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=-14.31944150119267 stress="-0.355885730107445 0.0016841927708246282 0.023472201962213963 0.0016841927708246282 -0.04336304567042333 0.036166526267455694 0.023472201962213963 0.036166526267455694 -0.2812500684622384" free_energy=-14.31944150119267 pbc="T T F" C 0.35559622 0.06504129 0.22277084 1.27176586 0.56875266 -3.17145494 C 1.68584377 1.64137469 0.19581920 -1.01751665 0.22545182 -2.40091107 C 1.56537167 0.22748741 1.67626233 -1.83751941 0.20448403 2.47589255 C 2.85402479 1.70996341 1.49207130 1.58327020 -0.99868851 3.09647347