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=-0.8959985117700868 stress="-0.12332313122850483 -0.03669349428581791 -0.10746561172356822 -0.03669349428581791 -0.109670668889433 0.025144307048559533 -0.10746561172356822 0.025144307048559533 -0.00864888632298827" free_energy=-0.8959985117700868 pbc="T T T"
O       -0.05538709       0.23212867      -0.24705295       0.01859062       0.74980732      -1.21540814
O        1.26067717       1.67871475       0.19104769      -1.30707978       1.74997492       2.10656812
O        1.46850990      -0.04716377       1.28353165      -0.86873440      -1.23155678      -0.38071921
O       -0.29927041       1.51229390       1.34628414       2.15722357      -1.26822546      -0.51044077