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=37.73881007016499 stress="-3.5992481292451184 -0.023723047492497557 0.011399212975809692 -0.023723047492497557 -2.2915882545260744 0.12590468203656507 0.011399212975809692 0.12590468203656507 -3.5605547143427856" free_energy=37.73881007016499 pbc="T F T" Mg 0.03099333 0.19045800 0.07166715 -11.92266385 -21.47019184 -7.83945383 Mg 1.42588762 1.21223271 0.17379638 12.86810918 23.31581847 -8.94510082 Mg 1.40411058 0.03320948 1.44057204 7.36335789 -26.63403192 11.28332364 Mg 0.20040666 1.55646809 1.53502127 -8.30880322 24.78840529 5.50123102