864 Lattice="20.846906661987305 0.0 0.0 0.0 20.846906661987305 0.0 0.0 0.0 20.846906661987305" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3341.2267915901084 stress="-5.811635875147279 1.0231197766165856 -4.726273394149751 1.0231197766165856 6.378531339119957 -7.835539948649854 -4.726273394149751 -7.835539948649854 -1.870174501648942" pbc="F F F" Ni 0.00663050 0.02251878 0.00194482 0.66759146 0.60379752 0.60593640 Ni 1.73366832 1.75568123 0.04233361 0.41105815 0.04910099 -0.21680349 Ni 1.74441429 0.00537478 1.72644425 0.10377982 -0.17772936 0.00851350 Ni 0.04583457 1.70516977 1.71708994 -0.32943376 0.36275325 0.25243118 Ni 3.48197117 0.02025881 0.03227963 -0.28863027 0.27206395 0.28901985 Ni 5.18420529 1.68442048 0.05509529 0.01451779 0.73197014 -0.41306953 Ni 5.18727360 0.03009455 1.74794752 0.04964621 -0.40393152 0.25828725 Ni 3.44849415 1.76993305 1.77705147 -2789.00080004 -23.56604250 2805.79311066 Ni 6.90386809 0.04187409 0.03533925 0.22585975 0.07821810 0.22240593 Ni 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Ni 13.91630599 6.89695267 0.00097211 0.11603138 0.37440215 -0.44912638 Ni 15.61364564 8.69014006 0.06332341 0.27767726 -0.21521810 -0.89318579 Ni 15.66001272 6.96193596 1.74916918 -0.22649401 -0.27038475 -0.07014920 Ni 13.89505923 8.68426100 1.68462118 -0.17262170 -0.22914987 0.94819174 Ni 17.41652192 6.93397499 0.01667811 -0.41175099 -0.00488137 -0.23098480 Ni 19.12109138 8.64404652 0.02547547 -0.34121866 0.13501147 0.32823876 Ni 19.13992119 6.95029815 1.78113736 0.15917491 -0.01733673 -0.10761462 Ni 17.36646183 8.65093784 1.70389177 0.10331881 0.54341636 0.45478305 Ni 0.01799662 10.40262147 0.02665744 0.08640824 0.10037085 0.26594609 Ni 1.70235866 12.14328888 0.00998270 0.49191381 0.02344459 -0.25039846 Ni 1.76505099 10.39755349 1.71548220 -0.12039909 0.10320064 0.20618880 Ni 0.01650148 12.15400758 1.72052197 -0.28711793 0.02900347 0.18468786 Ni 3.53294679 10.45827051 0.01354161 -1536.47082335 16.90930749 -1578.47718319 Ni 5.16474422 12.15180854 0.02304135 0.71670543 0.35925225 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