864 Lattice="21.007230083039424 0.0 0.0 0.0 21.007230083039424 0.0 0.0 0.0 21.007230083039424" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3569.0730335608905 stress="-29.15682050094089 0.021765872096437988 -3.090310565617706 0.021765872096437988 -27.78152883809372 -0.3438022478188003 -3.090310565617706 -0.3438022478188003 -29.926554950034962" pbc="F F F" Ni -0.00539534 -0.02740225 0.03098051 0.81090707 0.88970299 0.77031217 Ni 1.76671521 1.77111977 -0.02468463 -0.43228864 -0.13011537 0.22849369 Ni 1.77191096 0.00737873 1.73642093 -0.45713440 -0.10166103 -0.28807847 Ni -0.02295912 1.78268640 1.77491164 0.17257096 -0.28069851 -0.47620930 Ni 3.49847710 -0.00288377 -0.03196629 0.05246595 0.43281822 0.52547417 Ni 5.27872572 1.71402910 -0.01178562 -0.15872023 0.16033058 0.03661922 Ni 5.28353328 -0.00394709 1.77590913 -0.33354676 -0.17158829 -0.51987909 Ni 3.49163705 1.74919395 1.74619314 0.31355939 0.06944091 -0.41668618 Ni 7.05786639 -0.00275956 0.03425821 -0.16480957 0.26856974 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