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=-8.061509253215362 stress="-0.339956712801568 0.021488869200841264 -0.016873761680160207 0.021488869200841264 -0.3165209455017519 0.02189289321092105 -0.016873761680160207 0.02189289321092105 0.17920827350907018" free_energy=-8.061509253215362 pbc="F T F" O 0.04737131 0.03238783 0.24404962 -2.47061933 -4.03440701 1.56212995 O 1.36810690 1.62937675 0.09119645 3.21408396 2.79124044 1.92466884 Be 1.29640878 0.21456242 1.77913633 4.53101113 -3.99258587 -1.44560288 Be 0.18492541 1.33178173 1.38323780 -5.27447576 5.23575244 -2.04119591