108 Lattice="13.51170218848301 0.0 0.0 0.0 13.51170218848301 0.0 0.0 0.0 13.51170218848301" Properties=species:S:1:pos:R:3:forces:R:3 energy=-112.998136387699 stress="-0.011229067516060297 -0.004815678504743308 0.002092102237019285 -0.004815678504743308 -0.014847057360239602 0.00020061425137665875 0.002092102237019285 0.00020061425137665875 -0.011292081829658985" free_energy=-112.998136387699 pbc="F F F" Hg 0.06850418 0.02268441 0.03544072 -0.51705000 0.31799295 0.23180311 Te 2.27581242 2.24482822 0.00936107 -0.74158491 1.78839076 -3.43708461 Te 2.28817494 0.00929111 2.25811221 -1.54661052 -2.80884474 2.37084829 S 0.05718119 2.22388665 2.21988575 0.15816443 0.13596928 1.10999019 Se 4.54879283 0.01302322 0.04145503 1.20096746 -0.59108069 -0.57247398 Cd 6.73193792 2.22876561 0.01425769 0.75589921 -0.78318564 -1.61551639 Cd 6.71505813 0.00483803 2.24084743 0.86672606 -1.63872104 -0.50442258 Cd 4.53468504 2.25571324 2.23994020 -0.83495549 0.39258001 0.53431033 Zn 9.02784432 0.03243628 0.03385659 1.29571750 1.13329315 1.10372767 Te 11.28109799 2.27114313 0.02828859 -1.19338678 -0.05660497 0.12411746 Se 11.19138975 0.04580652 2.29013380 -0.25301964 -0.21709263 -0.50954703 Se 9.04003350 2.25649724 2.29558734 0.34739110 -1.64733820 -2.52097851 Hg 0.00599702 4.49402194 0.01207155 -0.30674586 -0.56808003 0.06719455 Zn 2.27096403 6.78037043 0.04326850 0.40777854 0.02463870 -0.81002691 Cd 2.17824949 4.49692713 2.23580124 -0.10614865 -1.35074301 0.70004203 Te 0.02200365 6.72179046 2.28600301 -1.88254554 0.34523449 -0.80285166 Zn 4.51879951 4.48372136 0.03970716 -0.24672973 1.15776821 -1.91260181 S 6.73436578 6.77629870 0.00375735 0.74206239 0.49115603 0.56754466 Te 6.71869508 4.48545019 2.24999616 0.98171951 2.29111984 -4.61395454 Te 4.53288550 6.73867700 2.28837786 -1.25609961 1.53092032 -1.20579198 Zn 9.04388907 4.54732486 0.02663045 0.92121240 0.00359772 0.68445977 Te 11.26573236 6.75412950 0.04155616 -0.38951462 -1.49681927 -1.24204821 Se 11.26302504 4.52110588 2.22546551 0.48074653 0.76417698 -0.51578577 Hg 9.00673327 6.74490788 2.26485309 -0.74695573 -0.01873828 0.12756471 Cd 0.04179671 8.96452407 0.01144377 -0.26532549 0.05118575 -0.39104077 Te 2.26673819 11.27516514 0.02013962 0.63718872 -0.07168641 0.42442117 Hg 2.21959827 9.02196183 2.22809224 0.06981446 0.67317552 0.95350877 Cd 0.02125192 11.25521475 2.21728970 -0.07458990 -0.29034653 0.62281325 Hg 4.50347328 8.94080075 0.00381233 1.09102034 0.50144223 -0.94952216 Se 6.75902682 11.29719709 0.01610842 0.09542327 -1.78633702 1.79957358 Cd 6.78059359 9.00988691 2.28653776 1.00794174 0.73593779 -0.83839372 Zn 4.49114699 11.21830861 2.27545316 0.11406106 -0.10584083 -0.85942093 Zn 9.02255922 9.04880651 0.00195716 -0.11436363 1.56577366 0.47096891 Se 11.23294102 11.23852145 0.00100717 -1.56659510 -1.19983361 1.03009435 Te 11.24260192 8.97371979 2.22547716 0.40620291 2.36890319 1.53295924 S 9.00260032 11.23843812 2.17994893 0.01255364 -1.70907178 -0.21140509 Se 0.01692060 0.03017661 4.50931437 1.81987485 2.03276843 0.36300756 Zn 2.26122616 2.26378419 4.51797243 -1.48925489 -0.10140803 0.96973867 S 2.22716058 0.00276489 6.78206046 0.04935753 1.53750431 -0.95905004 Hg 0.02006702 2.24622619 6.75465796 1.34657437 -1.07567278 0.21847779 Cd 4.50650944 0.01237133 4.47446341 -1.55531853 -2.01775990 1.25662562 Te 6.77144302 2.28750499 4.53092898 -0.93731098 -4.07393933 1.05122654 Cd 6.79815639 0.01120058 6.73034927 0.27045970 -1.55750899 0.65351950 Cd 4.54554701 2.24997400 6.76797053 -2.33891331 -0.44656310 0.47399514 S 9.05031095 0.03798008 4.55586135 -0.02885198 -0.73756195 -0.31121525 S 11.29349701 2.26986125 4.48128534 0.37230667 0.16129031 0.69744382 S 11.27445324 0.04397318 6.75701261 -0.72954754 0.82577907 0.66855739 Se 9.02427755 2.22499654 6.74681825 2.14364025 -1.37330361 1.81274009 Hg 0.02735813 4.46898471 4.50166166 0.02325183 -0.95711944 0.51484724 Cd 2.29911385 6.72365545 4.49278889 -0.44091208 0.51533538 1.39181644 S 2.27675316 4.54342017 6.78671618 -2.84994442 -1.47942206 -0.26329989 Hg 0.04678129 6.82902014 6.74135879 -0.12758392 -0.61068864 -0.05931311 S 4.53947109 4.49669773 4.52670239 -2.67261503 -1.53532996 -0.05402706 S 6.76718623 6.73632953 4.46572961 0.70207934 3.17890456 1.52992554 Cd 6.79146184 4.47670787 6.74733678 -1.06321368 1.41179177 1.38236147 S 4.46461681 6.71563109 6.77012547 1.57681360 2.58308056 -0.28172074 Te 9.04988394 4.48843512 4.51172121 4.91853625 2.72557403 0.77133098 S 11.21582968 6.78668222 4.49981281 -1.30031296 0.63338147 0.53454040 Hg 11.26041019 4.44242137 6.72363140 0.33749650 0.46028568 -0.98547189 S 8.97030861 6.73671057 6.75480622 1.02637133 2.49879656 -0.93478291 Se 0.03221525 8.99575077 4.51573423 0.13973886 0.74228588 -0.39231474 Hg 2.26608591 11.29183363 4.50806032 0.33537000 -0.01163101 0.91230358 Cd 2.25936217 8.99829143 6.79818292 0.78596671 1.15197406 -0.46650503 Se 0.03259349 11.24048167 6.78717625 1.31776202 -0.92998404 1.25950752 Zn 4.52209670 9.03120156 4.49766827 0.59354357 0.55499417 1.17414008 Hg 6.78497689 11.26717412 4.47244177 0.23920134 0.27666290 0.55834137 Hg 6.74113095 9.00371405 6.79354673 -0.11679953 -0.45458172 0.47016270 S 4.46529054 11.28974173 6.78627822 -0.28508956 -2.11725986 0.26673275 Hg 9.01607272 9.04901337 4.50628651 0.54082645 0.04802664 0.92467701 Zn 11.25037088 11.25685618 4.43076531 -1.36371356 -0.83757634 -0.41072001 Hg 11.29499070 9.03230174 6.78778038 -1.05259618 0.14462698 0.35430269 S 8.98531996 11.21690504 6.72571649 0.05592327 -1.81935709 -0.49112173 Se 0.02385498 0.00064234 9.04062013 0.32229534 0.35023288 -0.13410874 Se 2.24058987 2.21256655 8.98862891 -2.11827691 0.28126552 -1.76856602 Hg 2.21084503 0.00962679 11.18461736 -0.31193036 -0.44953345 -0.00872583 Hg 0.03107930 2.27708594 11.27617130 -0.13586008 0.02794660 -0.47765509 Cd 4.52690721 0.03562992 9.04183835 -0.60619726 -1.19707728 -1.27450006 Hg 6.73088020 2.23437370 9.02730854 0.58299404 -0.63909559 0.03631735 Zn 6.78403071 0.05888815 11.21752038 0.51554521 0.24848128 0.08395971 Te 4.52762966 2.24341744 11.24796782 1.15936633 -1.55654011 2.63529589 Cd 9.05067116 0.01041003 8.95962668 1.13065745 -0.29792220 0.36594979 Hg 11.23061804 2.22083423 9.04236165 0.49217323 -1.38297959 -0.01726946 Se 11.25863903 0.01849908 11.25058579 -1.49411079 1.33738975 -1.28556926 Zn 8.99059211 2.26589586 11.28176167 -0.05506264 -0.37871989 -0.04123803 Zn 0.00869011 4.47692472 9.03091284 1.22388321 -0.60517935 -0.47611873 Cd 2.25805882 6.79701612 9.01949539 -1.10251291 -0.69709950 -0.64526144 Te 2.27161748 4.47313678 11.24342474 -2.85273399 1.08151606 1.55631017 Zn 0.00658911 6.77096505 11.27559302 0.51872182 -0.08195842 -0.02770497 Se 4.51566647 4.50088077 9.03686157 -1.16681202 -1.36631148 -3.23406931 Se 6.71414794 6.72700660 8.98169966 0.91271237 5.47158671 -2.00024603 Se 6.75156771 4.53424179 11.22722520 1.70412813 -3.00517736 3.74919583 Se 4.49260208 6.77503988 11.26579884 -0.08764544 2.67505355 2.80689798 Te 8.95882108 4.50187265 9.01976948 0.22478563 -2.15092017 -0.51319461 Te 11.28643390 6.79514019 9.02024800 1.62033806 2.43563286 -0.47271647 Cd 11.27558000 4.57660257 11.22023679 0.70284515 -0.29639727 1.21907662 Se 9.01197671 6.75961748 11.22481110 0.72381876 2.99077078 1.73567366 Zn 0.03451884 9.01600745 8.98596126 -0.08529907 1.46039863 0.00177623 Zn 2.25867203 11.27145563 8.97723037 0.31484873 -0.54181839 -0.74863451 Te 2.26391964 9.03564708 11.23634731 -2.64487111 0.43205090 0.40108006 Zn 0.02873138 11.25556608 11.21825378 0.99244509 -1.03341174 -0.53028017 S 4.51198070 8.96560590 9.02800157 1.69204844 1.38062523 -0.76242717 Cd 6.76738981 11.27183484 9.02074616 -0.18423191 0.03539437 -0.99500481 Zn 6.73481692 9.03598372 11.25139276 -0.03228968 -0.88060494 -1.32223685 Te 4.47088771 11.26261500 11.22374495 1.15227414 0.37956462 -0.51031147 S 9.01596787 8.99770643 9.03074168 -0.02334373 -0.35149361 -0.07980685 S 11.26889330 11.21931934 8.99633043 -1.42972929 -1.57029001 -0.09001922 Zn 11.23403202 9.03969998 11.29474262 -2.13158150 0.19464698 -2.06139898 Te 9.00648109 11.28742655 11.23209094 0.68312122 -1.57931322 -0.65832406