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=118.46835488005506 stress="-20.88834467201567 -1.4839029999331137 -3.208936358400238 -1.4839029999331137 -13.304510931041454 1.1647588026091007 -3.208936358400238 1.1647588026091007 -21.57917553904224" free_energy=118.46835488005506 pbc="T F T" W 0.24849743 0.25911890 0.19019325 -55.50181119 -108.68012569 -125.24023302 W 1.69877714 1.60881314 0.13250256 -106.32747993 128.11783885 -75.63448853 W 1.60031152 0.05442580 1.35431870 24.78955736 -134.73757429 130.20316442 W 2.78011711 1.63572127 1.55791531 137.03973377 115.29986113 70.67155714