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=-10.187458443553025 stress="-0.17638650147737753 0.09529460283913552 -0.020255267542416047 0.09529460283913552 -0.325677307413399 0.004242737661987586 -0.020255267542416047 0.004242737661987586 -0.30901741214973494" free_energy=-10.187458443553025 pbc="T T T" Be 2.85540510 0.11115480 0.11044915 4.05793484 -5.12255431 -2.03239072 Be 1.70960170 1.31143450 2.83833517 -6.74897315 0.04628037 2.25306420 Be 1.49088986 2.54375720 1.64041416 -3.54518667 5.51191823 -2.69609082 Be 2.77812781 1.38429096 1.32834452 6.23622498 -0.43564430 2.47541734