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=9424.131006317813 pbc="F T T" Db 0.12041730 0.02553684 0.14894075 105 -2559.79558890 -19301.78097896 -13380.15192261 Db 1.44963901 1.25611361 -0.28771846 105 3900.52490675 26116.49791214 19351.75709729 Db 1.52748680 0.00459455 1.64343285 105 4396.62463565 -22820.30540128 -20599.48813576 Db -0.17971931 1.28999674 1.22859683 105 -5737.35395350 16005.58846809 14627.88296108