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=-5.98761594251663 stress="-0.29187931166185416 0.11334241909995874 -0.028802695843669197 0.11334241909995874 -0.261621842750769 -0.04638702226642014 -0.028802695843669197 -0.04638702226642014 -0.2108946026272211" free_energy=-5.98761594251663 pbc="T F F" Be 2.84126820 0.09073906 0.27219963 -0.69239432 -2.54641625 -2.78773786 Be 1.43381326 1.63132919 0.25978669 0.83560463 0.74374679 -1.73948223 Be 1.22592512 0.18365717 1.70288723 3.75381826 -3.36771079 1.36984908 Be 0.08343331 1.29585403 1.44809454 -3.89702858 5.17038024 3.15737102