16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-39.320172120678286 stress="-2.3846184114036745e-05 -1.074420411339417e-05 1.0102515184167485e-05 -1.074420411339417e-05 7.247055981285962e-06 -6.379507077253209e-05 1.0102515184167485e-05 -6.379507077253209e-05 1.8111611620488044e-05" free_energy=-39.320172120678286 pbc="F F F" Ni 20.83096497 20.88201197 20.93300593 0.15347855 0.23359317 0.06366086 Ni 22.22002482 22.04125687 22.41661558 -0.10128225 0.80762230 1.24867626 Ni 23.96512192 21.22586561 21.29391194 -1.19408290 -2.09379957 -1.78509678 Ni 25.22614529 22.52103145 22.27761356 2.18692197 1.27633790 0.82364758 Ni 21.18220204 23.89362841 21.23573857 -0.97469976 -1.09151337 -0.58930062 Ni 22.52724172 25.27538150 22.20296332 0.39838298 1.49906100 2.10831253 Ni 23.84887301 24.22083292 20.78984966 0.67675973 -0.92458420 -0.54403178 Ni 25.44196373 25.49627087 22.60688089 -0.03290388 0.04945818 -0.25224504 Ni 21.18107110 20.82825321 24.26063678 0.30405618 0.32575084 -0.05966561 Ni 22.59995250 22.63546615 25.51193751 0.29440717 0.16268763 -0.48569054 Ni 24.25226748 20.96431997 24.20116907 -0.45819055 0.46633146 -0.27549406 Ni 25.57236142 22.46944183 25.73854596 -0.42379865 0.33806049 -0.38551844 Ni 20.76922180 23.66737296 24.02031036 0.60564208 -0.19885333 -0.36328333 Ni 22.98513798 25.52015752 25.37970777 -0.78737178 -0.44611233 -0.61885541 Ni 24.27711528 23.87871118 23.75213077 -1.42423645 -0.15906257 1.06522866 Ni 25.21398803 25.07890018 25.63616082 0.77691755 -0.24497760 0.04965571