864 Lattice="20.91295796599324 0.0 0.0 0.0 20.91295796599324 0.0 0.0 0.0 20.91295796599324" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3544.034392110218 stress="-0.006955391855031364 -6.3756207447033e-05 -5.056960411166003e-05 -6.3756207447033e-05 -0.006972862141451789 0.00019324470772292242 -5.056960411166003e-05 0.00019324470772292242 -0.0067376103350051935" pbc="F F F" Ni 0.02642801 0.00075027 0.02246260 0.41116748 0.35376957 0.42026113 Ni 1.76359201 1.70151634 0.00963132 -0.21629729 0.17920961 -0.39758532 Ni 1.76137336 0.00994714 1.78461796 -0.35943085 -0.27323434 -0.23726501 Ni 0.00733564 1.75758401 1.71052280 -0.02277822 -0.23508609 0.45021958 Ni 3.49496014 0.01690796 0.01826827 -0.15157238 -0.29519499 -0.17769378 Ni 5.19604940 1.74346184 0.01734464 0.28865236 0.27912110 -0.44837699 Ni 5.19628071 0.02339051 1.72275457 0.20781747 -0.20823857 0.41778634 Ni 3.45997921 1.74000395 1.71117521 0.31454386 0.31885348 0.76491712 Ni 6.96549736 0.02758140 0.01312727 -0.04276123 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