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=-1.7987422616859465 stress="-0.4181442304858047 -0.1066441451522048 -0.14267892302577417 -0.1066441451522048 -0.09691553264640486 0.07124151592943044 -0.14267892302577417 0.07124151592943044 -0.237648765234682" free_energy=-1.7987422616859465 pbc="F T T"
O       0.08352372       2.84376228       2.76820562      -2.00938128      -1.04560582      -0.92335116 
O       1.45203735       1.76111147       0.22232616       4.50844977       0.70746270       4.60964066 
O       1.47927008       2.72147108       1.69736496       3.92147588       1.41164757      -1.68056047 
O       0.13856038       1.49965461       1.77820060      -6.42054436      -1.07350444      -2.00572903