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=2.310201692997752 stress="0.048090224684574016 -0.06837340111998397 0.24307532032302112 -0.06837340111998397 -0.42552201942463364 -0.012087031319408513 0.24307532032302112 -0.012087031319408513 0.045246507726460564" free_energy=2.310201692997752 pbc="T F T" O 0.24849743 0.25911890 0.19019325 8.13837800 -5.41637984 3.96516898 O 1.69877714 1.60881314 0.13250256 1.38633243 5.23467071 -0.42120719 O 1.60031152 0.05442580 1.08819366 -8.27593343 -2.63944953 -3.65110575 O 2.78011711 1.63572127 1.55791531 -1.24877700 2.82115866 0.10714396