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=-14.681651673844762 stress="-0.6648213638952275 0.18372814884240732 -0.0013883483126158561 0.18372814884240732 -0.9383319118697279 -0.07704258346668902 -0.0013883483126158561 -0.07704258346668902 -1.0867236979269903" free_energy=-14.681651673844762 pbc="T T T" C 2.85540510 0.11115480 0.11044915 2.67750651 -1.31499536 3.15622124 C 1.58639575 1.31143450 2.83833517 1.53754690 1.53730659 -4.17991698 C 1.28829595 2.83509776 1.64041416 -1.05955949 -2.76272964 4.45157333 C 2.73707601 1.51878885 1.32834452 -3.15549392 2.54041841 -3.42787759