32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=473.9522533034795 stress="-3102.024353053076 -98.15226072311708 131.13289181534185 -98.15226072311708 -3074.7026589272896 212.57014734494237 131.13289181534185 212.57014734494237 -3078.7317008357168" pbc="F F F" Cd -0.13936635 -0.21407233 0.29562001 -57.11191010 -8.26849973 -42.35953516 Cd 1.78187239 1.51001192 -0.01546661 -172.52168294 70.83813242 -150.95257971 Cd 1.60170120 -0.12206635 1.21904386 -103.82302859 -120.42566919 117.51762002 Cd 0.00082602 1.74624097 1.62576092 -72.96917252 -34.49000190 -19.33316357 Cd 2.85498893 0.11042859 0.20947124 85.36365387 -187.23845938 -242.06360378 Cd 4.35512851 1.55280714 -0.08666117 154.19137188 -97.41915770 -125.63970450 Cd 4.34655491 -0.12758765 1.32230844 125.33100069 -79.65916164 44.73994296 Cd 2.91049160 1.22286420 1.43858073 34.13194790 96.18469886 198.13044233 Cd -0.24794580 3.15488783 0.05988540 -44.89080156 -84.86447494 -104.38096853 Cd 1.20245745 4.66431082 -0.18574270 68.87577091 33.07480434 -48.55891600 Cd 1.48844065 2.89343380 1.57061585 31.39584518 52.64242975 -65.55058516 Cd -0.12633864 4.46097674 1.28219307 -56.57212628 91.55682308 96.55582997 Cd 3.21813893 2.76716069 0.19410236 -148.59472096 143.76815335 -126.92315505 Cd 4.33096497 4.38201197 -0.06699407 41.98196226 69.00133201 -32.87949274 Cd 4.22002482 2.77696427 1.41661558 135.17814174 68.81188661 170.39764454 Cd 2.96512192 4.72586561 1.79391194 -30.86078400 26.67669418 -66.00040581 Cd -0.01150132 0.02103145 2.62599452 -50.22830879 -59.71593080 35.42766170 Cd 1.68220204 1.39362841 3.23573857 -123.44681440 -21.61611438 -42.14869708 Cd 1.52724172 -0.22461850 4.20296332 -72.59833751 -81.31034253 118.70278238 Cd -0.15112699 1.72083292 4.28984966 -43.50868243 -74.49709709 76.48495543 Cd 2.98735431 -0.07700850 3.11703721 77.16021257 -92.36673769 -45.63260825 Cd 4.68107110 1.32825321 3.13102478 68.47667376 66.47902798 -125.28345411 Cd 4.59995250 0.26120756 4.51193751 63.44966255 -121.67052958 116.67083600 Cd 3.25226748 1.67643729 4.54396501 -31.49014250 -9.71726122 154.17573431 Cd 0.07236142 3.20379337 3.23854596 -194.27207193 -122.69752671 -134.50376842 Cd 1.26922180 4.28229695 3.02031036 137.51077225 222.87539670 -181.64926975 Cd 1.63714034 3.31610425 4.37970777 71.09999336 -124.45419147 248.92368378 Cd 0.27711528 4.37871118 4.25213077 -178.44883356 204.01404745 209.44145354 Cd 2.73125112 2.71824351 3.13616082 172.13558343 105.72370967 -103.02103371 Cd 4.26429260 4.62968218 3.21980528 95.46257300 40.51619448 -59.80473276 Cd 4.79977655 3.18543805 4.45460942 48.72097223 -23.33259099 46.31791624 Cd 3.07327937 4.69989723 4.62961200 -29.12871949 51.58041607 83.19917091