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=-1.7995756670020637 stress="-0.35676009231015826 -0.05474790482763846 -0.05154541224259071 -0.05474790482763846 -0.20860026687281233 -0.02045171852968379 -0.05154541224259071 -0.02045171852968379 -0.23104723260016755" free_energy=-1.7995756670020637 pbc="T F F"
O       0.04396501       0.07236142       0.20379337      -0.34372490      -2.06624768      -2.47623443 
O       1.46979708       1.26922180       0.02031036      -0.90816375       1.07761167      -2.72959030 
O       1.68745344       0.02015752       1.37970777      -0.68435598      -2.24573574       2.19460817 
O       0.27711528       1.37871118       1.25213077       1.93624463       3.23437175       3.01121656