64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=314.9441365030941 stress="-1028.7151124415657 -58.89859323733788 142.52202160902834 -58.89859323733788 -989.4566073902282 -169.3628931279771 142.52202160902834 -169.3628931279771 -1030.773783205428" pbc="F F F" S -0.16790654 0.09209057 -0.18016088 0.24461868 0.13438960 0.18246639 Cd 1.29464083 1.26274485 1.60173499 -7.32202048 3.32709820 -6.42471375 Se 3.23538368 2.19222342 0.57078512 -1.09687907 -4.96314086 -12.13392480 S 3.73273082 4.19433972 1.15699807 34.74793862 -17.73191277 -27.10125855 Te 2.56025093 -0.20264446 2.41799114 4.44038806 -11.31802375 4.48160355 Se 3.96880363 1.49871770 3.91472004 81.64792369 -50.64998130 -77.34660957 Hg -0.02872237 2.59259184 2.42018164 -2.04344644 1.11484349 1.42388458 Cd 1.88159288 3.94294357 4.22160297 -8.06401575 5.47132464 -18.62641889 Te 5.25958667 -0.34922335 -0.06848498 -4.12478745 -4.76898359 -2.50763442 Zn 6.43577315 1.63620823 1.22647592 -28.75994891 -19.65467124 22.91180295 Cd 7.02610692 2.31643753 0.13021408 12.29069370 23.45665310 -46.82218692 S 8.38306989 2.86291395 1.50750147 14.94191948 17.53366160 -2.53508881 Zn 7.47005670 0.15697201 2.22293636 3.10826251 -17.82961894 10.63486687 Se 8.87017316 1.79512637 3.02521664 9.26115551 -4.32767552 14.71100434 Hg 5.17537642 2.47287704 2.27972356 -2.71134630 3.51418840 3.54602744 Hg 6.58565752 4.07104914 3.85297349 -3.95966850 -2.52628330 4.57309922 Se 0.17946945 4.71127628 0.74523639 -2.64202346 -1.51040354 -1.47794672 Zn 1.67504397 6.72128440 0.81015620 -30.70648677 -11.04292124 26.70544270 S 2.74148119 7.14591442 -0.18479748 18.27827422 -6.00491309 -36.98820564 S 3.70749091 8.86755263 0.59425388 12.71930702 20.95191450 7.90489638 Hg 2.61441773 4.78285790 1.97107628 -40.83481180 21.02137275 30.86224598 Hg 4.17295379 6.50473154 3.33924117 -32.99308324 -15.64644407 26.13374025 Hg -0.28828318 7.42602863 2.63466602 -1.52698760 -0.96327507 -0.75714814 Te 1.33576479 9.01551356 3.75461953 -6.76477929 10.31693513 -10.94861741 Zn 5.29916441 5.43231288 0.24943859 -5.20420334 -10.29934958 -18.28987124 Se 6.19165830 6.45892264 1.74012500 63.12508813 -69.72640282 -73.34131588 Cd 7.49311052 7.78768354 0.02846939 -8.75732300 -16.33052658 -26.76268050 Te 8.33438035 8.97445368 0.89583432 21.24740404 27.41365205 15.04779407 Se 7.91578330 5.33920419 2.31787807 27.01331749 -20.40954586 3.08458624 Te 9.21270083 5.65947366 4.03608143 6.82830320 2.78933228 5.33703153 Te 5.42807233 7.28202069 2.39207612 -75.27190894 61.86769152 36.48618662 Te 5.80695119 8.97773881 3.26866056 12.56550900 54.17955000 26.41609408 Se 0.48189100 0.27422453 4.70142794 -10.36121986 -10.26270860 -7.80413458 Se 1.47157882 1.72829811 6.42740285 -24.34010637 -18.90030276 31.55072461 Se 2.88691610 2.08577464 5.01281715 -45.26400171 45.10601086 52.73201589 S 3.91601018 4.22517027 6.03395400 -7.86420475 -43.23664311 37.06220439 Hg 2.87532015 0.06257360 7.91171846 -12.85339184 -17.86391761 -19.92609903 Te 3.61858819 1.06406310 9.10522713 12.59541994 16.46680543 21.33793223 Hg 0.10757459 3.10440820 7.53724137 -13.26424024 -1.26341809 1.57365698 Se 2.01914387 3.71027733 8.30984894 -0.03280066 -7.01822438 25.30479481 S 5.58404123 -0.05558406 4.23091307 3.43429369 -2.31721795 1.11646665 Te 6.70958260 1.67380311 6.54779961 -5.18154347 -27.89905363 -4.68463700 Zn 7.31639237 2.74564533 5.30272670 12.96036909 13.07228657 -21.20195865 Se 9.09949599 3.72673077 6.49464982 6.91584095 0.24665046 -3.67843191 S 8.08407104 0.20272927 7.41982058 -0.27567560 -18.07579260 -19.20034208 Cd 8.39444532 1.01038470 8.79681753 9.49878807 11.09446961 26.34567244 Zn 5.45124427 2.51051561 7.61212673 -25.40100848 -1.39797635 3.47739406 Te 6.23121437 3.90725864 8.68450311 -0.79220774 7.12980309 21.91937835 Zn 0.26631369 4.87616698 4.91007341 -9.40647349 0.77014298 -2.76797561 Hg 1.07842446 5.80176848 6.30080455 -5.62391819 10.98672175 -1.55930599 S 2.04130546 7.87420364 5.03301879 6.57749621 -9.68245207 10.12976679 Cd 4.06703276 8.94209490 6.00036787 -2.91462241 6.03079995 -5.26265617 Cd 2.71712382 4.92669245 7.01931982 -7.41475873 24.65643700 16.66752703 Zn 3.11800624 6.71345730 8.33357494 2.03372004 3.77779452 3.97682463 Cd -0.11740451 7.37420154 7.79483573 -2.84147116 -2.65163659 -0.61246641 Hg 0.91569895 8.95057899 8.26108637 2.22506866 2.95021723 0.90641975 Zn 4.60522068 4.86736232 5.00882184 41.20534447 35.49940360 -53.23670815 Cd 6.24973994 6.17934907 6.63759609 -19.77781063 -3.65327618 -25.09285407 Cd 7.37535401 7.30148303 5.23777271 11.02136703 10.77804244 -14.65247978 Hg 9.11438617 8.86319767 5.84129893 0.45706156 0.46892852 0.30862679 S 7.39182765 5.26287726 7.32181471 -12.88826621 -43.82500436 -21.46656502 S 8.65767855 5.87706952 8.46496829 51.95252992 25.58996212 45.33469878 Cd 5.38755778 7.66370859 7.36666132 -37.01148302 2.07208273 -2.63867331 Zn 6.27749897 8.48214422 8.17857150 22.95552194 23.96253129 25.66203165