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=38.25467172433152 stress="-2.468776819842705 0.556081011792054 0.031030354722708674 0.556081011792054 -3.061191665977328 0.2401503083178008 0.031030354722708674 0.2401503083178008 -2.8484121754824994" free_energy=38.25467172433152 pbc="T T T" O 2.85540510 0.11115480 0.11044915 10.48037445 -12.45636235 -2.50236286 O 1.70960170 1.31143450 2.71512922 -13.79094029 -3.44926379 12.40740303 O 1.49088986 2.54375720 1.64041416 -9.94550390 16.01856618 -9.36902988 O 2.77812781 1.38429096 1.32834452 13.25606974 -0.11294003 -0.53601029