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=9.15882120991449 stress="-16.231541939723144 -1.3646712037769688 0.9018052591123471 -1.3646712037769688 -13.424586433923134 -0.7819546703994105 0.9018052591123471 -0.7819546703994105 -16.557464192048165" pbc="F F F" Mg 0.04852473 0.05473499 -0.08438932 -5.78822784 -5.35706231 -6.60219482 Mg 1.63661615 1.40480033 -0.12280496 5.13963015 5.78861421 -4.28287296 Mg 1.29869006 0.11041876 1.26735611 5.60876254 -5.41234128 5.61748570 Mg -0.16466555 1.24148635 1.58611608 -4.96016485 4.98078938 5.26758208