500 Lattice="17.502929996887524 0.0 0.0 0.0 17.502929996887524 0.0 0.0 0.0 17.502929996887524" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2052.951988792442 stress="-0.0074304360228218775 -0.00031881666298734165 -6.762741632956575e-05 -0.00031881666298734165 -0.007718243504472429 0.00019776218583897082 -6.762741632956575e-05 0.00019776218583897082 -0.007684950661363168" free_energy=-2052.951988792442 pbc="F F F" Ni 0.00230804 0.01310976 0.01426294 0.30629219 0.32681371 0.27629667 Ni 1.73359411 1.76368682 0.01086690 0.35693996 -0.08019870 -0.31619398 Ni 1.73123675 0.00508240 1.74549534 0.41878132 -0.19568694 0.14582864 Ni 0.00068336 1.74878515 1.74237311 -0.24255919 0.23038711 0.31329744 Ni 3.52452864 0.00925093 0.00103869 -0.19817748 0.20881706 0.18797159 Ni 5.28883691 1.73803323 0.03401718 -0.16349289 0.36564105 -0.27191741 Ni 5.23057003 0.00308823 1.78155844 0.22100288 -0.13565342 -0.05338420 Ni 3.47890389 1.76480356 1.74679093 0.07187109 -0.06988834 0.17304217 Ni 7.03263821 0.00301232 0.01007544 -0.24176531 0.07204779 0.10557440 Ni 8.77821422 1.74535942 0.01918938 -0.22674521 0.27754655 -0.57896350 Ni 8.72191046 0.02842592 1.74378507 0.40636631 -0.51564469 0.24052718 Ni 7.01546811 1.75352678 1.76345263 -0.34904151 0.19906455 -0.06684716 Ni 10.52101866 0.01780337 0.01950230 -0.08153229 -0.15519154 0.08912052 Ni 12.23362906 1.73652390 0.02460090 0.15825710 0.49757524 -0.49675449 Ni 12.28238037 0.03372307 1.77774452 -0.49076528 -0.60520061 0.09267933 Ni 10.47691912 1.76212627 1.72718722 0.37166973 -0.14747784 0.48991106 Ni 13.96975124 0.03032012 0.02981254 -0.07444039 -0.14531931 -0.12973616 Ni 15.75917506 1.71638076 0.05720573 -0.11659129 0.61653346 -0.11759411 Ni 15.76402292 0.00801391 1.73146206 -0.11824589 0.00060358 0.44087008 Ni 13.98454398 1.72903525 1.73505763 0.22596959 0.77144189 0.22869423 Ni 0.01680339 3.47970155 0.02196458 -0.17042964 0.04307614 -0.17151463 Ni 1.73479939 5.24714405 0.00276095 0.37876839 0.08418033 -0.41360371 Ni 1.73945664 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3.53386162 0.00147909 -0.33989198 -0.46172912 -0.16718424 Ni 15.77618669 5.22895352 0.00504363 -0.12114837 0.20815914 0.16939877 Ni 15.78454104 3.50271585 1.78107376 0.15780360 -0.26508719 -0.13327766 Ni 14.01299003 5.21897197 1.73793196 -0.28159944 0.41732544 0.06975038 Ni 0.02438236 7.02311121 0.02625793 0.01816082 -0.06959014 0.11600875 Ni 1.76752449 8.73534202 0.02047178 0.15299780 0.10004510 -0.23601656 Ni 1.79354592 6.96593661 1.75806044 -0.22116691 0.39235088 0.19849222 Ni 0.01845520 8.77458307 1.76188589 -0.28859140 -0.29406720 0.16697304 Ni 3.50283208 7.01196916 0.03292694 -0.10349100 -0.25441180 -0.58291845 Ni 5.21980438 8.75999399 0.01266354 0.25615064 0.26132784 -0.51858561 Ni 5.22415922 7.03088220 1.71602487 0.35012919 -0.52692498 0.73810142 Ni 3.54222915 8.73917552 1.77088227 -0.46308871 0.34607969 0.12455434 Ni 6.97097788 7.01789469 0.03446182 0.28612271 -0.28247185 -0.48740403 Ni 8.76106837 8.72985569 0.02306503 -0.14071826 0.06888796 -0.37646090 Ni 8.77063265 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10.51605524 0.01440377 0.07462007 -0.08330285 -0.19433025 Ni 5.21798580 12.24629467 0.03192442 0.34464201 0.15334499 -0.41289741 Ni 5.28032124 10.50690686 1.73458086 -0.28063171 -0.09076925 0.15612636 Ni 3.51934574 12.25054134 1.77836514 -0.44855291 0.04559692 0.00867167 Ni 7.03389473 10.53043977 0.00492151 -0.28760813 -0.29140503 -0.38045289 Ni 8.73681089 12.25632060 0.01203627 0.36805979 0.15989716 -0.44697454 Ni 8.77023873 10.52941101 1.73047343 -0.21596938 -0.52344781 0.53798412 Ni 7.02326663 12.23585950 1.77411429 -0.16628551 0.32000131 -0.29990697 Ni 10.48800654 10.47198766 0.00918355 0.25438136 0.39094830 -0.32447089 Ni 12.27538788 12.26206661 0.02725785 -0.22424578 -0.09469583 -0.34756769 Ni 12.28478018 10.51767403 1.77746719 -0.37398125 -0.23375713 -0.16261269 Ni 10.46917299 12.24069590 1.76345684 0.50753066 0.17052911 -0.09147064 Ni 14.00825296 10.51215835 0.02683724 -0.22480658 -0.29706312 -0.31443675 Ni 15.71134357 12.24291325 0.02528245 0.08004713 0.11041986 -0.05543900 Ni 15.77415473 10.51526341 1.74996300 0.07336443 -0.10694070 0.28766858 Ni 13.97131639 12.24425792 1.78295383 0.33588482 0.18561569 -0.02454074 Ni 0.00643696 14.01051220 0.00456433 0.14253245 -0.31887954 0.31722311 Ni 1.73452833 15.75131461 0.00625366 0.30237771 -0.11330796 0.12722109 Ni 1.78220423 14.01801257 1.75488071 -0.16531106 -0.44331824 0.08920476 Ni 0.01307983 15.74814481 1.77708892 0.08823345 -0.11545456 0.08280835 Ni 3.50122384 14.01710224 0.02184725 -0.12587356 -0.45022067 -0.35885436 Ni 5.22517276 15.74769040 0.02850835 0.22788251 -0.09432065 0.01184761 Ni 5.27316605 14.00150987 1.76296063 -0.21963767 -0.13590728 0.05648177 Ni 3.48374560 15.72384743 1.74562819 0.11517206 0.48886320 0.40149451 Ni 7.02901630 13.99551616 0.01113668 -0.30792768 -0.13039099 -0.21091601 Ni 8.73527185 15.77540604 0.01767800 0.08598250 -0.22208422 0.22052500 Ni 8.77950025 13.99376797 1.75081321 -0.18163151 0.08463092 0.23970098 Ni 6.97303787 15.71795803 1.77374018 0.26451219 0.40506234 0.11262175 Ni 10.53300797 14.02241666 0.02237107 -0.28700863 -0.29489523 -0.42158342 Ni 12.26979507 15.78155409 0.00816536 0.00412065 -0.11304424 -0.01386113 Ni 12.26352434 14.03129250 1.72108441 -0.12021198 -0.52201294 0.36037716 Ni 10.51590734 15.74207259 1.75225614 -0.18840823 0.33428099 0.32790538 Ni 14.02933992 14.01728855 0.00545570 -0.30257093 -0.27389306 -0.15997902 Ni 15.77090279 15.72037459 0.02070889 -0.34152892 -0.32231800 0.44580181 Ni 15.78478087 13.95591929 1.76303917 -0.08370635 0.30429157 0.27535831 Ni 13.97882475 15.74580129 1.74027039 0.45800289 0.18084408 0.31714902 Ni 0.03360593 0.03500133 3.50942155 -0.22505129 -0.21785582 -0.18380424 Ni 1.72052625 1.74950586 3.51993752 0.65132988 0.25756772 -0.47697050 Ni 1.73695269 0.02322688 5.24674644 0.43006296 -0.38884928 0.08338841 Ni 0.00525846 1.74251043 5.22988657 -0.31955836 0.29748398 0.36488757 Ni 3.50686603 0.02006092 3.48527578 -0.23253580 -0.34476005 0.13795702 Ni 5.22314024 1.77616234 3.53774376 0.35473965 -0.24998781 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12.25632828 3.48493529 5.21749967 -0.14192313 0.06253035 0.17083909 Ni 10.48823249 5.26044785 5.22910421 0.10377216 -0.18826824 0.23836907 Ni 14.01717740 3.52948246 3.46784874 -0.47711184 -0.36512875 0.20179681 Ni 15.72619772 5.23753829 3.47873266 0.59399455 0.17753667 0.18861618 Ni 15.76443778 3.48064361 5.24587434 0.16990920 0.28891208 0.12689039 Ni 14.00753357 5.26196282 5.25533703 -0.01134959 -0.28577244 -0.07457516 Ni 0.01085874 7.02906676 3.48221889 -0.20594736 -0.16419350 0.08060443 Ni 1.78770215 8.74682571 3.48535945 -0.02857454 0.07492407 0.24204542 Ni 1.78086337 7.00735403 5.24070928 -0.31176026 -0.17484302 0.01745530 Ni 0.02662083 8.77209806 5.25876268 -0.28413448 -0.23512961 -0.20025205 Ni 3.54903866 6.98455933 3.52723691 -0.31561917 0.06124466 -0.34095519 Ni 5.28069588 8.77339476 3.49961112 -0.12480596 -0.20975750 0.06643445 Ni 5.23146151 7.02210626 5.25600082 0.35844901 -0.16749028 -0.10977500 Ni 3.50221509 8.75236933 5.27247403 -0.10457237 0.18253252 -0.31565682 Ni 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