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=219.80782054889912 stress="-14.384067696522953 -0.427840921395435 -3.6986685838933644 -0.427840921395435 -14.563764486421906 2.971478398256368 -3.6986685838933644 2.971478398256368 -20.165933326567444" free_energy=219.80782054889912 pbc="F F T" P 0.24122900 0.02201293 2.81634348 -102.59295578 -191.17305987 76.62487830 P 1.42534241 1.48566276 2.81443107 164.99413399 142.48596433 77.18871468 P 1.54376171 0.19273990 1.32006208 121.62349087 -99.31243337 -13.71325423 P 0.05332204 1.38436473 1.73110688 -184.02466908 147.99952891 -140.10033875