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=-10.574878824437748 stress="-0.2645036967988272 0.12845947609806002 -0.00948938391214904 0.12845947609806002 -0.041532359892478936 0.16433596094084252 -0.00948938391214904 0.16433596094084252 -0.34640305451232767" free_energy=-10.574878824437748 pbc="T T F" O 2.96402316 2.52945650 0.12771106 -1.79897200 1.40519077 -3.15412938 Be 1.27521450 1.30705263 0.02805905 1.25828814 2.26893019 -4.27232536 O 1.50049285 0.14120549 1.21562917 1.16450686 -3.02853017 4.86684951 Be 2.97717101 1.43014094 1.54683757 -0.62382300 -0.64559079 2.55960523