864 Lattice="20.98937585802186 0.0 0.0 0.0 20.98937585802186 0.0 0.0 0.0 20.98937585802186" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3577.9900860065172 stress="-0.006304923075893275 -0.00015621190287149804 5.5994384648122374e-05 -0.00015621190287149804 -0.006361400880633823 1.8760157118865028e-06 5.5994384648122374e-05 1.8760157118865028e-06 -0.0065444837656406145" pbc="F F F" Ni 0.01909799 0.01982774 0.00634282 0.63607509 0.64887979 0.62316034 Ni 1.74929850 1.78037532 0.02251006 -0.21358284 -0.25140726 -0.44095655 Ni 1.74841287 0.03075132 1.72826492 -0.05018439 -0.30670068 -0.05466356 Ni 0.01253136 1.73265876 1.76716741 -0.31390420 0.04963765 -0.38886806 Ni 3.47915908 0.02919091 0.00510597 0.01481280 0.20070725 0.11731597 Ni 5.23184376 1.77220718 0.00391096 0.21384631 -0.08014408 -0.09253724 Ni 5.22696088 0.02423832 1.72381539 0.09305702 -0.16627362 0.20091789 Ni 3.50752697 1.75299426 1.71549924 -0.10298751 0.13468583 0.37769702 Ni 6.95532476 0.00625070 0.02890692 0.16960323 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