256 Lattice="13.957960660711246 0.0 0.0 0.0 13.957960660711246 0.0 0.0 0.0 13.957960660711246" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1018.3966881970193 stress="-9.151305796407193 0.029068171137316856 0.36112543931240637 0.029068171137316856 -10.012544004331495 -0.34163600013339934 0.36112543931240637 -0.34163600013339934 -8.64256608191667" pbc="F F F" Ni 0.01566721 -0.02283237 -0.02206131 0.77204055 0.83061772 0.74317487 Ni 1.77843074 1.77051680 -0.02123419 -0.55331904 -0.50624054 -0.14369724 Ni 1.73340900 -0.01920095 1.73452540 -0.16926478 -0.02652011 -0.16886859 Ni 0.00767871 1.73098217 1.77017886 -0.27112835 -0.17941951 -0.63710488 Ni 3.46120482 0.00288868 -0.01745032 0.13642112 0.35828913 0.31435086 Ni 5.26423788 1.77764623 -0.01047867 -0.21681501 -0.16334312 -0.20076071 Ni 5.25458847 0.00787915 1.68473419 -0.44313659 -0.19743431 0.26863477 Ni 3.47344145 1.75785178 1.72753382 0.30074250 -0.33461775 0.22389231 Ni 6.96369825 0.06426447 -0.00158363 0.33050465 -0.03982321 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