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=4.827584107232409 stress="-0.10878759693591157 0.02788816563794833 -0.07650338348640366 0.02788816563794833 -0.1837816353555801 -0.006061864108232086 -0.07650338348640366 -0.006061864108232086 -0.17904808887918003" free_energy=4.827584107232409 pbc="F T T"
O        0.23110688      -0.00183978       0.01283276      -1.12065650       2.03708606      -2.20867192
O        1.70071341       1.32858036       0.14720807       1.31137233      -1.64038621      -0.84360501
O        1.58942344      -0.04293576       1.77559981       0.73425646       1.20424130       2.43962157
O        0.21736445       1.28604778       1.70384132      -0.92497229      -1.60094115       0.61265536