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=2.154880273904777 stress="-0.14756694725788846 -0.024280872589673923 -0.02388092126474054 -0.024280872589673923 -0.23537982773361107 -0.126658605718589 -0.02388092126474054 -0.126658605718589 -0.28920932257169985" free_energy=2.154880273904777 pbc="F F T"
O        0.12593290       0.23212867      -0.24705295      -1.34101432      -3.81441544      -2.80067787
O        1.26067717       1.67871475       0.19104769       2.11090847       1.92925599       0.67387180
O        1.46850990       0.01229390       1.11044868       1.37080636      -1.43256436      -0.30176836
O        0.24339277       1.21156333       1.41738082      -2.14070050       3.31772381       2.42857443