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=-12.051600708086383 stress="0.8032167652137384 0.07366389951697894 0.011819050456167665 0.07366389951697894 0.68394219936376 0.012678962639815786 0.011819050456167665 0.012678962639815786 0.9280911804449783" free_energy=-12.051600708086383 pbc="T F T" C 0.03848316 0.19178619 0.17895518 -4.04969076 7.22473664 8.19646491 C 1.79140871 1.61455359 0.09583508 8.37816002 -4.31060856 1.80312787 C 1.64904689 0.10609294 1.46603997 7.41996209 7.43827385 -6.90233758 C 2.80598025 1.32157598 1.51361598 -11.74843135 -10.35240193 -3.09725520