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=-9.693656301950424 stress="-0.14925782178086416 0.024439473484024466 0.032454057342560544 0.024439473484024466 -0.12790908487187136 -0.02755550596178941 0.032454057342560544 -0.02755550596178941 -0.17396937781893537" free_energy=-9.693656301950424 pbc="T F T" Be 0.17895518 0.29140871 0.11455359 -3.79340206 -2.00514749 -4.14745169 Be 1.53253581 1.64904689 2.78091226 0.37209648 0.99071071 0.86669821 Be 1.38456152 0.01361598 1.35198705 3.55980124 -0.52802164 2.97184804 Be 2.97567541 1.56329927 1.43196870 -0.13849565 1.54245841 0.30890544