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=-0.7534059449058851 stress="0.11754058792092412 -0.03190082432330259 0.026056899300330644 -0.03190082432330259 0.03235136365450779 0.013677779722737583 0.026056899300330644 0.013677779722737583 -0.13130553525786207" free_energy=-0.7534059449058851 pbc="T T T"
O       2.78353165       2.70072959       0.05035430      -2.11331610      -0.65458667       0.43289956 
O       1.42426161       1.29061752       0.24339277       0.86126847       0.92347376      -1.07366703 
O       1.21156333       2.91247317       1.65093924      -1.60894188       0.38173816       1.46450195 
O       0.14803915       1.26416454       1.64526935       2.86098950      -0.65062524      -0.82373449