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=9.270332469656204 stress="-0.4144180498805772 0.042200305817110255 -0.013611486636850705 0.042200305817110255 -0.371621388153805 -0.03626720514270155 -0.013611486636850705 -0.03626720514270155 -0.28070741518021064" free_energy=9.270332469656204 pbc="F T T" F 0.18543805 2.95460942 0.07327937 -4.17342775 0.30546914 -1.23750071 F 1.69989723 1.80050811 2.87425859 4.26728893 4.97963997 -0.93449430 F 1.65720406 2.76564846 1.38507600 3.48445835 -5.94889205 1.13199171 F 0.29768454 1.48273691 1.36065667 -3.57831953 0.66378294 1.04000330