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=1.8064408511509458 stress="0.0794782181643077 -0.20461285584110545 0.002791064944098267 -0.20461285584110545 -0.003478465364042511 0.001302088607720527 0.002791064944098267 0.001302088607720527 -0.07408511307583035" free_energy=1.8064408511509458 pbc="F T F"
O        0.13616082      -0.23570740       0.12968218       0.72861333      -2.50558889      -0.60965319
O        1.71980528       1.79977655       0.18543805      -0.72679508       2.65333172      -0.70343812
O        1.45460942       0.07327937       1.69989723      -0.75089882       0.99747065       0.79036857
O        0.12961200       1.37425859       1.65720406       0.74908057      -1.14521348       0.52272274