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=-0.45519204653837586 stress="0.11689463125273762 -0.02185647279663301 0.01642828424959239 -0.02185647279663301 0.10189071548997784 0.018542528958360262 0.01642828424959239 0.018542528958360262 0.08772929521132762" free_energy=-0.45519204653837586 pbc="T T T"
H        0.11042859       0.20947124      -0.14487149       0.30804790       1.07714617       0.30726551
H        1.55280714       1.41333883      -0.15344509       0.45566731      -0.51666638       0.53498946
H        1.52730018      -0.17769156       1.41049160       0.72535990      -0.82630265       0.06184647
H       -0.27713580       1.43858073       1.25205420      -1.48907510       0.26582287      -0.90410145