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=-11.427672907956824 stress="0.30592042448795664 -0.22981099751794004 -0.1624152795040979 -0.22981099751794004 1.0107882594932511 0.012664270059652047 -0.1624152795040979 0.012664270059652047 0.9648263159450392" free_energy=-11.427672907956824 pbc="F T T" C 0.21219253 -0.07514625 0.26652280 6.43406185 -2.35300246 0.64887308 C 1.28220450 1.78278197 0.17251877 -8.84466754 7.85316932 -0.24690283 C 1.63362859 -0.17297059 1.57034430 1.00850578 -1.95462766 2.89167953 C 0.04852473 1.55473499 1.41561068 1.40209991 -3.54553920 -3.29364978