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=625.4229961160462 pbc="T T F" Rg 0.04137625 -0.27900488 0.10755775 111 -309.90517301 32.63418281 -340.61635880 Rg 1.35883431 1.25420331 0.19720228 111 828.51579575 987.82557250 -1922.81254379 Rg 1.28047913 0.15215541 1.39409398 111 1577.62011840 -2649.02698614 1303.47279962 Rg 0.24609838 1.35832550 1.46037099 111 -2096.23074113 1628.56723083 959.95610297