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=-5.09920157155 stress="0.056109319653127106 -0.2433688327688238 0.020046922340654225 -0.2433688327688238 -0.1101506365674015 0.06615975197336459 0.020046922340654225 0.06615975197336459 0.04708417601539849" pbc="F F F" Be -0.12280496 -0.20130994 0.11041876 -0.49708354 -0.66872534 0.26473623 Be 1.26735611 1.09093160 -0.25851365 0.41944994 0.75198590 -0.05207563 Be 1.58611608 0.03369179 1.52598936 -0.47349629 0.15580129 -0.03833324 Be -0.27670350 1.46375436 1.40583543 0.55112988 -0.23906184 -0.17432737