864 Lattice="20.91295374131704 0.0 0.0 0.0 20.91295374131704 0.0 0.0 0.0 20.91295374131704" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3544.584429480943 stress="-29.122967785784986 -2.330035916426457 1.806938331543435 -2.330035916426457 -30.032568753280856 0.317707118951688 1.806938331543435 0.317707118951688 -31.00944672989146" pbc="F F F" Ni 0.00616045 0.03479270 0.02200500 0.34828135 0.32039156 0.36033753 Ni 1.76859671 1.71187497 0.01861653 -0.28188470 0.26840956 -0.46856991 Ni 1.73346493 0.02670321 1.75630887 0.04795735 -0.45152897 -0.07003706 Ni 0.03030479 1.75133189 1.74871580 -0.44272983 0.15869365 -0.10126029 Ni 3.47228571 -0.03081262 -0.01081654 0.13483406 0.29036597 0.30593496 Ni 5.25064160 1.75109962 0.01779662 -0.38357708 -0.17227438 -0.21594533 Ni 5.24421950 -0.01724108 1.70940246 -0.34259216 -0.02304994 0.40811034 Ni 3.45721301 1.75533202 1.73989200 0.49538755 -0.25612154 0.34619676 Ni 6.94887736 0.00468978 0.02314924 0.35640490 -0.07472129 -0.14397189 Ni 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