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=-2.109671822496707 stress="-0.3253973792648385 0.062041822737433076 -0.04221047097728557 0.062041822737433076 -0.011300853733511038 -0.13635306392019997 -0.04221047097728557 -0.13635306392019997 -0.11738120734393295" free_energy=-2.109671822496707 pbc="F T T"
O        0.04052745      -0.26582914      -0.05829007      -3.78036344      -0.58834382       1.28031932
O        1.68168807       1.64109445       0.03839703       4.89476571       0.43032858      -0.41254537
O        1.45376057      -0.27659693       1.61951579       1.01203516      -2.22161333       1.91239656
O        0.35918636       1.56717778       1.44125040      -2.12643744       2.37962858      -2.78017051