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=9.15882120824943 stress="-16.231539546927806 -1.3646713112790572 0.9018058830696889 -1.3646713112790572 -13.424584636334496 -0.7819547151699764 0.9018058830696889 -0.7819547151699764 -16.557461672091954" pbc="F F F" Mg 0.04852473 0.05473499 -0.08438932 -5.78822679 -5.35706175 -6.60219360 Mg 1.63661615 1.40480033 -0.12280496 5.13962972 5.78861347 -4.28287245 Mg 1.29869006 0.11041876 1.26735611 5.60876128 -5.41234038 5.61748446 Mg -0.16466555 1.24148635 1.58611608 -4.96016422 4.98078866 5.26758159