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=-9.193822297416421 stress="0.369867710558506 0.07356067290003651 -0.11143381058471108 0.07356067290003651 0.35206775929159995 -0.03335771516816006 -0.11143381058471108 -0.03335771516816006 0.2443660205601734" free_energy=-9.193822297416421 pbc="T F F" B 2.50683738 0.10609294 0.01361598 2.06881363 3.09885067 0.56552606 B 1.35198705 1.47567541 0.06329927 -3.90556276 -3.69506898 3.29624459 B 1.62111159 0.09073906 1.77219963 -0.36438996 3.47561782 -1.47754561 B 2.72966729 1.63132919 1.75978669 2.20113909 -2.87939951 -2.38422504