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=-10.074406059793915 stress="-0.0886774315397843 -3.5103974500404753 0.046744158795490695 -3.5103974500404753 -1.886824881467305 -0.41987401584425016 0.046744158795490695 -0.41987401584425016 -1.5136736567889713" free_energy=-10.074406059793915 pbc="T F F" C 0.14904689 0.10609294 0.01361598 -44.13636190 -21.19124232 -12.38221641 C 1.35198705 1.47567541 0.06329927 42.68378281 11.83988562 -14.14831303 C 1.43745442 0.09073906 1.77219963 -25.96372509 -16.95459508 3.05410542 C 2.65973838 1.41637653 1.55564072 27.41630417 26.30595178 23.47642402