4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=50.0016153187779 stress="-3.4989869807501806 -0.0964412318438917 0.02756450601644973 -0.0964412318438917 -3.717465465109315 0.013594952297003492 0.02756450601644973 0.013594952297003492 -3.4695265722696256" free_energy=50.0016153187779 pbc="T T T" F 2.91812645 2.70122014 0.23212867 8.09993417 -1.62655916 -8.94578749 F 1.49633983 1.26067717 0.17871475 -7.35387825 3.55000091 -8.13478196 F 1.69104769 2.96850990 1.45283623 -11.76534014 -8.11404996 9.14524320 F 2.78353165 1.20072959 1.51229390 11.01928422 6.19060822 7.93532626