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:forces:R:3 energy=22.448895666348808 stress="-1.9450774543089868 0.15086313468448975 0.055844803706350185 0.15086313468448975 -5.058787421911221 -2.0346143247045445 0.055844803706350185 -2.0346143247045445 -4.870901985005933" pbc="F T T" Cd 0.00529310 -0.00015604 0.18749274 -16.03097777 -16.45240910 -31.93412473 Cd 1.73255766 1.66764137 0.17025527 17.77382560 -37.80519810 -40.13050765 Cd 1.64266363 -0.07588534 1.49794656 14.87110653 35.66185012 38.26636209 Cd 0.15772636 1.39308882 1.44460713 -16.61395436 18.59575708 33.79827029