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=2.2711894135689845 stress="-0.2846794995042378 -0.07034567673303349 -0.037625493345116195 -0.07034567673303349 0.014027044261911863 0.4015509487666916 -0.037625493345116195 0.4015509487666916 -0.06481818973405246" free_energy=2.2711894135689845 pbc="F F T"
O        0.09119645       0.21456242       0.27913633      -3.86250473       4.64600776       6.82146786
O        1.35263676       1.68492541       0.06391041       3.17397287       4.46631824      -1.27336172
O        1.38323780       0.12263099       1.54530481       2.90991693      -2.71861703       2.23882030
O        0.12593290       1.34000708       1.39901191      -2.22138507      -6.39370897      -7.78692644