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=-39.0763694917071 stress="2.383626123828235e-05 2.6733209979781335e-05 6.350493409960467e-05 2.6733209979781335e-05 2.4926108523789454e-05 -2.580343102159851e-05 6.350493409960467e-05 -2.580343102159851e-05 1.798190572827614e-05" free_energy=-39.0763694917071 pbc="F F F" Ni 20.78219307 21.21813893 20.76716069 0.55846905 0.50466542 0.50060785 Ni 22.44623313 22.33096497 22.38201197 0.16726187 0.09977732 0.04194657 Ni 23.93300593 20.72002482 20.77696427 -0.47024732 0.72278314 0.59510558 Ni 25.14786671 22.46512192 22.72586561 -0.14843769 0.43921482 -0.67342869 Ni 21.01215546 23.86230612 20.78532405 0.64637382 -0.37276052 0.63538098 Ni 22.27761356 25.68220204 22.39362841 0.31733690 -0.52780038 0.07615361 Ni 24.23573857 24.02724172 20.77538150 -0.55611038 -0.37667505 0.56442598 Ni 25.20296332 25.34887301 22.72083292 0.31777124 0.28613291 -0.36308698 Ni 20.78984966 20.98735431 23.92299150 0.63525433 0.61957000 -0.41896946 Ni 22.40698366 22.68107110 25.32825321 -0.18924173 -0.51394023 0.52282429 Ni 24.13102478 21.22963467 24.48101283 -0.99391476 -1.20797136 -0.57602193 Ni 25.46654694 22.75226748 25.33857856 0.65644115 1.19417234 0.42313620 Ni 21.04396501 24.22956549 24.20379337 -0.77322900 -0.36667737 -1.26763818 Ni 22.73854596 25.26922180 25.28229695 -1.91618157 3.42226652 3.79791673 Ni 23.78595882 24.18745344 24.02015752 2.22958321 -3.31727489 -3.40531373 Ni 25.37970777 25.77711528 25.37871118 -0.48112913 -0.60548268 -0.45303883