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=479.9079965186289 stress="-0.004392063516795339 -0.0001529619833851668 -0.00034429633412066317 -0.0001529619833851668 -0.0047153353258724785 -4.7464688757628423e-05 -0.00034429633412066317 -4.7464688757628423e-05 -0.0044428726174255235" pbc="F F F" Te 35.45473000 35.22043528 34.89809534 -7.62889247 -6.83589611 -11.76310206 Te 36.68184381 36.44876640 36.74852317 16.25873552 -4.88963794 -4.86467543 Te 37.41689148 37.61785827 35.13254407 -1.43855481 4.62497827 -24.30674749 Te 38.49851459 38.92274801 36.68169871 7.16543017 -12.74983747 -13.22644800 Te 36.90430149 34.57223592 36.77958055 6.43648113 -28.03859579 4.67022480 Cd 38.96381915 35.67626808 38.87266241 -8.62030133 -6.84841816 -2.50850848 Cd 35.32388855 37.15186526 37.28988013 -37.75385998 10.97914727 13.53901809 Te 35.46787259 38.93186856 38.52479350 -7.40889163 -0.60739593 3.55654782 Cd 40.28207782 35.27062232 35.32242359 -2.44870877 -12.71462579 -6.30415567 Cd 40.52029376 37.02973463 36.11962937 8.28801706 3.85348055 -1.28384539 Te 42.58131751 37.97926093 35.34150642 -2.59076302 -2.96581240 -7.55105559 Cd 44.14694032 38.83304042 36.23815262 10.70930148 1.03487662 -0.13347815 Te 42.74033838 34.63562885 37.25496969 0.86317535 -1.17232318 -0.98798907 Cd 43.62988405 36.17326588 39.44100531 16.32542326 -18.52066935 -14.28495206 Cd 39.31123777 37.94775631 38.21243679 8.15805902 -4.11265907 8.16627436 Cd 41.73922337 39.04292364 39.25295730 -8.76953989 -13.37836914 -17.70971858 Te 34.69555410 40.10664868 34.96282683 -4.64158389 -5.09048272 -4.62433258 Te 36.74569653 41.45831464 36.49170572 -3.01115100 9.07692097 -31.20666473 Cd 36.96632073 42.73077174 34.92478538 3.57793462 12.76062515 -17.93595348 Te 39.50970402 43.77521663 36.08588962 -3.02911174 13.39572080 -9.34653345 Te 37.58281451 40.39786233 37.60377948 -15.26537090 -34.30618267 15.11622918 Cd 38.30415239 41.68399638 38.31341300 13.90075399 22.40416823 18.99718537 Te 35.12876493 41.92418221 37.06062143 -37.81111068 8.37030627 4.81886334 Te 35.68407860 44.18093219 38.05854263 -3.10182410 8.25609787 3.51750860 Te 39.53680825 40.13156261 35.14050205 6.02391053 -0.69661275 -23.59138484 Cd 40.75062894 41.44292379 36.59140490 8.53399540 -2.52290748 -29.18038127 Cd 41.92598296 42.02318804 34.66318153 6.38966453 4.05541174 -9.43385809 Cd 44.04953949 43.82408284 36.44763756 0.09493664 0.16961771 -0.28066231 Cd 42.37501571 40.19965423 37.63196207 7.84634604 -10.35950774 -27.95390957 Cd 43.28286236 40.77734961 39.03658767 40.79074364 10.81520286 2.56317663 Te 40.31833345 42.53776017 38.12400641 -13.82304600 12.53506140 -6.40114481 Cd 41.58108167 43.59508615 38.86457661 -25.80021455 88.26981071 -64.70550344 Cd 35.13173245 35.42219071 40.28024298 -8.08536053 -3.43518841 -7.54727034 Cd 36.51162095 35.77705742 42.08649577 -24.57841701 8.79188678 -0.02797093 Te 37.96819152 36.99932755 40.20774368 -4.43315688 5.25140831 -3.99402918 Cd 38.14784946 39.18037883 41.54370786 5.78449151 -28.98799371 -20.31852275 Cd 37.64186787 34.58062665 42.25214720 18.54096979 -31.87604076 4.44240105 Cd 38.98591902 36.41819221 43.93090577 -36.60634720 -36.95834679 67.91125405 Cd 34.57401960 37.81418994 41.72519485 -11.47794269 -0.41197278 3.12233512 Te 36.59420123 38.05030121 43.26194530 -8.79362348 2.76764264 14.36252817 Te 40.59263668 34.68270701 39.12416039 9.49085734 -15.09174464 0.85984973 Te 41.37274156 36.60535711 40.82998548 -24.18855600 -31.08302675 3.00819144 Te 42.80765239 37.68260870 40.45718749 -43.32061265 -63.23831072 -41.19934909 Te 43.69452641 38.54637803 40.98287224 96.98717588 61.91262641 38.41844271 Cd 41.65748505 34.86774234 42.77033155 2.10735376 -10.78797815 2.56716756 Cd 43.72524708 36.35458847 42.97489639 10.06455446 -7.62626172 13.35022888 Cd 39.68401673 37.03058845 42.92749086 42.45113885 32.95829734 -49.85079819 Te 41.34201500 38.47458265 43.52006853 -2.36799677 2.94037170 22.28759027 Te 34.66375227 40.27276531 40.44650282 -33.68579066 -11.60962944 -9.49278755 Cd 36.13364405 40.74754267 41.03308263 11.69322083 9.42115237 8.77900520 Cd 37.31433526 42.32422608 39.88205662 -7.75687992 22.11525203 7.27110899 Te 39.11822078 43.38264827 41.28283765 -14.11370159 37.46060653 -40.12931737 Cd 37.96044858 40.50365878 42.46786518 -26.81774633 2.61859474 22.42077154 Cd 39.24237490 41.42369928 43.29508350 4.97052849 -31.07001151 45.14586165 Te 34.87185671 42.57924462 41.70085292 -7.50536238 9.13865434 4.67826877 Te 36.40603090 43.95388514 43.47536469 -1.28577041 2.01453767 1.89969735 Te 40.40189209 40.19926155 39.86223967 -25.16285048 -6.30171997 2.80515594 Te 40.92291136 41.10151776 41.64695972 7.59390474 3.84662201 7.18232528 Te 42.12715892 42.89478270 39.79031447 46.43021291 -41.26593823 75.50797160 Cd 43.53972573 43.50377459 41.16862083 11.15892169 7.14682208 11.85857668 Cd 42.39162138 39.66915316 42.06330551 5.90347181 14.45591430 25.05364334 Te 43.88612315 40.73247763 43.59824693 6.61575025 5.70388642 5.22437750 Cd 39.45473226 42.84099007 42.69036533 3.77104982 33.06587015 19.28550553 Te 40.79556655 43.39160428 43.89387892 18.39652921 13.34252503 19.75776342