864 Lattice="20.987817764282227 0.0 0.0 0.0 20.987817764282227 0.0 0.0 0.0 20.987817764282227" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3546.780159404242 stress="-0.003633530228924009 -9.401507198313546e-05 7.233097049588181e-05 -9.401507198313546e-05 -0.003722457235761783 0.0002102330092385252 7.233097049588181e-05 0.0002102330092385252 -0.0037043880587717035" pbc="F F F" Ni 0.00142127 0.00988431 0.00714211 0.45345461 0.42919196 0.46211073 Ni 1.73910862 1.73660638 0.01041846 0.13210921 0.17512897 -0.05498540 Ni 1.74142378 0.01984553 1.77048116 0.07084759 -0.20712328 -0.15388751 Ni 0.00648951 1.74353279 1.73987958 -0.04787509 0.21008745 0.18291080 Ni 3.47989230 0.02743535 0.01560602 -0.04053545 0.11499136 0.23336503 Ni 5.24555526 1.71561358 0.02053624 -0.12603726 0.30663232 -0.17949334 Ni 5.25351987 0.00134880 1.73406101 -0.16081961 -0.09607165 0.13969916 Ni 3.46399338 1.79088280 1.76687922 0.27936447 -0.18979227 -0.20655120 Ni 6.97903776 0.00549539 0.00351002 0.10520028 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0.05139133 -0.28589232 Ni 12.21539275 5.26733926 0.00176414 0.03456101 -0.24255181 -0.24259551 Ni 12.21630381 3.50376328 1.77681902 0.18929844 -0.25322747 -0.24113029 Ni 10.51708575 5.21576321 1.77934694 -0.32289370 0.28775306 -0.04879728 Ni 13.96133515 3.50697794 0.03360279 -0.03955667 -0.18046102 -0.28088907 Ni 15.71099383 5.21454983 0.02672124 0.27923462 0.18136158 -0.18821033 Ni 15.71773515 3.49776371 1.74656107 0.31144741 -0.16826240 0.17254798 Ni 13.97074066 5.23014531 1.72696798 0.08823802 0.19021732 0.25938583 Ni 17.51898636 3.51417604 0.02493361 -0.27297375 -0.11745688 -0.09901553 Ni 19.26502058 5.20333928 0.00923199 -0.18209376 0.15708360 0.25719315 Ni 19.20615228 3.49728111 1.77160895 0.35287160 -0.08536350 -0.13742823 Ni 17.51211855 5.27854528 1.77149888 -0.19914729 -0.29122130 -0.10634121 Ni 0.02316227 6.98510158 0.00801571 0.14916003 -0.01088498 0.27446491 Ni 1.72824403 8.74966268 0.02720399 0.21599507 -0.09727438 -0.28582842 Ni 1.76728766 7.01513323 1.77619493 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0.16079271 0.00489814 -0.31003370 Ni 15.71516362 8.74722137 0.03221270 0.19985186 -0.08395360 -0.36450883 Ni 15.76016757 6.99369112 1.78029710 -0.11773989 -0.06059540 -0.24903955 Ni 14.00403041 8.71309839 1.71800893 -0.16347398 0.23324631 0.49808726 Ni 17.50229360 6.96600905 0.02811613 -0.06368355 0.02888297 -0.21451557 Ni 19.24693100 8.73310809 0.00632439 -0.29056441 0.00837305 0.28751270 Ni 19.25547581 6.96985552 1.77660357 0.06071333 0.09690936 -0.13915489 Ni 17.47517866 8.73021341 1.73175903 0.21396975 0.07840272 0.19822601 Ni 0.00231999 10.47076304 0.01916099 0.10982059 0.13575700 0.20784399 Ni 1.73083119 12.27852940 0.02385546 0.23428896 -0.30461150 -0.25157051 Ni 1.73858640 10.46211699 1.72391167 0.15491548 0.14132329 0.17785188 Ni 0.01006568 12.26389062 1.76262315 -0.25476836 -0.18789208 -0.03970746 Ni 3.52537174 10.50864053 0.00455240 -0.40679465 -0.31026370 -0.26661267 Ni 5.21205707 12.20855490 0.00127962 0.42204939 0.28658091 -0.15213031 Ni 5.24129266 10.46256531 1.72478209 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