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=53.42709434996954 stress="-5.867278186393299 0.28491802813557404 0.033518632507541425 0.28491802813557404 -4.6330667040792575 -0.04436292603555859 0.033518632507541425 -0.04436292603555859 -4.333583217647899" pbc="T F F" Mg -0.14801295 0.06329927 0.09073906 27.34871654 -56.34282428 -41.49429234 Mg 1.77219963 1.43381326 0.13132919 -32.81841260 48.65638323 -38.31591315 Mg 1.75978669 0.18365717 1.70288723 -27.46241053 -43.99813483 40.15490103 Mg 0.08343331 1.29585403 1.44809454 32.93210659 51.68457588 39.65530446