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=6.832661008703254 stress="-0.5499383899134872 -0.05075478300436048 -0.10867419315901765 -0.05075478300436048 -0.35154549201172347 -0.05180532746849127 -0.10867419315901765 -0.05180532746849127 -0.5977354681529573" free_energy=6.832661008703254 pbc="T T T"
O        0.01821382      -0.29424575      -0.03036777      -1.76087564      -3.74798423      -0.92455569
O        1.65586213       1.40395547      -0.16773400       1.89682113      -0.83570992      -0.30535211
O        1.23049600       0.12036030       1.45631248      -1.29768588       4.07723966      -0.30525138
O        0.24843919       1.64432661       1.45042817       1.16174038       0.50645450       1.53515919