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=-19.655605340746227 stress="-0.25554606633938143 0.12649842607078854 -0.18543646914277523 0.12649842607078854 -0.1780440931227611 -0.0362551040343594 -0.18543646914277523 -0.0362551040343594 -0.3715304629287316" free_energy=-19.655605340746227 pbc="T T T" C 2.85540510 0.11115480 0.31304306 5.31407236 -3.79775855 1.78966628 C 1.70960170 1.31143450 2.83833517 -6.05781333 1.69272157 -7.09733103 C 1.28829595 2.83509776 1.64041416 -3.30440440 -2.21524610 2.19271557 C 2.77812781 1.51878885 1.39338581 4.04814537 4.32028308 3.11494917