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=209.21097492961994 stress="-5.342887642549285 -0.9350545599905593 1.2643491122673232 -0.9350545599905593 -13.63961126899198 1.6981827068992297 1.2643491122673232 1.6981827068992297 -13.090375712527182" free_energy=209.21097492961994 pbc="F T T" C 0.22094491 0.23171545 0.18190327 -48.61388996 -1.10320093 -11.81434850 C 1.32183498 1.71219253 2.92485375 43.04909955 -51.87825667 41.47327129 C 1.62990665 2.78220450 1.78278197 62.34798773 57.89908280 -53.90084910 C 0.06210000 1.70397289 1.32702941 -56.78319731 -4.91762520 24.24192631