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=4.6499866201209885 stress="-0.3206624802832927 0.12709814039085765 0.03871404158727395 0.12709814039085765 -0.3248953444726068 -0.05254541025326336 0.03871404158727395 -0.05254541025326336 -0.5205970154432732" free_energy=4.6499866201209885 pbc="T T T" N -0.19277068 -0.23827333 0.05332204 -1.80573835 1.36685863 -1.54436339 N 1.38436473 1.73110688 -0.00183978 3.43305059 -1.03224369 -2.07327749 N 1.51283276 0.20071341 1.32858036 -0.62158058 1.38106745 2.68854454 N 0.14720807 1.58942344 1.45706424 -1.00573166 -1.71568239 0.92909635