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=3253.20074646084 pbc="T T T" S 0.19989723 0.12961200 -0.12574141 16 -4012.13041704 -4515.99218715 -3055.64913339 S 0.90720406 0.51564846 -0.11492400 16 4634.62549766 2924.85552997 -2746.41780133 S 1.04768454 -0.01726309 0.61065667 16 1313.24871297 -1799.21557630 2289.57751976 S 0.17089611 0.72011124 0.45220318 16 -1935.74379359 3390.35223348 3512.48941495