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=171.04126147492306 stress="-17.21518842742726 6.073142700416236 -4.75622592077618 6.073142700416236 -21.17071691632725 2.5458630079628413 -4.75622592077618 2.5458630079628413 -18.24608108042486" free_energy=171.04126147492306 pbc="T T T" U 2.85540510 0.11115480 0.31304306 119.49889007 -131.54629633 -82.58118424 U 1.70960170 1.31143450 2.83833517 -165.36440604 -22.52201001 0.34700039 U 1.28829595 2.54375720 1.64041416 -38.93281701 141.47535952 -19.80633740 U 2.77812781 1.51878885 1.32834452 84.79833298 12.59294682 102.04052125