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=1.6303352237919158 stress="-0.13190148372133062 -0.03328329913565119 0.0008190073365851475 -0.03328329913565119 -0.10448778267070685 0.002152551736880969 0.0008190073365851475 0.002152551736880969 -0.10920582638200345" free_energy=1.6303352237919158 pbc="T F F" O 0.08501927 0.06603388 0.00693356 0.12096716 -1.07915007 -0.95330487 O 1.56797091 1.72580078 0.18883157 0.03113247 1.37658287 -0.96423122 O 1.49955875 0.04313966 1.44832183 -0.74463557 -0.66943284 0.80327957 O 0.25980354 1.46667242 1.77143892 0.59253594 0.37200004 1.11425651