32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-11.065570862418847 stress="-0.004576402636966736 0.00010539121823482962 -0.0004153282441182515 0.00010539121823482962 -0.003947971828659392 0.00023604520766937144 -0.0004153282441182515 0.00023604520766937144 -0.0038827916721880388" free_energy=-11.065570862418847 pbc="F F F" Ni 21.25551247 20.85444624 20.99188881 -9.23656667 -12.10735138 -7.70864352 Ni 22.51780209 22.19301936 20.88715481 12.65339659 3.43089263 -4.33223838 Ni 22.20575425 20.96963223 22.70323344 2.21774677 -5.60608920 -12.53712255 Ni 20.90395547 22.33226600 22.26288383 -9.02768568 6.68950386 3.68439611 Ni 24.36440992 20.95631248 21.11654609 -7.17620249 -6.72281822 -5.59049333 Ni 25.77370336 22.26023492 21.24849743 7.57675792 10.06913931 -12.28257687 Ni 25.51729976 21.19019325 22.69877714 12.62379782 -17.79581805 8.54548124 Ni 24.20000959 22.42891134 22.81487394 -9.50100741 12.50667927 -8.28716566 Ni 21.33356213 23.70695545 20.96504253 -5.83282527 6.92272568 -6.06076610 Ni 22.46750300 25.44115311 20.85650595 -4.10829238 8.49676295 -3.99972739 Ni 22.63032408 24.01809395 22.63286646 -4.18820941 -4.17084135 -5.62399137 Ni 21.00502461 25.62481269 22.34678965 -3.17702218 2.13280111 0.78496024 Ni 23.89005170 24.23168742 21.04313966 5.05443454 -12.60728749 -7.03988902 Ni 25.44832183 25.51275059 20.96667242 9.65605698 2.02189027 -7.90879118 Ni 25.77143892 23.66363055 22.78210328 7.54592835 4.24804527 -1.92021182 Ni 24.24759167 25.57869293 22.37801820 -4.79420501 8.71504266 9.46204078 Ni 20.74663523 20.98702489 23.73211051 -13.98155389 -4.81950288 9.01741612 Ni 22.68843096 22.67061300 24.29169807 -35.01191201 8.87444948 -49.94657867 Ni 22.16935961 20.94630638 25.53851086 13.48348357 -23.50959970 6.02321020 Ni 21.14982991 22.26024777 25.32929456 -26.54143019 11.55906793 3.42045230 Ni 23.63376263 20.89476746 23.67055556 12.48373050 -14.77651528 14.02963722 Ni 25.49252029 22.24202669 24.41102871 8.64001596 5.42194465 -3.06003817 Ni 25.52479889 20.96757400 25.77969947 0.92840742 -6.94018296 6.96566138 Ni 23.75346517 22.26772449 25.27715687 38.96166628 -14.09585117 44.59788178 Ni 20.74014891 23.96298227 24.01788918 -6.81707286 -0.83735768 -2.74643401 Ni 22.36712997 25.20940621 24.11893942 -1.30562966 9.14825107 -7.35657181 Ni 22.15545701 23.83885520 25.53926819 2.48582952 9.12963608 17.38760928 Ni 21.23010044 25.59566688 25.62528982 -6.69213503 6.34904465 6.25117818 Ni 24.12033173 24.17828948 23.92406162 -20.71784717 -21.65594212 -2.71630974 Ni 25.29301824 25.23241985 24.24635015 28.78685032 28.84848919 2.11177838 Ni 25.41540289 23.97000938 25.66911338 2.17530001 -3.61981271 8.54552098 Ni 23.67706302 25.62365747 25.45588739 2.83619478 4.70060414 8.29032542