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=-8.832324267256459 stress="-0.037621516239826146 0.020367347143564824 0.019135798483788387 0.020367347143564824 -0.6457056145088391 0.11349370620604426 0.019135798483788387 0.11349370620604426 -0.6867700983156662" free_energy=-8.832324267256459 pbc="F T T" O 0.11893942 2.72956938 2.64339620 -2.68391293 -0.52528454 -1.30038932 Be 1.53926819 1.73010044 0.09566688 0.33647025 -0.77871808 -0.46656217 Be 1.62528982 0.12033173 1.67828948 0.22627431 0.30774756 -0.01282395 O 0.21182891 1.29301824 1.23241985 2.12116837 0.99625506 1.77977543