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=900523.0634383492 pbc="T T T" Ds -0.02346116 -0.02512079 -0.20757363 110 -3054206.19622366 457516.15556355 -3314003.72882696 Ds 0.94561218 0.75844167 0.28808911 110 3487194.31557473 2377311.83053669 -1612006.83501463 Ds 0.64978167 -0.19353919 0.46233438 110 2734994.99052702 -3515068.07756305 3211793.94852681 Ds 0.04313653 0.69749701 0.69088834 110 -3167983.10987809 680240.09146282 1714216.61531479