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=0.6742359524132538 stress="-0.07650215280749743 -0.23663153000554807 -0.011067178662679256 -0.23663153000554807 0.29774742541266164 -0.060033563767019085 -0.011067178662679256 -0.060033563767019085 -0.17415974136458426" free_energy=0.6742359524132538 pbc="T F F"
O       2.67661097       0.23110688       0.01283276      -5.39855930       5.99277650      -2.28166521 
O       1.70071341       1.32858036       0.14720807       5.81195902      -7.98112585      -0.77709318 
O       1.58942344       0.27559981       1.21321713      -0.44207454       1.36345306       0.74527715 
O       0.21777470       1.28604778       1.70384132       0.02867483       0.62489629       2.31348124