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=-2.4601766560423557 stress="-0.3232914378092058 -0.016458824259618594 0.009031054410650214 -0.016458824259618594 0.11755399113288419 -0.02880534397752614 0.009031054410650214 -0.02880534397752614 -0.014145887847291776" free_energy=-2.4601766560423557 pbc="F F T"
O       0.01400128       0.17230680       0.12659488      -3.25068828       1.16085485      -1.41242060 
O       1.54311643       1.24650446       0.13311255       3.46421100      -1.14016109      -0.95171205 
O       1.50743936       0.07094765       1.34738753       2.55099935       1.61471678       0.65463236 
O       0.15075815       1.26410200       1.46545771      -2.76452206      -1.63541054       1.70950029