64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=385.4593441110139 stress="-0.003884401727709396 -0.0006995650994194967 -0.0004221504279865371 -0.0006995650994194967 -0.00343719230392428 -0.000214873446481055 -0.0004221504279865371 -0.000214873446481055 -0.003901755876724758" pbc="F F F" Hg 35.22759592 34.80679533 35.52473959 -2.13254398 -3.41314369 -0.08423256 Cd 36.36313495 36.50477881 35.36236159 -17.84160054 -33.87344389 3.27052831 Zn 37.08110800 37.73320156 35.18860709 19.14965706 30.30101768 -11.55373050 Zn 38.73600740 38.47629225 36.71579280 4.24697238 7.08221427 -4.05384010 Zn 38.03922248 35.04334086 37.39813829 -3.20031978 -8.71696926 -11.12981115 Se 37.78753740 35.80630448 39.08857672 -2.10639222 -7.39516784 -1.29850518 Zn 34.98890408 37.55937940 37.37465916 -11.43825089 -10.52363077 -0.83166536 S 36.27110496 38.59402019 38.48976472 -25.60086139 6.10857195 3.83607156 Zn 39.23803283 35.66288941 35.26273604 -0.82723747 -2.78554365 -6.68232553 Cd 41.53726157 36.48265087 36.29298544 -27.08527580 -30.26785626 13.50988443 Cd 42.41574856 37.47648465 35.28925221 14.95691687 27.12273818 -40.56963766 Te 43.96294069 37.84224032 36.53019188 22.64960676 10.16217372 1.13609716 S 42.33777289 35.44554326 37.92442180 -63.15118458 -51.19443835 -45.22437919 Hg 43.42115755 35.89144912 38.69256189 86.85005842 -13.62574875 18.95245919 Zn 39.69624907 36.76283783 37.29674211 0.64224438 1.14241729 5.37149567 Te 41.26732056 38.60338697 38.82264826 -19.05593627 -17.40183583 -2.89753466 Te 34.73412061 39.51020660 35.65332094 -8.42804273 2.04258374 -7.94115849 Zn 36.04538368 41.69795637 36.12634583 16.42482128 -10.86035209 -25.36537352 Se 38.15058104 42.89594324 35.25300109 -21.29081644 -1.48444415 -19.93361986 Hg 39.51234721 43.27309503 36.40059275 6.99215058 42.32532152 -20.90547076 Se 37.00052248 39.57567384 37.35749811 15.50249116 20.70907912 -12.82704631 Zn 39.13582335 41.12215052 38.91980071 -16.75668033 -13.95533439 -6.14903548 S 35.29592627 42.36778219 37.33048733 -17.46293851 16.55387013 26.05355464 Hg 36.45168115 43.94853371 38.96482075 -10.20932895 14.44778013 -14.80679201 Hg 40.09243474 40.34448915 35.48676028 -42.98383841 -20.38691589 -22.26068139 Hg 41.71375670 40.89908740 36.14425538 14.64570466 -19.18169932 37.06992044 Cd 42.42272250 41.66568415 35.44797308 29.14854295 21.73470850 -34.75889679 Te 42.93729524 43.60720135 36.21088446 3.72422237 13.31953587 4.37722173 Cd 42.09313923 39.97918421 37.90097900 15.21094280 11.29389249 -12.71995938 Hg 43.71935454 40.78595589 38.97885646 6.80588374 7.20030106 -0.02712892 Se 39.63444372 42.16981896 37.50318173 12.51430216 -22.52218640 22.73884000 Zn 40.96299503 43.34016991 38.97938361 3.04251258 7.40645703 2.57423801 Se 35.12235659 34.86788060 39.79559973 -4.12363625 -2.41292136 -0.64165829 S 36.54791251 36.11971915 41.40304581 -9.30641731 -20.30782027 8.50304220 S 37.61888936 37.85543725 39.86017894 11.66909126 -8.09245233 -16.30595247 Cd 38.38118921 37.89024308 41.25203572 19.00628661 13.17743873 21.94413445 Zn 38.28773722 34.67964207 42.54461182 -3.09893092 -5.51117597 -0.38656665 Hg 38.91164118 36.60925154 43.43306734 -20.00245821 -6.40109508 18.59111791 Se 35.66064672 37.46176276 42.39333339 -15.36383914 1.15202241 7.33341279 S 36.26085386 38.88507882 43.84544263 -10.80762072 -8.36950547 14.46581549 Se 39.97907476 34.70111879 39.94638166 3.99331216 -7.50615104 -0.88294715 Cd 41.52093601 36.25986506 41.26365900 -9.42337514 0.42831800 -41.49749575 S 42.82300871 37.07337879 39.52734988 -11.63409210 39.91919217 37.83745170 Te 43.45015761 39.06534330 40.96789850 54.70845677 -22.35887744 -37.71739348 Te 42.47291734 35.49680168 42.48589710 -14.28246463 -53.15848299 -10.20552895 Se 43.46433761 36.14472392 43.36966142 53.76973189 27.55080375 45.26330446 Se 40.38291827 36.72386447 42.46197860 -9.67822984 11.23183121 5.68063331 Se 40.80284415 38.97622090 43.38774680 2.51661411 8.06365104 16.22922644 Hg 35.35338424 40.49915891 39.87759276 -16.68062029 -15.70517790 -11.49112577 Hg 36.49004651 41.88207108 41.03871608 -25.93360284 -13.93409050 31.00948697 Te 37.58439445 42.49398446 39.95732391 -11.35749527 2.25424540 -58.19409372 Se 38.58033106 43.28961423 40.88560287 28.21053222 47.74801693 26.55690752 S 37.44361176 40.20257521 42.35278661 -42.83134932 -29.17657789 -45.54153126 Te 38.28864209 40.80547457 43.32052888 39.88131523 26.39305252 70.17208354 S 34.74150498 42.57478466 42.04700486 -14.34186320 -1.02622746 0.10295259 Cd 35.95646380 43.66769721 42.97849034 4.51158486 9.90705219 10.54363938 Te 39.98496324 40.07879682 40.66624347 -43.75569224 -76.99750215 -14.92763401 Cd 40.81244810 41.22589339 40.85605356 61.72921239 70.85841090 11.92362620 S 42.98644200 43.34814250 39.94005519 -2.81632065 -5.00041327 -11.44650646 Hg 44.05120710 43.86049598 41.40023483 6.86160255 4.01092895 11.51247457 Cd 42.55811738 39.57661946 42.08922879 -27.18954890 17.65990437 46.56733971 Cd 43.62636708 40.86586082 43.65897578 4.55955587 7.62772987 8.05873665 S 39.51080163 42.32941829 42.25510502 16.08275878 15.38465890 18.42641763 Te 41.18861698 43.67236892 43.52757212 2.19172042 1.22726164 1.64714413