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=-11.907229068128744 stress="0.25393173416250986 -0.014198672597274394 0.03112494744757097 -0.014198672597274394 -0.0885008976112042 0.1272450124480069 0.03112494744757097 0.1272450124480069 0.1122595150310696" free_energy=-11.907229068128744 pbc="T F F" Be 2.70193606 0.05216866 0.29417082 -0.43508288 -0.18978062 1.86971043 O 1.70408111 1.51855009 0.03691384 0.85027308 2.18319520 0.14223010 O 1.20677130 0.15412561 1.72577322 0.15522888 -1.57061355 0.37708563 Be 0.14977756 1.59364432 1.77354104 -0.57041908 -0.42280103 -2.38902615