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=-6.72457563265076 stress="0.2412199144468702 -0.02481115687008807 -0.07721020693488977 -0.02481115687008807 0.23087772199841736 0.09819211776446948 -0.07721020693488977 0.09819211776446948 -0.3323002582896643" free_energy=-6.72457563265076 pbc="T T T" C 2.85540510 0.31374870 0.11044915 -0.16082393 1.34101364 0.77466695 C 1.70960170 1.31143450 2.83833517 -0.27960025 -2.52237036 -0.40848263 C 1.28829595 2.83509776 1.64041416 -3.50265332 -5.26126028 -0.45930259 C 2.77812781 1.51878885 1.39338581 3.94307749 6.44261700 0.09311827