.15119 23.88602 0.006502 0.02083 0.000326 C 2.63774 1.42534 24.21999 -0.005118 0.026787 -0.000896 C 4.82096 13.12599 23.05295 -0.019311 0.035703 8e-05 C 0.89628 0.29037 25.19744 -0.005554 -0.016929 -0.002595 C 2.38755 0.29451 23.37287 -0.045482 0.025044 0.000288 C 6.02909 1.36494 27.32209 0.001072 -0.004799 -0.000761 C 6.84641 0.29032 27.46157 -0.01097 0.001055 0.002108 C 2.38751 12.87804 23.37339 -0.030324 -0.016498 0.000156 C 5.10494 1.42526 28.44066 0.013597 -0.005643 0.000746 C 7.53805 15.07974 26.31497 0.005568 0.003617 -0.00235 C 3.46437 13.56831 22.80031 0.031456 0.042377 2e-06 C 1.29259 14.98057 23.98805 -0.032386 -0.006453 0.001241 C 1.9837 2.03705 26.64127 -0.004409 0.003923 -0.002513 C 3.44547 2.24286 26.8505 0.0053 -0.000959 0.005887 C 6.11552 1.15096 24.84424 0.006103 0.016318 -7.5e-05 C 5.04563 12.02134 23.88582 0.000171 -0.029413 0.000361 C 5.75885 2.03699 26.01848 0.008347 0.006126 0.00165 C 3.93014 1.84454 24.4685 -0.009709 0.031226 0.001845 C 4.2971 2.24274 25.80913 -0.007242 -0.007059 -0.004962 C 3.93005 11.32799 24.46824 0.007724 -0.025202 0.001208 C 2.08906 14.29091 29.44654 -0.002471 -0.00032 0.000461 C 6.90028 0.04592 25.00107 0.011821 0.001695 0.001277 168 energy=-1497.81510533 config_type=nep2xyz pbc="T T T" virial="-19.094298437981788 0.003037053640011889 -0.04183434450607926 0.003037053640011889 -27.314661582619603 0.02100272305980053 -0.04183434450607926 0.02100272305980053 -4.0155409923396626" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.80116 0.017457 -0.001094 0.002014 B 2.965 0.89696 19.77614 -0.007828 0.004291 -0.004251 B 0.74125 4.74933 19.78311 0.012533 0.01115 -0.003018 B 2.965 3.46521 19.80285 -0.010703 0.006822 0.002007 B 0.74125 7.31758 19.76608 0.020443 0.006028 -0.006235 B 2.965 6.03346 19.79389 -0.022179 0.002961 9.5e-05 B 0.74125 9.88583 19.79447 0.017057 -0.022807 0.000525 B 2.965 8.60171 19.79552 -0.021574 -0.003725 0.000609 B 0.74125 12.45408 19.80286 0.01803 0.001093 0.002468 B 2.965 11.16996 19.79418 0.000532 0.011255 -7.4e-05 B 0.74125 15.02233 19.79657 0.013006 0.00018 0.000148 B 2.965 13.73821 19.76629 -0.011336 -0.020153 -0.006883 B 5.18875 2.18108 19.79406 -0.002449 -0.003128 -0.000789 B 7.4125 0.89696 19.79706 0.000267 -0.003798 0.000695 B 5.18875 4.74933 19.7998 0.003982 0.01576 0.001866 B 7.4125 3.46521 19.79508 0.010086 0.01649 0.000436 B 5.18875 7.31758 19.79565 -0.00162 -0.004316 0.000374 B 7.4125 6.03346 19.76927 0.001492 0.008397 -0.005521 B 5.18875 9.88583 19.80122 0.000528 -0.009569 0.002216 B 7.4125 8.60171 19.78224 0.001897 -0.010729 -0.00239 B 5.18875 12.45408 19.78188 -0.004248 -0.003865 -0.003546 B 7.4125 11.16996 19.80405 0.001039 -0.004151 0.003472 B 5.18875 15.02233 19.76021 0.008152 0.005277 -0.007593 B 7.4125 13.73821 19.79583 -0.002108 0.003826 0.000701 N 1.4825 0.89696 19.7924 0.012443 -0.002419 -0.000391 N 3.70625 2.18108 19.79553 0.005977 -0.023498 -0.000877 N 1.4825 3.46521 19.79944 -0.009074 0.006769 0.001499 N 3.70625 4.74933 19.80406 0.002885 -0.00219 0.003445 N 1.4825 6.03346 19.77296 0.010921 0.008495 -0.005087 N 3.70625 7.31758 19.79936 0.010231 -0.000114 0.001365 N 1.4825 8.60171 19.77914 1.8e-05 0.003689 -0.002726 N 3.70625 9.88583 19.80204 0.001181 0.005124 0.002389 N 1.4825 11.16996 19.80155 -0.001143 0.004382 0.002402 N 3.70625 12.45408 19.77278 0.00244 -0.006429 -0.005704 N 1.4825 13.73821 19.79054 0.017342 0.012432 -0.001913 N 3.70625 15.02233 19.74095 0.014175 0.014025 -0.009949 N 5.93 0.89696 19.78075 -0.006463 -0.009797 -0.003679 N 8.15375 2.18108 19.80346 -0.011515 -0.00071 0.0029 N 5.93 3.46521 19.80169 0.000502 -0.008996 0.001873 N 8.15375 4.74933 19.77536 0.000249 -0.018617 -0.004379 N 5.93 6.03346 19.78709 0.001797 -0.002012 -0.001378 N 8.15375 7.31758 19.75221 -0.0394 -0.013633 -0.007764 N 5.93 8.60171 19.79497 0.005979 0.00387 0.000528 N 8.15375 9.88583 19.79787 -0.003599 -0.006623 0.001216 N 5.93 11.16996 19.79993 -0.007131 0.016954 0.001928 N 8.15375 12.45408 19.80662 -0.009364 0.006626 0.004901 N 5.93 13.73821 19.77326 -0.011239 0.014322 -0.005607 N 8.15375 15.02233 19.80101 -0.010067 -0.002539 0.001871 C 1.90726 9.09535 27.81568 -0.001578 -0.00063 0.000927 C 2.69193 7.99028 27.65836 0.005488 0.001863 -0.00029 C 7.60838 7.9909 23.0522 0.00871 -0.007352 2.7e-05 C 2.44337 6.8258 28.45742 0.000456 -0.000276 0.000364 C 0.07001 7.54864 22.8013 -0.011572 -0.079412 -1.5e-05 C 3.32977 7.61463 26.34429 0.006832 0.004029 0.002827 C 2.24183 6.13631 23.98834 0.038659 -0.005984 -0.000265 C 1.82082 9.3093 25.33796 -0.001266 0.01174 0.002044 C 7.38369 9.09554 23.88553 -0.010199 0.017483 0.000458 C 0.89666 9.36969 24.22018 0.013532 0.031228 -0.000325 C 7.60844 5.66084 23.05208 0.031245 0.034947 3.8e-05 C 2.63812 8.23472 25.19783 0.002478 -0.007466 -0.001321 C 1.14685 8.23886 23.37386 0.015614 0.004747 0.000256 C 6.40031 9.30929 27.32179 -0.00024 -0.006083 -0.001534 C 5.58299 8.23467 27.46123 0.011742 0.001161 0.002013 C 1.14689 5.41289 23.37408 0.018932 -0.018827 0.00014 C 7.32446 9.36961 28.44039 -0.012421 -0.007605 0.001099 C 4.89135 7.61459 26.31456 -0.002451 0.003033 -0.001808 C 0.07003 6.10316 22.80183 -0.030713 0.072236 0.0 C 2.24181 7.51542 23.98832 0.033834 -0.001033 0.000882 C 1.5507 9.9814 26.6414 0.006143 0.005101 -0.001452 C 0.08893 10.18721 26.85039 -0.006686 -0.003551 0.005524 C 6.31388 9.09531 24.84377 0.000288 0.019783 -0.000363 C 7.38377 4.55619 23.8854 -0.005943 -0.040393 0.000536 C 6.67055 9.98134 26.01818 -0.010137 0.007229 0.002422 C 8.49926 9.78889 24.46839 0.004943 0.022368 0.001703 C 8.1323 10.18709 25.809 0.00482 -0.006021 -0.005007 C 8.49935 3.86284 24.46816 -0.011774 -0.019451 0.001689 C 1.44534 6.82576 29.44665 0.002502 -0.000793 0.000716 C 5.52912 7.99027 25.00044 -0.014913 -0.008854 0.001226 C 6.35506 12.2611 24.84444 0.020822 -0.002496 0.000785 C 7.13989 13.36608 25.00124 0.002424 -0.019509 -0.000655 C 3.1613 13.36545 29.61034 0.005278 -0.008186 0.000619 C 6.89138 14.53057 24.20161 0.022829 0.006735 0.000352 C 4.5179 13.80776 29.86921 0.017573 0.001342 0.0005 C 7.77765 13.7417 26.31492 0.005034 0.000586 0.003541 C 6.6897 15.22005 28.6714 -0.0005 0.000285 -3.1e-05 C 6.26855 12.04707 27.32201 0.001073 0.003325 0.001912 C 2.93653 12.26079 28.77459 0.005869 -0.002491 0.000561 C 5.34445 11.98667 28.44064 0.012923 0.007057 -0.000146 C 3.16133 0.28604 29.61027 0.006286 0.009813 0.000671 C 7.08598 13.12159 27.46159 -0.010648 -0.001313 -0.001917 C 5.59471 13.11752 29.28857 0.002599 -0.00108 0.000614 C 1.95309 12.04708 25.33805 0.003795 -0.014481 -0.000958 C 1.13585 13.12172 25.19791 -0.002013 0.015351 0.002967 C 5.59473 0.53395 29.28846 -0.000637 0.001037 0.000493 C 2.87727 11.98677 24.22016 -0.026524 -0.022366 0.000933 C 0.44422 13.74176 26.34454 -0.005764 -0.002939 -0.002916 C 4.51792 15.25322 29.86917 0.017135 -0.001115 0.000486 C 6.6897 13.84091 28.67149 -0.001432 0.001093 0.001149 C 5.99834 11.37506 26.01846 0.007273 -0.007514 -0.000165 C 4.53658 11.16931 25.809 -0.007605 0.00488 -0.003245 C 1.86667 12.26104 27.81575 0.002423 -0.002852 4.4e-05 C 2.9366 1.39078 28.77459 0.007536 0.001186 9.2e-05 C 2.2232 11.37499 26.64139 -0.008806 -0.008086 0.001009 C 4.05206 11.56738 28.19136 -0.001061 0.004457 -0.000383 C 3.68496 11.16917 26.85042 0.007716 0.005159 0.004299 C 4.05214 2.08416 28.19127 -0.002985 -0.004942 -0.000923 C 5.89332 14.5306 23.21446 -0.009085 -0.00252 0.00023 C 1.08204 13.36612 27.65846 -0.004328 -0.000123 0.001728 C 6.31394 4.55635 24.8438 -0.007256 -0.012871 8.5e-05 C 5.52911 5.66133 25.00057 -0.010982 -8.2e-05 -1e-05 C 0.6127 5.6607 29.61025 -0.005355 -0.007795 0.000556 C 5.77762 6.82582 24.20106 -0.025445 0.003638 -0.00011 C 8.1511 6.10301 29.86892 -0.01923 -0.001261 0.000369 C 4.89135 6.03695 26.31453 -0.00295 0.000108 0.002064 C 5.9793 7.5153 28.67118 0.000622 0.000289 -9.8e-05 C 6.40045 4.34232 27.32171 -0.001148 0.005239 -6.9e-05 C 0.83747 4.55604 28.77451 -0.00759 -0.002705 0.000618 C 7.32455 4.28192 28.44033 -0.012359 0.006831 0.0006 C 0.61267 7.99079 29.61017 -0.006315 0.008866 0.000506 C 5.58302 5.41684 27.46122 0.011373 -1.7e-05 -0.000561 C 7.07429 5.41277 29.28827 -0.004483 0.0004 0.000403 C 1.82091 4.34233 25.33802 -0.001426 -0.010056 -0.001125 C 2.63815 5.41697 25.19774 0.001493 0.009775 0.002464 C 7.07427 8.2387 29.28827 -0.002157 0.000349 0.00032 C 0.89673 4.28202 24.22019 0.022911 -0.017781 0.000933 C 3.32978 6.03701 26.34435 0.006384 -0.003169 -0.002141 C 8.15108 7.54847 29.86892 -0.017496 -0.000118 0.000389 C 5.9793 6.13616 28.67117 0.001003 0.00062 0.000663 C 6.67066 3.67031 26.01814 -0.008665 -0.007051 0.001468 C 8.13242 3.46456 25.80892 0.004253 0.003905 -0.005564 C 1.90733 4.55629 27.81566 -0.003015 -0.002611 -0.000195 C 0.8374 9.09553 28.77451 -0.007827 0.001406 0.000343 C 1.55081 3.67024 26.64131 0.007871 -0.008679 0.001097 C 8.61694 3.86263 28.19127 0.002179 0.003343 -0.001237 C 0.08904 3.46442 26.85028 -0.006514 0.005295 0.006145 C 8.61686 9.78891 28.19125 0.001941 -0.003396 -0.000927 C 6.77568 6.82585 23.21268 -0.000698 0.006483 0.000381 C 2.69196 5.66137 27.65833 0.005138 -0.000489 0.001479 C 1.86674 1.3906 27.81571 0.001853 -0.000417 0.001582 C 1.08207 0.28553 27.65845 -0.005765 0.001473 -0.000983 C 5.06062 0.28615 23.05221 -0.001435 -0.009986 5.1e-05 C 1.33063 14.53055 28.45752 -0.001101 0.00021 0.000816 C 3.70399 15.25339 22.80202 0.029762 -0.075728 -0.000122 C 0.44423 15.31938 26.34437 -0.00554 0.00419 0.004363 C 1.53217 13.84106 23.98886 -0.043674 0.005722 -0.000366 C 1.95318 1.60455 25.33773 0.009563 0.017807 0.003773 C 5.28531 1.39079 23.88577 0.000997 0.030001 0.000299 C 2.87734 1.66494 24.21998 -0.012975 0.027842 -0.001009 C 5.06056 13.36559 23.05273 -0.026608 0.027396 0.00015 C 1.13588 0.52997 25.19783 -0.005589 -0.016314 -0.002727 C 2.62715 0.53411 23.37333 -0.039499 0.027858 0.000338 C 6.26869 1.60454 27.32199 0.000835 -0.003772 -0.000582 C 7.08601 0.52992 27.46148 -0.012184 0.002372 0.002033 C 2.62711 13.11764 23.37415 -0.018644 -0.00987 0.00022 C 5.34454 1.66486 28.4406 0.012689 -0.006391 0.000696 C 7.77765 15.31934 26.31491 0.004579 0.003056 -0.002262 C 3.70397 13.80791 22.80155 0.029702 0.038595 -2.7e-05 C 1.53219 15.22017 23.98874 -0.03389 -0.015948 0.001322 C 2.2233 2.27665 26.64138 -0.00569 0.004117 -0.002831 C 3.68507 2.48246 26.85044 0.00689 -0.001138 0.006767 C 6.35512 1.39056 24.84406 0.00521 0.012128 7e-06 C 5.28523 12.26094 23.88579 -0.00259 -0.035852 0.000318 C 5.99845 2.27659 26.01832 0.007666 0.005696 0.00166 C 4.16974 2.08414 24.46831 0.001778 0.030263 0.002251 C 4.5367 2.48234 25.80904 -0.009238 -0.008419 -0.005985 C 4.16965 11.56759 24.46823 0.014526 -0.024297 0.001309 C 2.32866 14.53051 29.44674 -0.002474 -0.000155 0.000513 C 7.13988 0.28552 25.00093 0.013466 0.002282 0.001244 168 energy=-1497.81446917 config_type=nep2xyz pbc="T T T" virial="-19.127149947777973 0.005090273002273448 -0.040764959421568034 0.005090273002273448 -27.322403930631463 0.019890562571908847 -0.040764959421568034 0.019890562571908847 -3.9987302588111464" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.8021 0.016968 -0.000208 0.001737 B 2.965 0.89696 19.77485 -0.003678 0.008343 -0.004945 B 0.74125 4.74933 19.78325 0.013322 0.017734 -0.002361 B 2.965 3.46521 19.80096 -0.006614 0.004176 0.000955 B 0.74125 7.31758 19.76273 0.009951 0.005391 -0.006629 B 2.965 6.03346 19.7903 -0.025071 0.001429 -0.000523 B 0.74125 9.88583 19.78992 0.015499 -0.025471 -0.000573 B 2.965 8.60171 19.79179 -0.023473 -0.001855 -0.000339 B 0.74125 12.45408 19.80303 0.018221 -0.00025 0.002125 B 2.965 11.16996 19.79658 -0.000415 0.005823 9.5e-05 B 0.74125 15.02233 19.79718 0.010794 -0.000179 -0.000144 B 2.965 13.73821 19.76954 -0.004799 -0.018603 -0.006028 B 5.18875 2.18108 19.78997 -0.005826 0.001042 -0.001872 B 7.4125 0.89696 19.79393 0.000507 -0.003381 -0.000445 B 5.18875 4.74933 19.80225 0.004294 0.017823 0.002691 B 7.4125 3.46521 19.7985 0.009259 0.016665 0.001479 B 5.18875 7.31758 19.79916 0.000611 -0.00266 0.001863 B 7.4125 6.03346 19.77831 0.005929 0.019107 -0.003114 B 5.18875 9.88583 19.8028 0.001267 -0.013248 0.002911 B 7.4125 8.60171 19.78474 0.00637 -0.018387 -0.00146 B 5.18875 12.45408 19.78366 -0.00857 -0.005501 -0.003188 B 7.4125 11.16996 19.80311 0.003484 -0.00961 0.003036 B 5.18875 15.02233 19.75494 0.007044 0.001903 -0.008343 B 7.4125 13.73821 19.79345 -1.6e-05 0.003481 -0.000419 N 1.4825 0.89696 19.79378 0.013235 -0.00503 -0.000722 N 3.70625 2.18108 19.79135 0.00943 -0.018799 -0.002396 N 1.4825 3.46521 19.79961 -0.008373 0.005219 0.001132 N 3.70625 4.74933 19.80287 -0.001763 -0.001158 0.002662 N 1.4825 6.03346 19.76641 0.014188 -0.004063 -0.005224 N 3.70625 7.31758 19.7981 0.005097 -0.000113 0.000922 N 1.4825 8.60171 19.771 0.005176 0.010081 -0.004372 N 3.70625 9.88583 19.80199 -0.0022 0.001978 0.002204 N 1.4825 11.16996 19.80097 -0.004091 0.001529 0.001737 N 3.70625 12.45408 19.77951 0.008723 0.004698 -0.004409 N 1.4825 13.73821 19.79282 0.01596 0.009693 -0.001393 N 3.70625 15.02233 19.73966 0.002996 0.00751 -0.009671 N 5.93 0.89696 19.77374 -0.002155 -0.012264 -0.005074 N 8.15375 2.18108 19.80388 -0.012854 -0.005655 0.002682 N 5.93 3.46521 19.80246 -0.002173 -0.016392 0.002249 N 8.15375 4.74933 19.7834 0.003314 -0.018855 -0.002081 N 5.93 6.03346 19.79437 -0.000722 -0.005272 0.001094 N 8.15375 7.31758 19.75802 -0.036938 -0.01287 -0.006473 N 5.93 8.60171 19.79812 0.003321 0.005418 0.002181 N 8.15375 9.88583 19.79499 0.001086 0.003933 0.000778 N 5.93 11.16996 19.80137 -0.005535 0.019002 0.002374 N 8.15375 12.45408 19.80563 -0.011805 0.008995 0.003687 N 5.93 13.73821 19.7701 -0.006947 0.02046 -0.00598 N 8.15375 15.02233 19.79901 -0.011477 -0.000929 0.000568 C 2.14686 9.33495 27.81585 -0.001357 -0.000309 0.000378 C 2.93153 8.22988 27.65857 0.007024 0.001418 0.000812 C 7.84798 8.2305 23.05121 0.012219 -0.002987 0.000167 C 2.68297 7.0654 28.45757 0.000913 -0.001185 0.000763 C 0.30961 7.78824 22.80084 -0.00755 -0.066546 5e-06 C 3.56937 7.85423 26.34459 0.007973 0.004204 -0.001396 C 2.48143 6.37591 23.98869 0.029107 -0.006682 0.000842 C 2.06042 9.5489 25.33829 0.00288 0.009115 -0.000161 C 7.62329 9.33514 23.88524 -0.002759 0.018077 1.1e-05 C 1.13626 9.60929 24.22024 0.023815 0.021111 0.000442 C 7.84804 5.90044 23.05064 0.020844 0.016662 0.000175 C 2.87772 8.47432 25.19823 2.1e-05 -0.00408 0.001571 C 1.38645 8.47846 23.37448 0.008965 -0.000528 0.000198 C 6.63991 9.54889 27.32161 -0.000222 -0.007538 0.001751 C 5.82259 8.47427 27.46107 0.013441 0.000687 -0.001385 C 1.38649 5.65249 23.37436 0.015479 -0.013323 0.000239 C 7.56406 9.60921 28.44027 -0.014406 -0.00769 -0.000354 C 5.13095 7.85419 26.3143 -0.002395 0.00166 0.002249 C 0.30963 6.34276 22.80107 -0.017931 0.072029 -3.1e-05 C 2.48141 7.75502 23.98878 0.028185 0.00396 -0.000129 C 1.7903 10.221 26.64155 0.005709 0.006771 0.000527 C 0.32853 10.42681 26.85042 -0.008962 -0.004608 0.000671 C 6.55348 9.33491 24.84355 0.002455 0.018382 0.000788 C 7.62337 4.79579 23.88494 -0.000462 -0.032433 7.9e-05 C 6.91015 10.22094 26.01807 -0.00948 0.006896 -0.000737 C 8.73886 10.02849 24.46827 -0.009844 0.018712 0.000456 C 8.3719 10.42669 25.80889 0.006761 -0.004003 5.2e-05 C 8.73895 4.10244 24.46789 -0.020659 -0.01805 0.000575 C 1.68494 7.06536 29.44677 0.002362 -0.000628 0.000243 C 5.76872 8.22987 25.0002 -0.016107 -0.008144 -0.000649 C 6.59466 12.5007 24.84448 0.018127 -0.002082 0.000135 C 7.37949 13.60568 25.00119 0.008506 -0.015398 0.001025 C 3.4009 13.60505 29.61054 0.005742 -0.008032 0.000678 C 7.13098 14.77017 24.20154 0.015508 0.003435 0.000421 C 4.7575 14.04736 29.86931 0.018686 0.001101 0.000659 C 8.01725 13.9813 26.31502 0.004041 0.001874 -0.00107 C 6.9293 0.05015 28.67141 -0.001103 -0.000623 0.000755 C 6.50815 12.28667 27.3221 0.001538 0.002556 -0.000511 C 3.17613 12.50039 28.77482 0.009231 -0.003253 0.000722 C 5.58405 12.22627 28.44073 0.012656 0.007524 0.001015 C 3.40093 0.52564 29.61039 0.006605 0.010497 0.000514 C 7.32558 13.36119 27.46157 -0.012484 -0.000761 0.001821 C 5.83431 13.35712 29.28864 0.003295 -0.000892 0.000517 C 2.19269 12.28668 25.33828 0.007255 -0.016042 0.000971 C 1.37545 13.36132 25.19835 -0.005128 0.01577 -0.000356 C 5.83433 0.77355 29.28848 0.000579 0.001197 0.000504 C 3.11687 12.22637 24.22046 -0.02684 -0.033468 0.000338 C 0.68382 13.98136 26.34478 -0.008129 -0.002856 0.002146 C 4.75752 0.08332 29.86923 0.018517 -0.001791 0.000592 C 6.9293 14.08051 28.67151 -0.000872 0.000823 0.000139 C 6.23794 11.61466 26.01849 0.007544 -0.007391 0.001101 C 4.77618 11.40891 25.80912 -0.01027 0.00456 0.002088 C 2.10627 12.50064 27.81603 0.001606 -0.002846 0.000794 C 3.1762 1.63038 28.77468 0.008977 0.000933 0.000856 C 2.4628 11.61459 26.64167 -0.007956 -0.006771 0.00061 C 4.29166 11.80698 28.1915 -0.002524 0.004988 0.00099 C 3.92456 11.40877 26.85067 0.009802 0.003505 -0.001047 C 4.29174 2.32376 28.1913 -0.001674 -0.005446 0.00157 C 6.13292 14.7702 23.21425 0.008305 -0.002342 0.00031 C 1.32164 13.60572 27.65876 -0.006064 -0.000776 0.000186 C 6.55354 4.79595 24.84334 0.001296 -0.015794 0.000149 C 5.76871 5.90093 25.00015 -0.014071 0.005902 0.000655 C 0.8523 5.9003 29.61021 -0.005863 -0.008816 0.000415 C 6.01722 7.06542 24.20052 -0.017494 0.001133 0.000504 C 8.3907 6.34261 29.86885 -0.020521 -0.001448 0.000296 C 5.13095 6.27655 26.31433 -0.002929 0.001551 -0.0015 C 6.2189 7.7549 28.67102 0.00069 0.000351 0.00077 C 6.64005 4.58192 27.32148 3.1e-05 0.006254 -0.00038 C 1.07707 4.79564 28.77444 -0.009029 -0.002861 7.1e-05 C 7.56415 4.52152 28.44013 -0.013585 0.007243 0.000469 C 0.85227 8.23039 29.61029 -0.006338 0.010019 0.000438 C 5.82262 5.65644 27.46099 0.012837 0.000679 0.001436 C 7.31389 5.65237 29.28814 -0.002167 0.001159 0.000264 C 2.06051 4.58193 25.33807 0.000528 -0.009565 0.002168 C 2.87775 5.65657 25.19811 -0.001147 0.006135 -0.001528 C 7.31387 8.4783 29.28818 -0.003396 -0.000752 0.000354 C 1.13633 4.52162 24.22004 0.029735 -0.011564 -0.00045 C 3.56938 6.27661 26.34447 0.007527 -0.002097 0.002517 C 8.39068 7.78807 29.86888 -0.019753 0.001552 0.000305 C 6.2189 6.37576 28.67103 0.000632 0.000371 -0.000152 C 6.91026 3.90991 26.01787 -0.008343 -0.006711 0.000752 C 8.37202 3.70416 25.80862 0.007682 0.003778 -0.000412 C 2.14693 4.79589 27.81565 -0.003084 -0.002675 0.001088 C 1.077 9.33513 28.7746 -0.009581 0.001558 0.000226 C 1.79041 3.90984 26.64135 0.006282 -0.008289 -0.001325 C 8.85654 4.10223 28.19107 0.001031 0.004624 0.000218 C 0.32864 3.70402 26.85014 -0.009879 0.005106 0.00107 C 8.85646 10.02851 28.19127 0.001555 -0.002895 0.000413 C 7.01528 7.06545 23.2119 -0.008853 0.004747 6.1e-05 C 2.93156 5.90097 27.6585 0.007579 -0.000131 -0.000646 C 2.10634 1.6302 27.81589 0.002066 0.000674 -9.7e-05 C 1.32167 0.52513 27.65865 -0.005844 0.000627 0.001419 C 5.30022 0.52575 23.05226 -0.01501 -0.015433 0.000288 C 1.57023 14.77015 28.45775 -0.000836 0.000626 0.000506 C 3.94359 0.08349 22.80279 0.032586 -0.080693 -4.3e-05 C 0.68383 0.14948 26.34471 -0.006657 0.005314 -0.001241 C 1.77177 14.08066 23.9895 -0.043721 0.014559 0.000865 C 2.19278 1.84415 25.338 0.011066 0.017314 -0.001428 C 5.52491 1.63039 23.88571 0.000657 0.039832 0.000304 C 3.11694 1.90454 24.22012 -0.021237 0.032604 0.001243 C 5.30016 13.60519 23.053 -0.032096 0.02332 0.000309 C 1.37548 0.76957 25.19809 -0.007451 -0.016361 0.002178 C 2.86675 0.77371 23.37387 -0.034864 0.026016 0.000348 C 6.50829 1.84414 27.32197 0.000939 -0.003733 0.000989 C 7.32561 0.76952 27.46152 -0.011857 0.001968 -0.000251 C 2.86671 13.35724 23.37466 -0.018484 -0.009165 0.000425 C 5.58414 1.90446 28.4406 0.012898 -0.007065 0.000397 C 8.01725 0.14944 26.31489 0.004431 0.0027 0.001764 C 3.94357 14.04751 22.80306 0.032633 0.053297 7e-06 C 1.77179 0.05027 23.98931 -0.034975 -0.019165 1.3e-05 C 2.4629 2.51625 26.64143 -0.006658 0.004721 0.002716 C 3.92467 2.72206 26.85056 0.010688 -0.001923 -0.004045 C 6.59472 1.63016 24.84407 0.008679 0.006444 0.000611 C 5.52483 12.50054 23.88595 -0.000762 -0.042596 0.000479 C 6.23805 2.51619 26.01831 0.006876 0.005419 -0.000546 C 4.40934 2.32374 24.46833 0.006182 0.026088 -0.000808 C 4.7763 2.72194 25.80894 -0.012334 -0.006954 0.004913 C 4.40925 11.80719 24.46847 0.011823 -0.023461 0.000109 C 2.56826 14.77011 29.44697 -0.002603 0.000722 0.000731 C 7.37948 0.52512 25.00098 0.012452 0.006115 -8e-06 168 energy=-1497.81355243 config_type=nep2xyz pbc="T T T" virial="-19.162653532583747 -0.0019676685555006603 -0.03811288441198018 -0.0019676685555006603 -27.360474039640064 0.009667241163981505 -0.03811288441198018 0.009667241163981505 -3.960874026819449" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.80275 0.016071 -0.00089 0.001589 B 2.965 0.89696 19.77433 0.001746 0.007693 -0.005512 B 0.74125 4.74933 19.78433 0.014659 0.022096 -0.001842 B 2.965 3.46521 19.79865 -0.001716 -0.001692 0.000292 B 0.74125 7.31758 19.76047 0.000759 0.001718 -0.006966 B 2.965 6.03346 19.7882 -0.023331 -0.001528 -0.000928 B 0.74125 9.88583 19.78459 0.014436 -0.02261 -0.0016 B 2.965 8.60171 19.78828 -0.022736 0.001415 -0.000913 B 0.74125 12.45408 19.80284 0.01735 0.000711 0.001638 B 2.965 11.16996 19.79844 -0.001445 0.002432 0.000141 B 0.74125 15.02233 19.7979 0.007635 0.000226 -0.000281 B 2.965 13.73821 19.77411 0.001314 -0.008643 -0.005502 B 5.18875 2.18108 19.78545 -0.009951 0.003537 -0.002913 B 7.4125 0.89696 19.79091 0.001085 -0.003549 -0.001393 B 5.18875 4.74933 19.80387 0.002916 0.014436 0.003311 B 7.4125 3.46521 19.80101 0.006955 0.012999 0.002207 B 5.18875 7.31758 19.80221 0.00295 0.000109 0.002845 B 7.4125 6.03346 19.78588 0.008471 0.021748 -0.001292 B 5.18875 9.88583 19.80388 0.001388 -0.014601 0.003488 B 7.4125 8.60171 19.78617 0.00907 -0.021495 -0.001122 B 5.18875 12.45408 19.78528 -0.009615 -0.00371 -0.002921 B 7.4125 11.16996 19.80123 0.006668 -0.012111 0.002464 B 5.18875 15.02233 19.75233 0.002671 0.000796 -0.009281 B 7.4125 13.73821 19.79097 0.000189 0.003477 -0.001326 N 1.4825 0.89696 19.79516 0.012854 -0.005319 -0.000889 N 3.70625 2.18108 19.7863 0.011826 -0.009674 -0.003455 N 1.4825 3.46521 19.79976 -0.007307 0.004698 0.00102 N 3.70625 4.74933 19.80168 -0.004811 0.003177 0.002332 N 1.4825 6.03346 19.76289 0.009363 -0.014804 -0.005738 N 3.70625 7.31758 19.79745 -0.001541 -0.000156 0.000772 N 1.4825 8.60171 19.76307 0.010192 0.016884 -0.005309 N 3.70625 9.88583 19.80163 -0.006002 -0.002503 0.002209 N 1.4825 11.16996 19.7998 -0.007095 -0.004556 0.001003 N 3.70625 12.45408 19.78575 0.012345 0.009479 -0.003835 N 1.4825 13.73821 19.7953 0.012162 0.00615 -0.000899 N 3.70625 15.02233 19.74195 -0.013438 -0.000236 -0.00999 N 5.93 0.89696 19.76755 0.001872 -0.015763 -0.006556 N 8.15375 2.18108 19.80388 -0.014719 -0.008309 0.002575 N 5.93 3.46521 19.80217 -0.004036 -0.019852 0.00251 N 8.15375 4.74933 19.79028 0.004146 -0.012486 -0.000314 N 5.93 6.03346 19.80042 0.001885 -0.003757 0.002957 N 8.15375 7.31758 19.76372 -0.022975 -0.002493 -0.005597 N 5.93 8.60171 19.80056 0.003345 0.004626 0.003222 N 8.15375 9.88583 19.7908 0.003484 0.011884 -0.000104 N 5.93 11.16996 19.80216 -0.004183 0.019266 0.002654 N 8.15375 12.45408 19.80397 -0.013372 0.00899 0.002794 N 5.93 13.73821 19.76763 0.00046 0.018121 -0.006678 N 8.15375 15.02233 19.79683 -0.010652 -2.7e-05 -0.000319 C 2.38646 9.57455 27.81587 -0.002275 0.000637 0.000308 C 3.17113 8.46948 27.65864 0.007307 0.000866 0.000546 C 8.08758 8.4701 23.05046 0.010557 -0.001631 0.000207 C 2.92257 7.305 28.45766 0.000866 -0.000413 0.000521 C 0.54921 8.02784 22.79992 -0.011083 -0.058632 -1e-05 C 3.80897 8.09383 26.34464 0.009014 0.004001 -0.000245 C 2.72103 6.61551 23.98879 0.021563 -0.009894 0.000482 C 2.30002 9.7885 25.33829 0.002398 0.008648 -0.00023 C 7.86289 9.57474 23.88505 0.002777 0.017687 8.7e-05 C 1.37586 9.84889 24.22007 0.030256 0.00753 0.000499 C 8.08764 6.14004 23.05039 0.011171 0.003287 0.000125 C 3.11732 8.71392 25.19831 -0.002539 -0.003704 0.000896 C 1.62605 8.71806 23.37446 0.017452 0.004618 0.000224 C 6.87951 9.78849 27.32158 0.000171 -0.008196 0.000907 C 6.06219 8.71387 27.46105 0.014313 0.000241 -0.000307 C 1.62609 5.89209 23.37436 0.0181 -0.005377 0.000153 C 7.80366 9.84881 28.44023 -0.014142 -0.006251 3.1e-05 C 5.37055 8.09379 26.31433 -0.00323 0.001552 0.000948 C 0.54923 6.58236 22.79991 -0.011599 0.058344 -9e-06 C 2.72101 7.99462 23.98885 0.021133 0.009874 0.000138 C 2.0299 10.4606 26.64151 0.005693 0.006869 0.000999 C 0.56813 10.66641 26.85037 -0.010802 -0.004007 -0.002634 C 6.79308 9.57451 24.84349 0.001082 0.01525 0.000485 C 7.86297 5.03539 23.88498 0.002989 -0.019826 0.000205 C 7.14975 10.46054 26.01802 -0.008305 0.005973 -0.00047 C 0.08346 10.26809 24.46808 -0.020848 0.017425 -0.000527 C 8.6115 10.66629 25.80875 0.008429 -0.003783 0.003334 C 0.08355 4.34204 24.46798 -0.020745 -0.017877 0.000705 C 1.92454 7.30496 29.44685 0.002961 -0.000367 0.000323 C 6.00832 8.46947 25.00021 -0.016 -0.005716 -0.000132 C 6.83426 12.7403 24.8444 0.01351 -0.005194 0.000735 C 7.61909 13.84528 25.00117 0.011525 -0.009541 0.000337 C 3.6405 13.84465 29.61049 0.005615 -0.007927 0.000637 C 7.37058 15.00977 24.20167 0.013223 -0.00042 0.000707 C 4.9971 14.28696 29.86927 0.017957 0.000171 0.000673 C 8.25685 14.2209 26.31503 0.004873 0.001327 0.000783 C 7.1689 0.28975 28.67153 -0.001183 -0.000331 0.00055 C 6.74775 12.52627 27.32208 0.002163 0.003092 0.001133 C 3.41573 12.73999 28.77477 0.008456 -0.002488 0.00081 C 5.82365 12.46587 28.44071 0.012381 0.00749 0.000484 C 3.64053 0.76524 29.61054 0.005698 0.009468 0.00062 C 7.56518 13.60079 27.46161 -0.012394 -0.000528 0.000453 C 6.07391 13.59672 29.28862 0.000717 -0.001547 0.000596 C 2.43229 12.52628 25.3382 0.010565 -0.015887 -0.000188 C 1.61505 13.60092 25.19826 -0.007675 0.01624 0.00097 C 6.07393 1.01315 29.28865 0.002925 -0.000121 0.000543 C 3.35647 12.46597 24.22045 -0.023787 -0.038946 0.000871 C 0.92342 14.22096 26.34479 -0.007748 -0.003353 0.000376 C 4.99712 0.32292 29.86929 0.017411 -0.002512 0.00069 C 7.1689 14.32011 28.67155 7.6e-05 0.000781 0.000609 C 6.47754 11.85426 26.01848 0.008637 -0.008061 -0.000351 C 5.01578 11.64851 25.80912 -0.011575 0.004411 0.005653 C 2.34587 12.74024 27.81599 0.001235 -0.002532 0.000421 C 3.4158 1.86998 28.77488 0.007864 0.000778 0.00092 C 2.7024 11.85419 26.6416 -0.006666 -0.00558 0.001839 C 4.53126 12.04658 28.19148 -0.001981 0.005801 0.001908 C 4.16416 11.64837 26.85072 0.009133 0.002015 -0.004394 C 4.53134 2.56336 28.19159 -0.0021 -0.004036 0.002235 C 6.37252 15.0098 23.21405 0.019616 -0.001129 0.000312 C 1.56124 13.84532 27.65873 -0.006735 -0.000516 0.00093 C 6.79314 5.03555 24.8434 0.001153 -0.016139 0.000111 C 6.00831 6.14053 25.00019 -0.016257 0.007012 0.000372 C 1.0919 6.1399 29.61029 -0.005286 -0.008968 0.000416 C 6.25682 7.30502 24.20047 -0.010737 -0.000912 0.000362 C 8.6303 6.58221 29.86884 -0.019098 -0.001642 0.00034 C 5.37055 6.51615 26.31435 -0.003638 0.001791 -0.000366 C 6.4585 7.9945 28.671 -8.6e-05 0.000268 0.000426 C 6.87965 4.82152 27.32152 0.000113 0.007285 -0.000287 C 1.31667 5.03524 28.77451 -0.009241 -0.00332 0.000224 C 7.80375 4.76112 28.44017 -0.013753 0.006854 0.000471 C 1.09187 8.46999 29.61032 -0.005986 0.0112 0.000341 C 6.06222 5.89604 27.46102 0.014096 0.000713 0.000794 C 7.55349 5.89197 29.28817 -0.002353 0.002365 0.000303 C 2.30011 4.82153 25.33813 0.003333 -0.007643 0.000981 C 3.11735 5.89617 25.19821 -0.002532 0.004729 -0.000232 C 7.55347 8.7179 29.28812 -0.003617 -0.00062 0.000264 C 1.37593 4.76122 24.21996 0.028485 -0.008491 1.4e-05 C 3.80898 6.51621 26.34459 0.009494 -0.002273 0.000933 C 8.63028 8.02767 29.86881 -0.020068 0.001237 0.000319 C 6.4585 6.61536 28.67105 -0.000339 -0.000104 7.6e-05 C 7.14986 4.14951 26.01792 -0.007421 -0.007768 0.001019 C 8.61162 3.94376 25.8087 0.006785 0.004064 -0.001462 C 2.38653 5.03549 27.81574 -0.003565 -0.002828 0.000665 C 1.3166 9.57473 28.77464 -0.009865 0.001614 0.000385 C 2.03001 4.14944 26.64142 0.00534 -0.007324 -0.000537 C 0.20114 4.34183 28.19115 0.002176 0.00462 -0.000104 C 0.56824 3.94362 26.8502 -0.00907 0.004592 0.002172 C 0.20106 10.26811 28.19125 0.001793 -0.003113 0.001099 C 7.25488 7.30505 23.21189 -0.012567 -0.000212 0.000102 C 3.17116 6.14057 27.65859 0.008375 -0.000292 5.1e-05 C 2.34594 1.8698 27.81606 0.000464 0.000863 0.000372 C 1.56127 0.76473 27.65874 -0.005761 0.000776 0.000916 C 5.53982 0.76535 23.05319 -0.030495 -0.023592 0.000404 C 1.80983 15.00975 28.45778 -0.001259 -0.000205 0.000608 C 4.18319 0.32309 22.80352 0.03948 -0.081586 4e-06 C 0.92343 0.38908 26.34479 -0.007973 0.005661 0.000697 C 2.01137 14.32026 23.98946 -0.038717 0.012873 0.000495 C 2.43238 2.08375 25.33828 0.010604 0.016999 -0.000338 C 5.76451 1.86999 23.88606 0.005122 0.044648 0.000306 C 3.35654 2.14414 24.22055 -0.022713 0.038023 0.000904 C 5.53976 13.84479 23.0532 -0.031281 0.023966 0.000402 C 1.61508 1.00917 25.19829 -0.007842 -0.016161 0.0008 C 3.10635 1.01331 23.37441 -0.030219 0.018646 0.000469 C 6.74789 2.08374 27.32217 0.00117 -0.002197 0.001142 C 7.56521 1.00912 27.46166 -0.012284 0.002097 0.000609 C 3.10631 13.59684 23.37442 -0.028632 -0.017039 0.000449 C 5.82374 2.14406 28.44081 0.013682 -0.007751 0.000448 C 8.25685 0.38904 26.31503 0.004896 0.001683 0.000485 C 4.18317 14.28711 22.80356 0.038959 0.076974 2.4e-05 C 2.01139 0.28987 23.98946 -0.038505 -0.013697 0.000549 C 2.7025 2.75585 26.64166 -0.00608 0.004427 0.002274 C 4.16427 2.96166 26.85086 0.010523 -0.002088 -0.006104 C 6.83432 1.86976 24.84444 0.013302 0.003563 0.000752 C 5.76443 12.74014 23.88601 0.005434 -0.045438 0.000365 C 6.47765 2.75579 26.01856 0.007167 0.005865 -0.000955 C 4.64894 2.56334 24.46869 0.002461 0.020486 -0.001218 C 5.0159 2.96154 25.80922 -0.012054 -0.005137 0.007364 C 4.64885 12.04679 24.46859 0.003646 -0.021146 -0.000781 C 2.80786 15.00971 29.44699 -0.001867 0.000106 0.000931 C 7.61908 0.76472 25.00118 0.013366 0.007726 0.00041 168 energy=-1497.8128548 config_type=nep2xyz pbc="T T T" virial="-19.1828862983827 -0.01783734320964729 -0.027333482760107 -0.01783734320964729 -27.413643866041962 0.00594578106988243 -0.027333482760107 0.00594578106988243 -3.9467153683005205" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.803 0.014038 -0.003306 0.001812 B 2.965 0.89696 19.7752 0.007329 0.003458 -0.005292 B 0.74125 4.74933 19.78612 0.01553 0.022417 -0.001556 B 2.965 3.46521 19.79669 0.003723 -0.009271 -6.4e-05 B 0.74125 7.31758 19.75839 -0.002623 -0.006471 -0.007622 B 2.965 6.03346 19.78771 -0.018105 -0.004552 -0.001405 B 0.74125 9.88583 19.77894 0.013372 -0.015118 -0.003045 B 2.965 8.60171 19.78461 -0.017577 0.004556 -0.001828 B 0.74125 12.45408 19.80262 0.015071 0.003188 0.001478 B 2.965 11.16996 19.79974 -0.000958 0.001401 0.000324 B 0.74125 15.02233 19.79872 0.003434 0.001723 9.3e-05 B 2.965 13.73821 19.77982 0.006839 0.004262 -0.004221 B 5.18875 2.18108 19.78161 -0.013096 0.001883 -0.003509 B 7.4125 0.89696 19.78849 -0.001008 -0.003602 -0.001858 B 5.18875 4.74933 19.80449 -5.5e-05 0.007494 0.003631 B 7.4125 3.46521 19.80221 0.003661 0.004975 0.002614 B 5.18875 7.31758 19.80396 0.003775 0.001977 0.003433 B 7.4125 6.03346 19.79045 0.008775 0.015762 -0.000201 B 5.18875 9.88583 19.80417 0.000631 -0.012488 0.003501 B 7.4125 8.60171 19.78585 0.007707 -0.01882 -0.00136 B 5.18875 12.45408 19.78725 -0.007283 0.002854 -0.002271 B 7.4125 11.16996 19.79898 0.008466 -0.01166 0.001635 B 5.18875 15.02233 19.7536 -0.003752 0.00227 -0.009293 B 7.4125 13.73821 19.78921 -0.001553 0.005174 -0.0017 N 1.4825 0.89696 19.79645 0.010791 -0.003738 -0.000494 N 3.70625 2.18108 19.78191 0.01194 0.000444 -0.004227 N 1.4825 3.46521 19.80004 -0.006349 0.005209 0.001185 N 3.70625 4.74933 19.80086 -0.006276 0.008884 0.002211 N 1.4825 6.03346 19.76251 -0.000194 -0.018232 -0.006165 N 3.70625 7.31758 19.79699 -0.009162 0.001332 0.000326 N 1.4825 8.60171 19.75509 0.014296 0.022005 -0.00695 N 3.70625 9.88583 19.80069 -0.00985 -0.008021 0.001978 N 1.4825 11.16996 19.79841 -0.010167 -0.013453 0.000371 N 3.70625 12.45408 19.79134 0.011399 0.008499 -0.0024 N 1.4825 13.73821 19.79798 0.008372 0.002031 -5e-06 N 3.70625 15.02233 19.74813 -0.027348 -0.004565 -0.009296 N 5.93 0.89696 19.76326 0.006936 -0.018698 -0.007598 N 8.15375 2.18108 19.80326 -0.015897 -0.007844 0.002749 N 5.93 3.46521 19.80112 -0.005089 -0.018989 0.002379 N 8.15375 4.74933 19.79488 0.002709 -0.001246 0.000751 N 5.93 6.03346 19.80409 0.006355 -0.000232 0.004425 N 8.15375 7.31758 19.76735 -0.005453 0.010827 -0.005726 N 5.93 8.60171 19.80158 0.006451 0.002549 0.00358 N 8.15375 9.88583 19.78597 0.003559 0.013741 -0.001571 N 5.93 11.16996 19.80242 -0.002286 0.015817 0.002612 N 8.15375 12.45408 19.80229 -0.013571 0.00638 0.002085 N 5.93 13.73821 19.76703 0.0065 0.005278 -0.006781 N 8.15375 15.02233 19.79482 -0.007747 -0.002016 -0.0007 C 2.62606 9.81415 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1.00433 27.65879 -0.005199 0.001192 0.000776 C 5.77942 1.00495 23.05419 -0.040856 -0.027239 4.7e-05 C 2.04943 15.24935 28.45776 -0.00042 0.000168 0.001492 C 4.42279 0.56269 22.80366 0.043431 -0.077125 0.000118 C 1.16303 0.62868 26.34482 -0.007952 0.006141 -0.000782 C 2.25097 14.55986 23.98897 -0.033211 0.001869 0.001067 C 2.67198 2.32335 25.33852 0.007916 0.014597 -0.000615 C 6.00411 2.10959 23.88647 0.010687 0.040089 0.001528 C 3.59614 2.38374 24.2209 -0.020164 0.041036 0.001446 C 5.77936 14.08439 23.05305 -0.025931 0.030443 -1.3e-05 C 1.85468 1.24877 25.19834 -0.007739 -0.01343 0.002204 C 3.34595 1.25291 23.3747 -0.02724 0.008054 0.000324 C 6.98749 2.32334 27.3224 0.002116 -0.003151 -0.001071 C 7.80481 1.24872 27.46181 -0.012058 0.002045 0.001103 C 3.34591 13.83644 23.37389 -0.041338 -0.025405 0.000414 C 6.06334 2.38366 28.44097 0.011992 -0.007671 0.001463 C 8.49645 0.62864 26.31515 0.004715 0.001342 0.000676 C 4.42277 14.52671 22.80264 0.04108 0.09459 8.7e-05 C 2.25099 0.52947 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0.000742 B 0.74125 15.02233 19.79976 -0.005246 0.007088 0.00194 B 2.965 13.73821 19.79171 0.014647 0.018995 -0.000698 B 5.18875 2.18108 19.77661 -0.013618 -0.006765 -0.003831 B 7.4125 0.89696 19.78311 -0.012387 -0.000298 -0.002437 B 5.18875 4.74933 19.80406 -0.005026 -0.006176 0.003909 B 7.4125 3.46521 19.80142 -0.001543 -0.012299 0.002638 B 5.18875 7.31758 19.80325 0.000827 0.001798 0.002739 B 7.4125 6.03346 19.79385 0.007083 0.004216 0.000489 B 5.18875 9.88583 19.80258 -0.003368 -0.003381 0.002808 B 7.4125 8.60171 19.78377 -0.001981 -0.006538 -0.003301 B 5.18875 12.45408 19.79334 0.0012 0.01875 0.000167 B 7.4125 11.16996 19.79657 0.007614 -0.006648 0.000703 B 5.18875 15.02233 19.76347 -0.011303 0.005796 -0.007804 B 7.4125 13.73821 19.78959 -0.005518 0.011497 -0.000924 N 1.4825 0.89696 19.79834 0.003777 -0.000764 0.001291 N 3.70625 2.18108 19.7777 0.002267 0.010026 -0.003531 N 1.4825 3.46521 19.80153 -0.004808 0.007101 0.002387 N 3.70625 4.74933 19.80102 -0.006152 0.01479 0.002306 N 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6.78102 6.61484 27.46166 0.010384 -0.001166 0.000258 C 8.27229 6.61077 29.28868 -0.00352 -0.000461 0.000394 C 3.01891 5.54033 25.33807 -0.005408 -0.014762 0.000415 C 3.83615 6.61497 25.1979 0.001411 0.015302 0.000123 C 8.27227 9.4367 29.28834 -0.000832 0.000824 0.000383 C 2.09473 5.48002 24.22028 0.023806 -0.023628 0.000357 C 4.52778 7.23501 26.34445 0.006318 -0.003901 0.000866 C 0.45408 8.74647 29.86905 -0.017917 -0.000956 0.000399 C 7.1773 7.33416 28.67156 -0.000532 0.000318 0.000505 C 7.86866 4.86831 26.01872 -0.008835 -0.00923 -0.000526 C 0.43542 4.66256 25.80917 0.010094 0.002455 0.006357 C 3.10533 5.75429 27.81586 -0.001134 -0.00121 0.000434 C 2.0354 10.29353 28.7744 -0.008038 0.000331 0.000528 C 2.74881 4.86824 26.64151 0.007127 -0.007081 0.001591 C 0.91994 5.06063 28.1915 0.001281 0.00512 0.002094 C 1.28704 4.66242 26.85074 -0.008479 0.003248 -0.005501 C 0.91986 10.98691 28.19107 0.001547 -0.004631 2.4e-05 C 7.97368 8.02385 23.21433 0.00188 -0.006972 0.000288 C 3.88996 6.85937 27.65845 0.004761 -0.000729 0.000437 C 3.06474 2.5886 27.81595 0.001191 -0.000464 0.000725 C 2.28007 1.48353 27.65848 -0.005151 0.002613 0.000538 C 6.25862 1.48415 23.05376 -0.032605 -0.018627 0.000292 C 2.52863 0.31905 28.45741 -0.000251 -0.002481 0.000396 C 4.90199 1.04189 22.80209 0.028713 -0.061133 3.5e-05 C 1.64223 1.10788 26.34444 -0.00788 0.005259 0.000466 C 2.73017 15.03906 23.98796 -0.029353 -0.014839 0.000463 C 3.15118 2.80255 25.3383 0.000631 0.011071 0.001633 C 6.48331 2.58879 23.88619 0.01298 0.02263 -0.000213 C 4.07534 2.86294 24.22062 -0.012501 0.034363 -0.000217 C 6.25856 14.56359 23.05186 -0.023343 0.039651 0.000433 C 2.33388 1.72797 25.19802 -0.004477 -0.008553 4.7e-05 C 3.82515 1.73211 23.37433 -0.014627 -0.001112 0.000365 C 7.46669 2.80254 27.32208 0.000636 -0.006285 0.000881 C 8.28401 1.72792 27.46145 -0.011764 0.000743 4.1e-05 C 3.82511 14.31564 23.37323 -0.030846 -0.02405 0.000416 C 6.54254 2.86286 28.44069 0.014097 -0.006552 0.000181 C 0.08065 1.10784 26.31469 0.003407 0.001849 0.000852 C 4.90197 15.00591 22.79937 0.02577 0.074871 -2.4e-05 C 2.73019 1.00867 23.98853 -0.032889 0.004473 0.000534 C 3.4213 3.47465 26.6417 -0.005216 0.005097 -0.000859 C 4.88307 3.68046 26.8508 0.005908 -0.003634 0.004098 C 7.55312 2.58856 24.84435 0.00559 0.018142 0.001065 C 6.48323 13.45894 23.88518 0.007303 -0.033598 -0.000668 C 7.19645 3.47459 26.01863 0.010533 0.007434 0.000336 C 5.36774 3.28214 24.46887 -0.01101 0.021188 0.001791 C 5.7347 3.68034 25.80941 -0.004574 -0.003184 -0.00332 C 5.36765 12.76559 24.46797 0.006021 -0.017662 -0.001557 C 3.52666 0.31901 29.44665 -0.003211 -0.002112 0.000559 C 8.33788 1.48352 25.00074 0.013775 -0.007036 -0.000576 168 energy=-1497.81723022 config_type=nep2xyz pbc="T T T" virial="-19.06970258103803 -0.011335481895819023 -0.0018821177487397622 -0.011335481895819023 -27.26666758002674 0.027076830339824304 -0.0018821177487397622 0.027076830339824304 -4.05142955577586" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.80094 -8.2e-05 -0.007808 0.002407 B 2.965 0.89696 19.78368 0.019131 -0.00251 -0.002253 B 0.74125 4.74933 19.79558 0.011448 0.0079 0.000545 B 2.965 3.46521 19.79652 0.016784 -0.019524 0.001257 B 0.74125 7.31758 19.75999 0.004638 -0.02276 -0.008024 B 2.965 6.03346 19.79179 -0.001128 -0.002876 -0.001408 B 0.74125 9.88583 19.76893 0.006115 0.012114 -0.006176 B 2.965 8.60171 19.77214 0.01574 0.004409 -0.004783 B 0.74125 12.45408 19.80214 0.007212 0.002933 0.002132 B 2.965 11.16996 19.79814 0.005244 -0.001783 0.000353 B 0.74125 15.02233 19.79956 -0.006014 0.007949 0.002043 B 2.965 13.73821 19.79576 0.016977 0.01897 0.000782 B 5.18875 2.18108 19.77439 -0.013384 -0.004395 -0.003878 B 7.4125 0.89696 19.77807 -0.014892 0.001818 -0.003024 B 5.18875 4.74933 19.80325 -0.005325 -0.008659 0.003295 B 7.4125 3.46521 19.79905 -0.002895 -0.014832 0.001751 B 5.18875 7.31758 19.80144 -0.003733 0.001313 0.001851 B 7.4125 6.03346 19.79538 0.006618 0.005518 0.000643 B 5.18875 9.88583 19.801 -0.006943 -0.001045 0.002101 B 7.4125 8.60171 19.78448 -0.004563 -0.002853 -0.003102 B 5.18875 12.45408 19.79675 0.001167 0.018631 0.001098 B 7.4125 11.16996 19.79697 0.006683 -0.006747 0.000917 B 5.18875 15.02233 19.76736 -0.012892 0.001004 -0.006069 B 7.4125 13.73821 19.79107 -0.005511 0.01237 -0.000392 N 1.4825 0.89696 19.79887 -0.000154 -0.000172 0.001576 N 3.70625 2.18108 19.77844 -0.002383 0.00594 -0.002902 N 1.4825 3.46521 19.80287 -0.004921 0.006054 0.003053 N 3.70625 4.74933 19.8017 -0.005553 0.012608 0.002529 N 1.4825 6.03346 19.77698 -0.008707 0.002491 -0.004596 N 3.70625 7.31758 19.79072 -0.015037 0.017574 -0.001853 N 1.4825 8.60171 19.73974 -0.002982 0.011443 -0.009949 N 3.70625 9.88583 19.79182 -0.0122 -0.017708 -0.000632 N 1.4825 11.16996 19.79291 -0.010415 -0.023457 -0.001367 N 3.70625 12.45408 19.80169 -0.002268 -0.003296 0.002145 N 1.4825 13.73821 19.80425 -0.001412 -0.00437 0.003618 N 3.70625 15.02233 19.77398 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4.30431 14.79484 23.37384 -0.00472 -0.012549 0.000224 C 7.02174 3.34206 28.4403 0.012551 -0.007532 0.000195 C 0.55985 1.58704 26.31444 0.003241 0.001854 -0.000331 C 5.38117 0.07561 22.80069 0.016161 0.044401 -0.000125 C 3.20939 1.48787 23.9887 -0.039571 -0.012023 0.000448 C 3.9005 3.95385 26.64129 -0.007379 0.005408 0.000844 C 5.36227 4.15966 26.85032 0.012043 -0.003327 -0.004226 C 8.03232 3.06776 24.84369 0.003539 0.014878 0.000418 C 6.96243 13.93814 23.88521 0.00173 -0.033969 -0.000128 C 7.67565 3.95379 26.01808 0.008135 0.005681 -0.000672 C 5.84694 3.76134 24.46806 0.006842 0.025079 -0.000734 C 6.2139 4.15954 25.8087 -0.011046 -0.005697 0.004645 C 5.84685 13.24479 24.46788 0.012899 -0.023661 -0.001013 C 4.00586 0.79821 29.44663 -0.003 0.000395 0.000451 C 8.81708 1.96272 25.00038 0.01413 -0.002731 0.000191 168 energy=-1497.81740905 config_type=nep2xyz pbc="T T T" virial="-19.034797851879585 -0.0008127326642285336 -0.020104439588811095 -0.0008127326642285336 -27.18684867731882 0.009367813340318361 -0.020104439588811095 0.009367813340318361 -4.049846865850784" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.7972 -0.002633 -0.004934 0.001367 B 2.965 0.89696 19.79142 0.017953 0.000254 -0.000729 B 0.74125 4.74933 19.80177 0.006456 0.006199 0.002663 B 2.965 3.46521 19.80049 0.018881 -0.008722 0.002333 B 0.74125 7.31758 19.77364 0.003398 0.001898 -0.004933 B 2.965 6.03346 19.79357 0.009579 0.013043 -0.000224 B 0.74125 9.88583 19.76962 0.003962 0.000769 -0.005689 B 2.965 8.60171 19.76695 0.023375 -0.001609 -0.006105 B 0.74125 12.45408 19.79899 0.008904 -0.010955 0.001839 B 2.965 11.16996 19.79066 0.00746 -0.008678 -0.001099 B 0.74125 15.02233 19.79767 -0.000925 0.004596 0.001119 B 2.965 13.73821 19.80005 0.018722 0.009044 0.002236 B 5.18875 2.18108 19.76984 -0.013621 0.014328 -0.006027 B 7.4125 0.89696 19.76516 -0.00168 -0.001826 -0.00664 B 5.18875 4.74933 19.79879 -0.002239 -0.009141 0.001568 B 7.4125 3.46521 19.7897 -0.004474 -0.003453 -0.001373 B 5.18875 7.31758 19.79684 -0.016619 0.002163 0.001091 B 7.4125 6.03346 19.79945 0.004162 0.012112 0.002087 B 5.18875 9.88583 19.79682 -0.016537 -0.002393 0.001016 B 7.4125 8.60171 19.7909 -0.002333 0.001121 -0.000977 B 5.18875 12.45408 19.80148 -0.005831 0.002972 0.002248 B 7.4125 11.16996 19.79894 0.005168 -0.013093 0.001974 B 5.18875 15.02233 19.77259 -0.01341 -0.009875 -0.005317 B 7.4125 13.73821 19.79323 -0.003991 0.006656 -0.000654 N 1.4825 0.89696 19.79969 -0.007039 0.00118 0.001664 N 3.70625 2.18108 19.78542 0.00404 -0.009279 -0.002006 N 1.4825 3.46521 19.8052 -0.007972 -0.001845 0.004278 N 3.70625 4.74933 19.80206 -0.003479 0.001747 0.002718 N 1.4825 6.03346 19.79127 -0.002147 0.005115 -0.001031 N 3.70625 7.31758 19.78204 -0.001735 0.010222 -0.002627 N 1.4825 8.60171 19.74554 -0.036484 0.000697 -0.008641 N 3.70625 9.88583 19.7813 -0.001249 -0.013879 -0.003056 N 1.4825 11.16996 19.78437 -0.000559 0.003739 -0.002561 N 3.70625 12.45408 19.80167 -0.004988 -0.005391 0.002624 N 1.4825 13.73821 19.80434 -0.008813 0.000996 0.003631 N 3.70625 15.02233 19.78607 0.005218 0.003416 -0.001822 N 5.93 0.89696 19.74271 0.043898 -0.002832 -0.009062 N 8.15375 2.18108 19.78062 -0.005747 -0.001911 -0.003392 N 5.93 3.46521 19.78373 0.001581 -0.001135 -0.002946 N 8.15375 4.74933 19.8019 -0.004114 -0.00899 0.002629 N 5.93 6.03346 19.80348 0.002356 -0.001031 0.003376 N 8.15375 7.31758 19.78657 -0.001012 -0.005361 -0.001647 N 5.93 8.60171 19.7988 0.015524 0.001062 0.001245 N 8.15375 9.88583 19.78405 -0.002073 0.002864 -0.002148 N 5.93 11.16996 19.80423 0.003187 0.000223 0.003651 N 8.15375 12.45408 19.8022 -0.002114 0.005805 0.00254 N 5.93 13.73821 19.79049 0.002154 0.012188 -0.001575 N 8.15375 15.02233 19.78285 -0.006701 0.002536 -0.00298 C 3.82406 11.01215 27.81569 -0.001415 0.001365 0.000167 C 4.60873 9.90708 27.65838 0.005815 0.002553 0.000784 C 0.63018 9.9077 23.05214 0.023317 -0.028755 0.000155 C 4.36017 8.7426 28.45739 -9.4e-05 6.8e-05 0.000266 C 1.98681 9.46544 22.80315 -0.026728 -0.073858 -0.000113 C 5.24657 9.53143 26.3444 0.006876 0.005822 -0.000326 C 4.15863 8.05311 23.98868 0.042515 0.015481 0.000484 C 3.73762 11.2261 25.33809 -0.002051 0.013981 -0.000312 C 0.40549 11.01234 23.88548 -0.003073 0.042382 0.000247 C 2.81346 11.28649 24.22025 0.022405 0.025163 0.000592 C 0.63024 7.57764 23.05184 0.012191 0.018318 0.000206 C 4.55492 10.15152 25.19793 0.001998 -0.010447 0.000876 C 3.06365 10.15566 23.37415 0.013846 0.021879 0.000209 C 8.31711 11.22609 27.32168 -0.000711 -0.005118 0.000879 C 7.49979 10.15147 27.46115 0.012967 0.002572 -0.000167 C 3.06369 7.32969 23.37387 0.01618 -0.020947 0.000287 C 0.34626 11.28641 28.44031 -0.014019 -0.007621 7e-05 C 6.80815 9.53139 26.31447 -0.004766 0.002765 0.00083 C 1.98683 8.01996 22.80295 -0.019156 0.079874 -0.000157 C 4.15861 9.43222 23.98875 0.046047 -0.013916 0.00019 C 3.4675 11.8982 26.64135 0.006605 0.007314 0.001186 C 2.00573 12.10401 26.85037 -0.010613 -0.003732 -0.002809 C 8.23068 11.01211 24.84382 -0.008807 0.011773 0.000312 C 0.40557 6.47299 23.88535 -0.005186 -0.036256 0.000115 C 8.58735 11.89814 26.01812 -0.007481 0.006043 -0.000447 C 1.52106 11.70569 24.46814 -0.011727 0.02434 -0.000582 C 1.1541 12.10389 25.8088 0.009599 -0.004339 0.003512 C 1.52115 5.77964 24.46806 -0.006971 -0.025583 -0.001605 C 3.36214 8.74256 29.44658 0.002586 -0.000896 0.000517 C 7.44592 9.90707 25.00052 -0.012878 0.003314 0.000129 C 8.27186 14.1779 24.84379 0.00685 -0.013567 8.6e-05 C 0.16169 15.28288 25.00058 0.012802 -0.003167 0.000865 C 5.0781 15.28225 29.6102 0.006005 -0.008376 0.000337 C 8.80818 1.03787 24.20118 0.028206 -0.003378 -7.6e-05 C 6.4347 0.31506 29.869 0.018727 0.000849 0.000381 C 0.79945 0.249 26.31459 0.004141 0.000195 -0.001098 C 8.6065 1.72735 28.67113 -0.001708 -7.5e-05 0.000585 C 8.18535 13.96387 27.32169 0.000545 0.004047 0.000322 C 4.85333 14.17759 28.77447 0.008942 -0.003223 0.000471 C 7.26125 13.90347 28.44036 0.012523 0.007119 0.000333 C 5.07813 2.20284 29.61013 0.005944 0.010427 0.000297 C 0.10778 15.03839 27.46118 -0.012795 -0.001128 0.001148 C 7.51151 15.03432 29.28827 0.001214 -0.001326 0.000256 C 3.86989 13.96388 25.33783 0.005717 -0.014583 0.000863 C 3.05265 15.03852 25.1979 -0.004781 0.012576 -0.000875 C 7.51153 2.45075 29.28825 0.003428 -5.8e-05 0.000306 C 4.79407 13.90357 24.21986 -0.019652 -0.030561 3.8e-05 C 2.36102 0.24906 26.34438 -0.007465 -0.003423 0.001915 C 6.43472 1.76052 29.86896 0.017875 -0.00238 0.000349 C 8.6065 0.34821 28.67115 -0.000188 -0.00011 0.000158 C 7.91514 13.29186 26.0181 0.007476 -0.006831 -0.000453 C 6.45338 13.08611 25.80867 -0.012717 0.005857 0.006125 C 3.78347 14.17784 27.81566 0.001633 -0.001837 0.000504 C 4.8534 3.30758 28.77444 0.00916 0.001049 0.000576 C 4.14 13.29179 26.64128 -0.005681 -0.00523 0.000806 C 5.96886 13.48418 28.1911 -0.002036 0.006151 0.001844 C 5.60176 13.08597 26.85034 0.011664 0.001909 -0.005424 C 5.96894 4.00096 28.19108 -0.001695 -0.004848 0.001719 C 7.81012 1.0379 23.21367 -0.013686 0.000281 0.000283 C 2.99884 15.28292 27.6584 -0.00687 -0.00167 -6e-06 C 8.23074 6.47315 24.84357 -0.003562 -0.015958 0.00029 C 7.44591 7.57813 25.00035 -0.01413 0.00331 0.000462 C 2.5295 7.5775 29.61009 -0.005874 -0.008277 0.000272 C 7.69442 8.74262 24.20095 -0.028558 -0.002936 0.000132 C 1.1729 8.01981 29.86884 -0.01796 0.00035 0.000355 C 6.80815 7.95375 26.31442 -0.004874 0.000393 -0.000298 C 7.8961 9.4321 28.67108 8.5e-05 7.7e-05 0.000398 C 8.31725 6.25912 27.32153 -5.9e-05 0.004803 0.000823 C 2.75427 6.47284 28.77436 -0.008013 -0.002455 0.000513 C 0.34635 6.19872 28.44022 -0.01509 0.007521 8.3e-05 C 2.52947 9.90759 29.61015 -0.00637 0.010131 0.000359 C 7.49982 7.33364 27.46104 0.011581 -0.000598 0.000517 C 0.09609 7.32957 29.28812 -0.002039 -0.000971 0.000231 C 3.73771 6.25913 25.33785 -0.002755 -0.013056 0.00025 C 4.55495 7.33377 25.19781 0.003147 0.01047 -0.000135 C 0.09607 10.1555 29.28818 -0.0026 0.001551 0.00031 C 2.81353 6.19882 24.22003 0.019008 -0.030088 0.00027 C 5.24658 7.95381 26.34433 0.007022 -0.003613 0.001101 C 1.17288 9.46527 29.86887 -0.017664 -0.001444 0.00035 C 7.8961 8.05296 28.67103 0.000175 -2.8e-05 0.000177 C 8.58746 5.58711 26.01797 -0.006139 -0.007382 -0.000999 C 1.15422 5.38136 25.8086 0.010521 0.004957 0.007634 C 3.82413 6.47309 27.81555 -0.002452 -0.002631 0.000323 C 2.7542 11.01233 28.77449 -0.007743 0.001345 0.000529 C 3.46761 5.58704 26.64123 0.004794 -0.006242 0.001267 C 1.63874 5.77943 28.19101 0.001651 0.005917 0.002152 C 2.00584 5.38122 26.85027 -0.01278 0.002974 -0.006883 C 1.63866 11.70571 28.19115 0.001584 -0.003702 0.001145 C 8.69248 8.74265 23.21303 0.00805 -0.00199 0.000223 C 4.60876 7.57817 27.65833 0.006137 -0.001195 0.000264 C 3.78354 3.3074 27.81568 0.001244 0.001723 -3e-05 C 2.99887 2.20233 27.65839 -0.006207 0.001491 0.00103 C 6.97742 2.20295 23.05207 -0.025212 -0.027379 0.000135 C 3.24743 1.03785 28.45742 -0.00114 0.000486 0.000246 C 5.62079 1.76069 22.80155 0.022311 -0.044965 -0.000143 C 2.36103 1.82668 26.34444 -0.007362 0.005959 -0.001067 C 3.44897 0.34836 23.9889 -0.042095 0.020704 0.000705 C 3.86998 3.52135 25.33793 0.00404 0.015777 -0.000866 C 7.20211 3.30759 23.88542 -0.001359 0.03739 0.000221 C 4.79414 3.58174 24.21991 -0.025118 0.024935 0.000786 C 6.97736 15.28239 23.05213 -0.017444 0.018784 0.000152 C 3.05268 2.44677 25.19792 -0.002285 -0.011788 0.001414 C 4.54395 2.45091 23.37398 -0.008879 0.015071 0.000198 C 8.18549 3.52134 27.32173 -0.000488 -0.004332 0.001429 C 0.10781 2.44672 27.46125 -0.012275 0.002479 -0.000745 C 4.54391 15.03444 23.37383 -0.01218 -0.017223 0.000292 C 7.26134 3.58166 28.44037 0.012317 -0.007803 -0.000156 C 0.79945 1.82664 26.31458 0.00412 0.002656 0.001525 C 5.62077 0.31521 22.8021 0.021723 0.052899 -0.000175 C 3.44899 1.72747 23.98888 -0.045097 -0.017756 -3.6e-05 C 4.1401 4.19345 26.64126 -0.007246 0.006332 0.001807 C 5.60187 4.39926 26.8503 0.010411 -0.00418 -0.005046 C 8.27192 3.30736 24.84389 0.0122 0.007759 0.000371 C 7.20203 14.17774 23.88548 0.001781 -0.034818 0.000231 C 7.91525 4.19339 26.01811 0.006968 0.005468 -0.001013 C 6.08654 4.00094 24.468 0.013722 0.025046 -0.001173 C 6.4535 4.39914 25.80866 -0.012812 -0.005805 0.005681 C 6.08645 13.48439 24.46808 0.007738 -0.027322 -0.001131 C 4.24546 1.03781 29.44662 -0.002357 0.000228 0.000508 C 0.16168 2.20232 25.00069 0.009582 0.008111 -2.7e-05 168 energy=-1497.81572016 config_type=nep2xyz pbc="T T T" virial="-19.07145637257663 -0.004234764934664465 -0.040080552967480844 -0.004234764934664465 -27.27620649498058 0.0028659520264900924 -0.040080552967480844 0.0028659520264900924 -4.023112238738003" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.79588 -0.001835 -0.003577 0.0006 B 2.965 0.89696 19.79533 0.014694 -0.000144 -0.000135 B 0.74125 4.74933 19.80355 0.003326 0.005668 0.003287 B 2.965 3.46521 19.80239 0.017955 -0.002248 0.00233 B 0.74125 7.31758 19.78034 0.002486 0.010648 -0.002791 B 2.965 6.03346 19.79391 0.015196 0.021656 0.00033 B 0.74125 9.88583 19.76997 0.00266 -0.008578 -0.00525 B 2.965 8.60171 19.76593 0.021466 -0.003898 -0.006351 B 0.74125 12.45408 19.7964 0.010106 -0.015896 0.00082 B 2.965 11.16996 19.7852 0.010762 -0.011047 -0.002497 B 0.74125 15.02233 19.79691 9.2e-05 0.003226 0.000661 B 2.965 13.73821 19.80103 0.017826 0.002606 0.002081 B 5.18875 2.18108 19.7672 -0.01206 0.019486 -0.006475 B 7.4125 0.89696 19.76037 0.006842 -0.003927 -0.007505 B 5.18875 4.74933 19.79559 7e-06 -0.009648 0.000275 B 7.4125 3.46521 19.78391 -0.004931 0.003439 -0.003067 B 5.18875 7.31758 19.79539 -0.021466 0.00358 0.000574 B 7.4125 6.03346 19.80096 0.001518 0.010976 0.002231 B 5.18875 9.88583 19.79447 -0.021116 -0.002376 0.000219 B 7.4125 8.60171 19.79466 -0.001164 0.003332 0.000241 B 5.18875 12.45408 19.80252 -0.00879 -0.004606 0.002037 B 7.4125 11.16996 19.7998 0.003721 -0.015937 0.002023 B 5.18875 15.02233 19.77488 -0.009957 -0.00642 -0.004477 B 7.4125 13.73821 19.79356 -0.003142 0.003694 -0.000914 N 1.4825 0.89696 19.80052 -0.008831 0.002193 0.001692 N 3.70625 2.18108 19.78944 0.013704 -0.012172 -0.001973 N 1.4825 3.46521 19.80622 -0.009761 -0.006054 0.004546 N 3.70625 4.74933 19.80176 -0.001342 -0.003253 0.002494 N 1.4825 6.03346 19.79625 -0.002705 0.005896 0.000822 N 3.70625 7.31758 19.77894 0.000366 -0.001141 -0.002938 N 1.4825 8.60171 19.75082 -0.039932 0.008805 -0.008127 N 3.70625 9.88583 19.77486 0.007732 -0.007972 -0.004672 N 1.4825 11.16996 19.77827 0.00065 0.015312 -0.003778 N 3.70625 12.45408 19.80019 -0.00671 -0.005681 0.002007 N 1.4825 13.73821 19.80377 -0.01121 0.002447 0.003105 N 3.70625 15.02233 19.79088 0.010973 0.002218 -0.000818 N 5.93 0.89696 19.74046 0.022749 -0.011246 -0.009807 N 8.15375 2.18108 19.77452 -0.009238 -0.009636 -0.005363 N 5.93 3.46521 19.77602 0.002172 0.002607 -0.004977 N 8.15375 4.74933 19.80068 -0.005353 -0.015755 0.002237 N 5.93 6.03346 19.80238 0.001206 -0.003354 0.002647 N 8.15375 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3.70721 5.82664 26.64135 0.004645 -0.00643 -0.00143 C 1.87834 6.01903 28.19116 0.003376 0.004268 -0.000857 C 2.24544 5.62082 26.85026 -0.007163 0.004431 0.005491 C 1.87826 11.94531 28.19132 0.003205 -0.002744 -0.001418 C 0.03708 8.98225 23.2126 0.000602 -0.004994 0.000429 C 4.84836 7.81777 27.65842 0.00708 -0.000879 -0.000203 C 4.02314 3.547 27.81585 0.001664 0.001511 -0.000103 C 3.23847 2.44193 27.6585 -0.005014 0.001031 0.001808 C 7.21702 2.44255 23.0526 -0.027074 -0.028079 0.000113 C 3.48703 1.27745 28.45752 -0.001689 0.000443 0.000667 C 5.86039 2.00029 22.80175 0.028269 -0.042135 -5.8e-05 C 2.60063 2.06628 26.34458 -0.007444 0.006056 -0.003328 C 3.68857 0.58796 23.98882 -0.036715 0.018256 0.001384 C 4.10958 3.76095 25.33813 0.004058 0.0158 -0.001401 C 7.44171 3.54719 23.88577 -0.002702 0.037372 0.000302 C 5.03374 3.82134 24.22021 -0.026542 0.023524 0.001055 C 7.21696 0.11249 23.05222 -0.005378 0.011248 6.8e-05 C 3.29228 2.68637 25.19799 -0.002934 -0.014653 0.003332 C 4.78355 2.69051 23.37421 -0.015749 0.012182 0.000159 C 8.42509 3.76094 27.32199 0.001686 -0.003642 0.001681 C 0.34741 2.68632 27.46153 -0.011533 0.002356 -0.001714 C 4.78351 15.27404 23.37346 -0.031586 -0.026299 0.000313 C 7.50094 3.82126 28.4406 0.012098 -0.00672 -6.5e-05 C 1.03905 2.06624 26.31484 0.005711 0.002767 0.003377 C 5.86037 0.55481 22.80231 0.027765 0.068063 -0.000136 C 3.68859 1.96707 23.98897 -0.045259 -0.010917 -0.000575 C 4.3797 4.43305 26.64145 -0.007917 0.007231 0.001246 C 5.84147 4.63886 26.85046 0.008069 -0.005194 0.004449 C 8.51152 3.54696 24.84436 0.020112 0.001325 0.000734 C 7.44163 14.41734 23.88569 0.001077 -0.032488 0.000185 C 8.15485 4.43299 26.01841 0.006648 0.005794 -3.5e-05 C 6.32614 4.24054 24.46823 0.015455 0.025006 0.001289 C 6.6931 4.63874 25.80904 -0.009338 -0.005425 -0.003609 C 6.32605 13.72399 24.46819 0.003505 -0.030371 0.00228 C 4.48506 1.27741 29.44675 -0.002649 0.00019 0.000553 C 0.40128 2.44192 25.00115 0.005272 0.017863 -0.000662 168 energy=-1497.81393068 config_type=nep2xyz pbc="T T T" virial="-19.138656531287314 -0.010993278668775428 -0.05167268728358256 -0.010993278668775428 -27.382588923187758 0.014286984729070014 -0.05167268728358256 0.014286984729070014 -3.980807364794738" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.79528 -0.002984 -0.003056 0.000444 B 2.965 0.89696 19.79854 0.010706 -0.00037 0.000677 B 0.74125 4.74933 19.80409 8.4e-05 0.002662 0.003479 B 2.965 3.46521 19.80338 0.015098 0.001138 0.002455 B 0.74125 7.31758 19.78545 0.002401 0.012572 -0.001622 B 2.965 6.03346 19.79436 0.019068 0.026141 0.000484 B 0.74125 9.88583 19.77033 2.8e-05 -0.013133 -0.005207 B 2.965 8.60171 19.76536 0.020445 -0.007053 -0.006955 B 0.74125 12.45408 19.79381 0.010627 -0.01656 0.0002 B 2.965 11.16996 19.7791 0.015953 -0.009484 -0.00381 B 0.74125 15.02233 19.79678 -0.002014 0.004002 0.000579 B 2.965 13.73821 19.80124 0.016545 -0.002964 0.001882 B 5.18875 2.18108 19.76572 -0.007676 0.016779 -0.006574 B 7.4125 0.89696 19.75969 0.011693 -0.002243 -0.007882 B 5.18875 4.74933 19.79253 0.0025 -0.012158 -0.000407 B 7.4125 3.46521 19.77911 -0.003872 0.005072 -0.003967 B 5.18875 7.31758 19.79488 -0.022311 0.003796 0.000105 B 7.4125 6.03346 19.80161 -0.000685 0.005414 0.002385 B 5.18875 9.88583 19.79139 -0.024458 -0.001537 -0.000639 B 7.4125 8.60171 19.79775 -0.000844 0.005425 0.000929 B 5.18875 12.45408 19.80238 -0.009841 -0.007904 0.001523 B 7.4125 11.16996 19.8003 0.001668 -0.015743 0.001666 B 5.18875 15.02233 19.77813 -0.004226 0.002102 -0.003914 B 7.4125 13.73821 19.79412 -0.001669 0.004312 -0.000876 N 1.4825 0.89696 19.80141 -0.008615 0.002104 0.002113 N 3.70625 2.18108 19.79252 0.022084 -0.010601 -0.00147 N 1.4825 3.46521 19.80654 -0.010729 -0.007713 0.004695 N 3.70625 4.74933 19.80115 0.00153 -0.005432 0.00226 N 1.4825 6.03346 19.79927 -0.004741 0.007811 0.001812 N 3.70625 7.31758 19.77797 -0.002909 -0.009279 -0.003486 N 1.4825 8.60171 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13.96338 28.19122 -0.003744 0.005303 -0.001151 C 6.08096 13.56517 26.85032 0.005837 0.001187 0.007779 C 6.44814 4.48016 28.19158 -0.002566 -0.003184 -0.000286 C 8.28932 1.5171 23.2144 -0.000613 0.002156 0.000232 C 3.47804 0.35262 27.65844 -0.005854 -0.000327 -0.00054 C 8.70994 6.95235 24.84397 -0.002705 -0.019412 -0.000406 C 7.92511 8.05733 25.0006 -0.015418 0.006617 0.001297 C 3.0087 8.0567 29.61034 -0.005377 -0.008169 0.000601 C 8.17362 9.22182 24.20127 -0.022538 -0.002706 -0.000139 C 1.6521 8.49901 29.86904 -0.018269 -0.000622 0.000469 C 7.28735 8.43295 26.31467 -0.00421 0.000837 -0.001481 C 8.3753 9.9113 28.67124 0.000275 0.000662 0.000621 C 8.79645 6.73832 27.32184 -0.00209 0.004536 -0.001768 C 3.23347 6.95204 28.77464 -0.008052 -0.001837 0.000498 C 0.82555 6.67792 28.44044 -0.014061 0.008532 0.001311 C 3.00867 10.38679 29.61034 -0.005538 0.009569 0.000541 C 7.97902 7.81284 27.46128 0.011998 -0.000127 0.002028 C 0.57529 7.80877 29.28838 -0.003652 -0.000236 0.000432 C 4.21691 6.73833 25.33805 -0.000613 -0.009447 0.001586 C 5.03415 7.81297 25.19784 0.003305 0.007789 -0.000707 C 0.57527 10.6347 29.28837 -0.002725 -0.000225 0.000386 C 3.29273 6.67802 24.22029 0.013962 -0.032887 -2.3e-05 C 5.72578 8.43301 26.34435 0.006584 -0.003576 0.002131 C 1.65208 9.94447 29.86904 -0.018317 0.0001 0.000452 C 8.3753 8.53216 28.67127 -0.000549 -0.000723 -4.1e-05 C 0.17166 6.06631 26.0183 -0.009968 -0.009728 0.002795 C 1.63342 5.86056 25.80912 0.003639 0.003909 -0.005392 C 4.30333 6.95229 27.81578 -0.00298 -0.001339 0.000783 C 3.2334 11.49153 28.77465 -0.009 0.001004 0.000695 C 3.94681 6.06624 26.64149 0.004944 -0.005753 -0.001038 C 2.11794 6.25863 28.19143 0.003176 0.003005 -0.001069 C 2.48504 5.86042 26.8505 -0.005004 0.004002 0.006056 C 2.11786 12.18491 28.19137 0.002327 -0.002953 -0.000889 C 0.27668 9.22185 23.21277 -0.007505 -0.010502 0.000455 C 5.08796 8.05737 27.65845 0.005283 -0.001433 1.9e-05 C 4.26274 3.7866 27.816 0.001294 0.001232 0.000318 C 3.47807 2.68153 27.65858 -0.004303 0.001119 0.001329 C 7.45662 2.68215 23.05303 -0.026384 -0.022689 0.000174 C 3.72663 1.51705 28.45759 -0.000864 -0.000704 0.000742 C 6.09999 2.23989 22.80147 0.031352 -0.040455 1e-05 C 2.84023 2.30588 26.34463 -0.006447 0.00543 -0.00174 C 3.92817 0.82756 23.98854 -0.027466 0.006726 0.001052 C 4.34918 4.00055 25.33831 0.003121 0.015457 -0.000337 C 7.68131 3.78679 23.88607 -0.004108 0.030655 0.000364 C 5.27334 4.06094 24.22049 -0.026083 0.020193 0.000739 C 7.45656 0.35209 23.05191 0.004223 0.008711 4.9e-05 C 3.53188 2.92597 25.19808 -0.001283 -0.014561 0.002286 C 5.02315 2.93011 23.37441 -0.023444 0.006015 0.00027 C 8.66469 4.00054 27.32221 0.001696 -0.004332 0.001545 C 0.58701 2.92592 27.46174 -0.011185 0.002617 -0.001125 C 5.02311 0.10414 23.37315 -0.048093 -0.031253 0.000266 C 7.74054 4.06086 28.44081 0.012102 -0.006448 0.000112 C 1.27865 2.30584 26.31506 0.005739 0.001428 0.002584 C 6.09997 0.79441 22.80125 0.029226 0.080036 -0.000152 C 3.92819 2.20667 23.98888 -0.039586 0.000527 -0.000163 C 4.6193 4.67265 26.64164 -0.008443 0.00766 0.000604 C 6.08107 4.87846 26.85067 0.006319 -0.005014 0.004792 C 8.75112 3.78656 24.84468 0.021995 0.000986 0.000774 C 7.68123 14.65694 23.88567 -0.000488 -0.027842 0.000316 C 8.39445 4.67259 26.01865 0.006775 0.007014 6.7e-05 C 6.56574 4.48014 24.46852 0.012392 0.023595 0.001587 C 6.9327 4.87834 25.80927 -0.007051 -0.003516 -0.00367 C 6.56565 13.96359 24.46822 0.004081 -0.029399 0.002452 C 4.72466 1.51701 29.44683 -0.002906 0.000388 0.000547 C 0.64088 2.68152 25.0014 0.003385 0.019381 -0.000357 168 energy=-1497.812902 config_type=nep2xyz pbc="T T T" virial="-19.179806469339308 -0.01343147666146103 -0.024339204523475558 -0.01343147666146103 -27.440977348802072 0.011720460526243063 -0.024339204523475558 0.011720460526243063 -3.9358504158418866" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.79506 -0.007666 -0.00241 0.000831 B 2.965 0.89696 19.80058 0.006375 0.001152 0.001931 B 0.74125 4.74933 19.80341 -0.003288 -0.002946 0.004038 B 2.965 3.46521 19.80328 0.010632 0.000688 0.003144 B 0.74125 7.31758 19.78869 0.004028 0.010247 -0.001169 B 2.965 6.03346 19.79524 0.019539 0.023762 0.00065 B 0.74125 9.88583 19.7713 -0.003549 -0.011203 -0.006208 B 2.965 8.60171 19.76482 0.020416 -0.011949 -0.008691 B 0.74125 12.45408 19.79222 0.009873 -0.013853 -0.000259 B 2.965 11.16996 19.77319 0.019619 -0.001825 -0.006403 B 0.74125 15.02233 19.79752 -0.005737 0.007081 0.001456 B 2.965 13.73821 19.80067 0.015089 -0.006588 0.001833 B 5.18875 2.18108 19.7662 -0.001 0.009465 -0.00735 B 7.4125 0.89696 19.76327 0.011663 0.003259 -0.008245 B 5.18875 4.74933 19.7903 0.005005 -0.015939 -0.00101 B 7.4125 3.46521 19.77589 -0.001699 0.000454 -0.005231 B 5.18875 7.31758 19.79531 -0.019096 0.00263 -0.00015 B 7.4125 6.03346 19.80131 -0.001444 -0.002807 0.002802 B 5.18875 9.88583 19.78755 -0.024572 0.000203 -0.002127 B 7.4125 8.60171 19.79974 -0.000528 0.006347 0.001596 B 5.18875 12.45408 19.80119 -0.009491 -0.00676 0.001072 B 7.4125 11.16996 19.80059 4.6e-05 -0.012372 0.001947 B 5.18875 15.02233 19.78235 0.001812 0.011225 -0.003301 B 7.4125 13.73821 19.7955 0.000139 0.008698 -4.3e-05 N 1.4825 0.89696 19.80203 -0.006239 0.000374 0.003159 N 3.70625 2.18108 19.79425 0.024259 -0.006455 -0.000669 N 1.4825 3.46521 19.8058 -0.009895 -0.005451 0.005275 N 3.70625 4.74933 19.80056 0.004577 -0.004263 0.002364 N 1.4825 6.03346 19.8007 -0.007171 0.010357 0.002463 N 3.70625 7.31758 19.77939 -0.009335 -0.008532 -0.003924 N 1.4825 8.60171 19.76013 -0.022423 0.021881 -0.00825 N 3.70625 9.88583 19.75893 0.031977 0.006675 -0.008683 N 1.4825 11.16996 19.76877 -0.008022 0.013061 -0.006393 N 3.70625 12.45408 19.79403 -0.012994 -0.010136 -0.000717 N 1.4825 13.73821 19.80219 -0.011159 -0.003088 0.002678 N 3.70625 15.02233 19.79803 0.012526 0.001838 0.001278 N 5.93 0.89696 19.74848 -0.017143 -0.014647 -0.009739 N 8.15375 2.18108 19.76988 -0.012634 -0.016866 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23.88579 -0.010468 0.040873 0.000954 C 3.53226 12.00529 24.22023 0.018738 0.023324 0.000402 C 1.34904 8.29644 23.05406 0.027876 0.023019 1.6e-05 C 5.27372 10.87032 25.19767 0.005436 -0.013459 0.000647 C 3.78245 10.87446 23.37372 0.034979 0.022054 0.000271 C 0.14091 11.94489 27.32203 -0.001524 -0.003694 -0.000795 C 8.21859 10.87027 27.46155 0.010857 0.001359 0.000951 C 3.78249 8.04849 23.37397 0.020026 0.003774 0.000357 C 1.06506 12.00521 28.44058 -0.011357 -0.006168 0.000954 C 7.52695 10.25019 26.31493 -0.005069 0.002636 8.1e-05 C 2.70563 8.73876 22.80074 -0.026465 0.060286 0.00012 C 4.87741 10.15102 23.98826 0.030216 0.012105 0.000554 C 4.1863 12.617 26.64135 0.006309 0.005163 -0.000919 C 2.72453 12.82281 26.85049 -0.004029 -0.003858 0.007489 C 0.05448 11.73091 24.84419 -0.008815 0.006504 -0.000445 C 1.12437 7.19179 23.88618 -0.014569 -0.023431 0.000989 C 0.41115 12.61694 26.01837 -0.008374 0.005906 0.00272 C 2.23986 12.42449 24.46848 -0.000437 0.018073 0.002082 C 1.8729 12.82269 25.80919 0.005865 -0.005077 -0.006666 C 2.23995 6.49844 24.46888 0.014171 -0.018233 0.001007 C 4.08094 9.46136 29.44676 0.002902 0.000647 0.000562 C 8.16472 10.62587 25.00103 -0.014907 0.001056 0.001263 C 0.09566 14.8967 24.84372 0.00216 -0.012724 0.00093 C 0.88049 0.59218 25.00075 0.014469 0.002218 -0.000106 C 5.7969 0.59155 29.61018 0.004714 -0.009339 0.000373 C 0.63198 1.75667 24.20136 0.011458 -0.005296 0.000853 C 7.1535 1.03386 29.86903 0.017089 -0.001504 0.000453 C 1.51825 0.9678 26.31473 0.004935 -4.9e-05 0.000713 C 0.4303 2.44615 28.67153 1.1e-05 0.000708 0.000329 C 0.00915 14.68267 27.32172 -0.000154 0.005097 0.00155 C 5.57213 14.89639 28.77441 0.007852 -0.001607 0.000616 C 7.98005 14.62227 28.44036 0.014372 0.006329 -4.9e-05 C 5.79693 2.92164 29.61048 0.004526 0.008847 0.000569 C 0.82658 0.34769 27.46134 -0.011744 -0.000213 -4.7e-05 C 8.23031 0.34362 29.28834 0.000406 0.000392 0.000296 C 4.58869 14.68268 25.33762 0.006059 -0.011826 -0.000424 C 3.77145 0.34782 25.19759 -0.001517 0.012764 0.000573 C 8.23033 3.16955 29.28866 0.004885 0.000588 0.000494 C 5.51287 14.62237 24.21968 -0.019005 -0.009012 0.000534 C 3.07982 0.96786 26.34432 -0.005352 -0.003792 0.000553 C 7.15352 2.47932 29.86921 0.015957 -0.001868 0.000511 C 0.4303 1.06701 28.67131 0.00033 -0.001099 0.000485 C 8.63394 14.01066 26.01812 0.005658 -0.006614 -0.001943 C 7.17218 13.80491 25.80864 -0.011435 0.005954 0.007884 C 4.50227 14.89664 27.81555 0.003161 -0.002231 0.000146 C 5.5722 4.02638 28.77485 0.005877 0.000915 0.000684 C 4.8588 14.01059 26.64112 -0.005253 -0.005337 0.002245 C 6.68766 14.20298 28.19108 -0.002528 0.006211 0.0023 C 6.32056 13.80477 26.85033 0.010271 0.00138 -0.007118 C 6.68774 4.71976 28.19162 -0.002658 -0.002241 0.000634 C 8.52892 1.7567 23.21361 0.010682 0.001615 5.5e-05 C 3.71764 0.59222 27.65834 -0.005856 -4.9e-05 0.00069 C 0.05454 7.19195 24.84454 -0.010508 -0.012178 -0.000244 C 8.16471 8.29693 25.00111 -0.011624 -0.00096 0.001222 C 3.2483 8.2963 29.61044 -0.005149 -0.00691 0.00083 C 8.41322 9.46142 24.20178 -0.019932 -0.001444 -0.000587 C 1.8917 8.73861 29.86921 -0.017047 0.000266 0.000633 C 7.52695 8.67255 26.31499 -0.003896 0.001423 0.000183 C 8.6149 10.1509 28.67143 -0.000663 0.000115 0.000428 C 0.14105 6.97792 27.32215 -0.002449 0.003863 -0.000315 C 3.47307 7.19164 28.77474 -0.006828 -0.001753 0.000554 C 1.06515 6.91752 28.44073 -0.012515 0.007859 0.000929 C 3.24827 10.62639 29.61028 -0.005533 0.009469 0.000801 C 8.21862 8.05244 27.46163 0.010661 -0.000675 0.000909 C 0.81489 8.04837 29.28865 -0.004396 -0.001516 0.000573 C 4.45651 6.97793 25.33809 -0.005614 -0.01085 0.000573 C 5.27375 8.05257 25.19782 0.005733 0.011299 0.000775 C 0.81487 10.8743 29.2885 -0.002372 -0.000251 0.000607 C 3.53233 6.91762 24.22042 0.013198 -0.036864 0.000695 C 5.96538 8.67261 26.34442 0.006168 -0.003773 0.000658 C 1.89168 10.18407 29.86913 -0.017373 -6.7e-05 0.000561 C 8.6149 8.77176 28.67156 -0.000669 -0.000802 0.000533 C 0.41126 6.30591 26.01863 -0.010516 -0.009443 0.001793 C 1.87302 6.10016 25.80935 0.004906 0.002726 -0.002712 C 4.54293 7.19189 27.81587 -0.00271 -0.00102 0.000929 C 3.473 11.73113 28.77461 -0.007661 0.000392 0.000366 C 4.18641 6.30584 26.64158 0.005928 -0.005019 -4.4e-05 C 2.35754 6.49823 28.19161 0.00181 0.002817 -0.000311 C 2.72464 6.10002 26.85074 -0.004327 0.004165 0.004046 C 2.35746 12.42451 28.19142 0.002343 -0.002525 -0.001174 C 0.51628 9.46145 23.21345 -0.015105 -0.010355 0.000758 C 5.32756 8.29697 27.65845 0.004067 -0.001971 0.000577 C 4.50234 4.0262 27.81598 0.000771 0.000134 0.000341 C 3.71767 2.92113 27.65855 -0.004604 0.002191 0.000878 C 7.69622 2.92175 23.05281 -0.022209 -0.014311 0.000275 C 3.96623 1.75665 28.45752 0.000137 -0.001132 0.000355 C 6.33959 2.47949 22.80051 0.029186 -0.042221 -8e-06 C 3.07983 2.54548 26.34457 -0.007328 0.00472 0.00023 C 4.16777 1.06716 23.9882 -0.017564 -0.009546 0.000374 C 4.58878 4.24015 25.33838 0.000389 0.012368 -0.000102 C 7.92091 4.02639 23.88607 -0.003499 0.020695 0.000277 C 5.51294 4.30054 24.22053 -0.024878 0.013847 0.000701 C 7.69616 0.59169 23.05127 0.005079 0.008236 0.000296 C 3.77148 3.16557 25.19809 0.00075 -0.011637 0.000956 C 5.26275 3.16971 23.37443 -0.02598 0.001265 0.000274 C 0.00929 4.24014 27.32222 0.00018 -0.00438 0.000492 C 0.82661 3.16552 27.46165 -0.012162 0.001858 0.000585 C 5.26271 0.34374 23.37308 -0.050255 -0.02797 0.000324 C 7.98014 4.30046 28.44078 0.013016 -0.006773 0.000534 C 1.51825 2.54544 26.31495 0.005094 0.001465 0.00046 C 6.33957 1.03401 22.7995 0.02569 0.077958 -0.000148 C 4.16779 2.44627 23.98863 -0.0297 0.012722 0.000378 C 4.8589 4.91225 26.64166 -0.00783 0.007347 0.00116 C 6.32067 5.11806 26.85078 0.007866 -0.0039 -0.000193 C 0.09572 4.02616 24.84463 0.016463 0.005818 0.000633 C 7.92083 14.89654 23.88536 -0.003258 -0.021253 -0.000174 C 8.63405 4.91219 26.0187 0.007877 0.007068 7.8e-05 C 6.80534 4.71974 24.46866 0.00993 0.021447 0.000207 C 7.1723 5.11794 25.8093 -0.00723 -0.002872 0.001314 C 6.80525 14.20319 24.4681 0.008184 -0.024918 -0.001402 C 4.96426 1.75661 29.44675 -0.002761 -0.000699 0.000643 C 0.88048 2.92112 25.00118 0.005575 0.011826 6.2e-05 168 energy=-1497.81364767 config_type=nep2xyz pbc="T T T" virial="-19.201750251273477 -0.00744292018819815 -0.0005560802439458388 -0.00744292018819815 -27.444399381072508 0.021173824673322326 -0.0005560802439458388 0.021173824673322326 -3.9401707315833114" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 B 0.74125 2.18108 19.79416 -0.015449 -0.000974 0.000911 B 2.965 0.89696 19.80178 0.002641 0.003637 0.00251 B 0.74125 4.74933 19.80208 -0.006089 -0.009807 0.003364 B 2.965 3.46521 19.80286 0.00481 -0.002471 0.00303 B 0.74125 7.31758 19.79075 0.006509 0.008132 -0.000679 B 2.965 6.03346 19.79683 0.016358 0.015935 0.000765 B 0.74125 9.88583 19.77266 -0.006285 -0.00539 -0.006159 B 2.965 8.60171 19.76358 0.019602 -0.017583 -0.008611 B 0.74125 12.45408 19.79183 0.008985 -0.00983 -0.000524 B 2.965 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