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=-6.127903762573445 stress="-0.282334572967967 -0.08243976946820288 -0.05927453634090721 -0.08243976946820288 -0.3456677475300568 0.013024831455541962 -0.05927453634090721 0.013024831455541962 -0.24537774043350588" free_energy=-6.127903762573445 pbc="F T F" Be 0.04852473 0.05473499 0.13661615 -3.78844685 -0.48768200 -3.16433139 Be 1.40480033 1.37719504 0.11041876 1.69535417 0.45316054 -2.35488034 Be 1.26735611 2.83533445 1.24148635 4.44023590 1.36294540 3.88304209 Be 0.08611608 1.53369179 1.52598936 -2.34714323 -1.32842393 1.63616965