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=33.633016787686486 stress="-2.228656248681785 -0.07880085660647299 -0.324743304850968 -0.07880085660647299 -3.1959992966939743 0.17315884193225237 -0.324743304850968 0.17315884193225237 -1.8377627615689123" free_energy=33.633016787686486 pbc="F T F" Mg 0.13443557 0.06717778 0.22475079 -21.81348441 12.79552919 -23.63359254 Mg 1.27927999 1.95402251 0.28148913 25.01789679 -5.83405152 -15.65543078 Mg 1.55210001 2.81240728 1.76147517 20.14908837 5.12847791 20.51065624 Mg 0.00736779 1.50505582 1.23594820 -23.35350075 -12.08995559 18.77836708