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=275.67972330474777 stress="-40.33907151523648 1.5385492541279997 -5.586909128995717 1.5385492541279997 -48.394756555888975 12.227862183796773 -5.586909128995717 12.227862183796773 -58.05067210782908" free_energy=275.67972330474777 pbc="F T T" U 0.29768454 2.98273691 2.86065667 -411.00230190 -43.89838103 321.55447399 U 1.67089611 1.68222855 2.70220318 441.71754637 -178.88303323 369.42550070 U 1.21755886 2.80510121 1.39917148 504.07810363 221.91512662 -398.72671038 U 0.26235339 1.34838096 1.71005355 -534.79334809 0.86628764 -292.25326431