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=1936.5722527277344 stress="-22.92248539834489 0.393732327224461 -0.1345932005462764 0.393732327224461 -24.078187918267307 0.21277578019547302 -0.1345932005462764 0.21277578019547302 -18.588468786330175" pbc="T T F" Cd 0.09891886 -0.13678795 0.08862205 -26.42661272 17.93256293 -65.78079900 Se 1.47083742 1.39013648 0.23222247 -33.43532814 -53.06851712 -119.53489334 Hg 1.42115725 0.09074991 1.50364537 15.52799499 -39.67708857 -12.32971829 Hg -0.11133660 1.30602228 1.51937637 24.82753010 43.12510272 -49.67001610 Cd 2.90303393 0.08924611 0.22394592 18.05572588 -25.35206201 -98.67931462 Hg 4.42596949 1.69664565 0.12286013 1.26102872 -16.38575890 -110.57237462 Hg 4.72969803 0.03968825 1.55644429 -50.42724824 -83.17055599 -73.04873624 Cd 3.02462237 1.75228033 1.22694551 2.30266549 -56.42405352 -20.00193185 Cd 0.28433163 2.84497594 0.03093840 -30.41455950 1.84887521 -101.54239804 Te 1.50203345 4.56299025 0.27525869 4.94379188 15.54151083 -114.46015057 Se 1.47414171 2.97496338 1.45609608 -71.19356163 31.22802313 43.46280520 Zn 0.16397541 4.21760569 1.78325419 -29.63878669 23.66301944 -21.59277712 Se 2.82964024 2.99966229 0.29740139 68.58739554 63.20410663 -164.14578162 S 4.79004027 4.29248699 0.06444632 19.46569821 23.40423209 -91.23290864 S 4.30758850 2.77579688 1.74909591 26.26445669 56.48482287 -55.59359347 S 3.25740131 4.70435836 1.43291616 -4.40456605 37.19514723 -19.07157961 Zn -0.19399834 0.30345926 3.11495049 45.54714296 -32.51340380 -51.92283576 Hg 1.30696545 1.58475841 3.03715739 41.06285213 -1.64415768 67.32619954 Zn 1.49969826 -0.11145640 4.46802959 22.63388430 19.02817153 63.98227199 S -0.23385046 1.25901721 4.23539311 59.41868967 62.80914403 150.78844633 Se 3.20020259 -0.15033272 3.10470978 -70.68546190 -23.95561641 18.69315320 Se 4.26898726 1.64700469 2.71709627 15.49110038 -5.17270917 39.48663893 Te 4.68333836 -0.00125862 4.74473802 -43.36423131 1.60579835 166.69691439 Cd 3.23393203 1.25453761 4.23044501 -73.13116709 0.42275085 105.32742254 Te -0.15048199 2.72645286 3.21901898 36.45545438 48.44523143 46.37118080 Te 1.28643470 4.60565368 3.13087587 28.03215134 -19.31188322 39.21698965 Cd 1.66716999 3.29720586 4.58885849 -14.07233487 -15.99071531 89.11529798 Zn -0.21514895 4.78408043 4.33007149 35.03854014 -48.17759919 67.79310491 Te 3.03254978 2.94890741 3.02706169 -23.45449238 8.41842539 60.04720100 Hg 4.37874550 4.77601316 3.28361164 21.84980312 -37.93347565 14.40047981 Zn 4.60845161 3.12185190 4.77052452 18.96336143 -5.00348640 89.72687653 S 3.26845020 4.06808478 4.73103060 -35.08091682 9.42415827 106.74482608