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=3.2754105967195204 stress="-1.8979959805618891 -0.08117254804747633 0.45875571513145963 -0.08117254804747633 -1.4510571909829895 -0.049870590180489616 0.45875571513145963 -0.049870590180489616 -2.3403944054917694" free_energy=3.2754105967195204 pbc="F T T" C 0.22094491 0.23171545 0.18190327 -16.31605808 3.80466026 11.76906014 C 1.32183498 1.71219253 2.92485375 8.98344253 2.07923891 -3.23386770 C 1.62990665 2.78220450 1.78278197 27.12124057 -0.65823290 -6.49445153 C 0.06210000 1.63362859 1.39737371 -19.78862501 -5.22566626 -2.04074092