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=-15.642577355939855 stress="0.3933782321713926 -0.478934577970335 -0.02942199441995796 -0.478934577970335 0.25690593126771893 -0.06010087281592401 -0.02942199441995796 -0.06010087281592401 1.0139034566859229" free_energy=-15.642577355939855 pbc="F T T" C 0.20288723 0.08343331 2.79585403 6.02943487 -7.07813877 -3.56014641 C 1.51019454 1.72094491 0.23171545 -3.52088891 14.59271086 -2.86477095 C 1.68190327 2.82183498 1.71219253 -4.13587361 -4.01177910 2.92580723 C 0.26353524 1.28220450 1.78278197 1.62732765 -3.50279299 3.49911013