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=2.6898820482741974 stress="-0.5594980646443796 -0.2289537399709019 0.052895857528045695 -0.2289537399709019 -0.41455771921010415 -0.4011765117414202 0.052895857528045695 -0.4011765117414202 -0.035975058731802005" free_energy=2.6898820482741974 pbc="T T T"
O       0.05332204       2.88436473       0.23110688       2.37542900      -4.88119366       6.41885156 
O       1.71552466       1.51283276       0.20071341       0.40957528      -3.20478023       2.36315150 
O       1.32858036       0.14720807       1.58942344       2.87931503       2.73385316       2.12043730 
O       2.95706424       1.77559981       1.21321713      -5.66431931       5.35212073     -10.90244036