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=7.67157127896865 stress="-0.49922067276314436 0.0009146752234780063 0.15285509977367823 0.0009146752234780063 -1.0523363919896456 0.061604838492803925 0.15285509977367823 0.061604838492803925 -1.4098260261972002" free_energy=7.67157127896865 pbc="F F T"
O        0.59363127       0.32800071      -0.02988876     -10.44364543     -17.01240779       4.51482390
O        1.19263172       1.21755886      -0.14458569       9.72080739      18.18577587      -3.63577971
O        1.39917148       0.26235339       1.20525295       6.67171505      -9.56007961      -1.92280017
O        0.21005355       1.71211731       1.42633103      -5.94887701       8.38671153       1.04375598