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=-2.2502963270382095 stress="-0.097715752824465 -0.03308794375902757 -0.003475867357810762 -0.03308794375902757 -0.12320635393539829 -0.0051417869938271375 -0.003475867357810762 -0.0051417869938271375 -0.1414123493114596" free_energy=-2.2502963270382095 pbc="F T T"
O       0.13616082       2.76429260       0.12968218      -0.24160673      -0.85932574      -0.47577223 
O       1.71980528       1.56542501       0.48312259       0.49960984       0.07896580      -0.49622972 
O       1.45460942       0.07327937       1.69989723       1.39278123       0.58372282       0.66872986 
O       0.12961200       1.35699550       1.65720406      -1.65078434       0.19663712       0.30327210