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:Z:I:1:forces:R:3 energy=-6.76345131711 pbc="T F F" C 0.01843884 0.26946964 0.23171545 6 -2.58410776 -1.69037826 -1.23957196 C 1.68190327 1.32183498 0.26692752 6 2.61560159 6.26100099 -5.01905660 C 1.34046443 0.26652280 1.28220450 6 1.58909776 -7.90133880 5.02496383 C 0.28278197 1.46690034 1.51082363 6 -1.62059159 3.33071606 1.23366473