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=-14.692300100144555 stress="0.3138689897640856 0.19709281105147175 -0.4660304714199681 0.19709281105147175 1.705321603557655 -0.0014415307565443616 -0.4660304714199681 -0.0014415307565443616 1.3002296443522547" pbc="F T T" C 0.22094491 0.23171545 0.18190327 2.20815104 16.89739189 12.53502328 C 1.32183498 1.71219253 -0.07514625 -3.05791945 9.18251779 -8.37689605 C 1.62990665 -0.21779550 1.78278197 -3.17197799 -12.48438982 13.48659094 C 0.06210000 1.63362859 1.32702941 4.02174640 -13.59551986 -17.64471817