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=4.184206889048221 stress="-0.13359292334316838 0.15833455193208393 0.0534175452222318 0.15833455193208393 -0.2709433562776707 0.07566225311490363 0.0534175452222318 0.07566225311490363 -0.32403795416136666" free_energy=4.184206889048221 pbc="F T T"
O        0.23010044       0.09566688       0.24894729      -1.10742611       5.36518274       2.02473641
O        1.62033173       1.67828948       0.16771629       1.55758213      -1.06366189      -0.01162586
O        1.29301824      -0.26758015       1.57255377       1.04789335      -2.91599391      -1.45631460
O        0.01129231       1.51258782       1.66911338      -1.49804937      -1.38552694      -0.55679596