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=292.6245476551779 pbc="F T F" Ds 0.20146212 -0.24233770 0.06311433 110 -1329.18957687 744.62599939 -409.34909366 Ds 1.70032860 1.79557412 0.04285415 110 1180.74426388 -1038.94122381 -468.63289907 Ds 1.45606995 -0.06284449 1.53156005 110 258.12658289 362.88373113 746.68773860 Ds -0.16604307 1.41676573 1.60386934 110 -109.68126990 -68.56850671 131.29425414