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=51.1943562576 stress="-18.856493022423855 0.3376151103481374 -1.2867066411095047 0.3376151103481374 -17.884727149328274 0.38096774273124395 -1.2867066411095047 0.38096774273124395 -18.743259251663957" pbc="F F F" C -0.14801295 -0.02432459 0.06329927 -27.84227227 -19.70945894 -26.86207100 C 1.43745442 1.27846858 -0.00548572 19.15336413 24.53712278 -21.30080147 C 1.34126820 -0.15859300 1.31668137 26.52454667 -28.00358914 24.75554980 C -0.08013605 1.24396547 1.59073906 -17.83563853 23.17592530 23.40732268