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=-50.522664829801194 stress="3.1757316361977215 0.11873343852066255 0.052255258693340585 0.11873343852066255 3.2369475061735375 -0.2524260152810857 0.052255258693340585 -0.2524260152810857 3.121626749879558" pbc="T T T" C 0.20501529 0.20408018 0.06358344 7.92586585 4.20576616 -1.27810997 C 1.25965477 1.46273438 -0.18816971 -8.62357158 0.67536050 -2.10880471 C 1.62708395 -0.29498294 1.30180903 -3.85768618 -7.22245168 -1.14931170 C 0.11441703 1.57245711 1.71075788 4.55539191 2.34132501 4.53622638