108 Lattice="13.499745793307241 0.0 0.0 0.0 13.499745793307241 0.0 0.0 0.0 13.499745793307241" Properties=species:S:1:pos:R:3:forces:R:3 energy=-109.9199920069577 stress="-0.014056166820720448 0.002246611791465004 0.0054773641867262145 0.002246611791465004 -0.010171517829563393 -0.00142437642034957 0.0054773641867262145 -0.00142437642034957 -0.015476671747570727" free_energy=-109.9199920069577 pbc="F F F" Hg 0.03610336 0.04194558 0.03659557 0.35055902 0.18368321 0.16096498 Zn 2.26910567 2.21218944 0.03115152 1.31732975 0.08649376 1.51153932 Zn 2.22860078 0.04010501 2.25079760 1.57815580 0.98338979 -0.14465386 Cd 0.04604286 2.23975148 2.27131760 -0.29408654 0.65346278 0.29809859 S 4.53683848 0.03122760 0.00742201 -0.70072722 1.90235056 1.09718789 S 6.78486029 2.25696258 0.03042900 0.26143325 0.30493468 0.81648061 Te 6.75907166 0.04179562 2.25396949 -0.15614351 -1.79572783 -3.31969243 Se 4.47712880 2.26060698 2.20556557 -1.48286556 1.81719540 -2.36032168 Cd 9.04725954 0.01238489 0.05987120 0.17870591 0.41179061 0.18619681 Zn 11.20735401 2.24029055 0.04399111 -0.38196298 -0.71101589 1.21255006 Se 11.25239705 0.03966987 2.21333648 -1.47655739 1.89534462 -0.59508012 Zn 9.02045049 2.26804188 2.23823131 -0.26285553 0.81039997 -1.02109626 Te 0.00450585 4.48373237 0.03975949 1.07755286 -0.01889614 0.56671174 S 2.29024081 6.75646257 0.00741943 0.67135601 -0.53830320 1.51247120 S 2.24241246 4.50771896 2.22624668 1.75641209 0.32419426 -1.12743176 Se 0.01575735 6.77188683 2.25577844 -1.69088105 -1.82235443 -1.81055358 Zn 4.53086206 4.49284686 0.03021875 0.77214035 0.31860385 2.48503428 Se 6.71352293 6.71954178 0.03004872 -0.92389201 -1.25637322 1.23953574 S 6.80927156 4.43386958 2.19947864 0.10089413 -0.12678907 0.14384278 Zn 4.49048877 6.75460681 2.22505164 -0.68985381 -0.41480918 -1.34563038 Hg 9.02494268 4.51375618 0.07508091 -1.25133070 -0.33396446 -0.01144738 Zn 11.25139138 6.71640958 0.04114093 0.00344932 0.54557099 0.50784967 Cd 11.17131284 4.47601359 2.25417836 0.58300290 0.73504867 0.53868317 Cd 9.00779807 6.82190171 2.21127646 -0.55637528 -0.68046230 0.62485407 Cd 0.00569272 9.03511620 0.04905025 0.66586027 -0.93334869 0.18321485 Zn 2.22480841 11.20954087 0.02970101 0.98493450 -0.84758471 0.91315178 Se 2.23286896 8.99624816 2.25292623 2.33346229 0.97959969 -1.22221256 Hg 0.01951001 11.20897675 2.23011906 -0.20328996 0.06615258 -0.40837939 Te 4.52211838 9.04102998 0.02335823 -0.99688456 -0.98611214 -0.74215728 Cd 6.76971112 11.21362068 0.07906097 -0.04870774 0.34687176 0.01001865 Hg 6.75558097 8.98848511 2.23901054 -0.07450581 -0.77698842 1.03947024 Se 4.46523384 11.26377947 2.20681519 -0.08448529 0.40154149 0.72702328 Cd 8.97087958 8.99515310 0.06916260 0.42595933 -0.02217082 -0.50351467 Zn 11.24065360 11.23185125 0.01029357 -0.20528878 -0.73543552 0.66264308 S 11.27109410 8.99546123 2.28093480 -0.69478129 0.69198604 -0.52655484 Cd 9.03785933 11.18824341 2.30165899 0.75071775 0.12253334 0.29603967 Hg 0.01739224 0.05063586 4.52204365 0.22853442 0.49159602 0.67179326 Se 2.24505464 2.24105059 4.47943105 -0.44523475 1.38014803 0.75511369 Te 2.22183344 0.00657709 6.74803438 -0.90539538 -0.40318517 1.14159165 S 0.04473092 2.20619351 6.77581665 1.18261658 1.08177376 -0.29885451 Te 4.53835976 0.04368196 4.48690529 -0.63905482 -1.51463634 0.77865764 Hg 6.78831487 2.25221255 4.52812975 -1.98969103 2.04037061 -1.33263863 Zn 6.70898195 0.00802196 6.75518334 -1.41437576 -0.90252875 -0.71533785 Zn 4.45711846 2.24524064 6.75297036 -1.47738344 -0.27083989 -0.71011570 Te 8.96185837 0.02953292 4.47932790 1.61984528 -3.72669923 -0.99822594 Hg 11.24346471 2.27468883 4.53926256 2.39495082 -0.74279017 -1.32666631 Se 11.23081047 0.01991025 6.69502029 1.33956278 -1.20957897 -0.12267924 Te 9.03167352 2.20978693 6.70674852 -0.21273594 1.54374538 -2.17687194 S 0.03627272 4.51448260 4.53275485 0.84229196 -0.90108610 1.08579982 Te 2.23694375 6.77564958 4.45771322 3.94976942 -3.41671927 -0.53481271 Zn 2.26303160 4.49213402 6.78518915 -0.16256211 -2.27642813 -1.75158058 Cd 0.04034839 6.72799998 6.75725125 -2.53720427 -1.40852495 -0.05557227 Hg 4.50252572 4.49442663 4.52710428 -0.65890745 0.32839153 -0.97451573 Zn 6.76360529 6.73673786 4.43134146 0.03615037 -0.08529730 0.29926723 Hg 6.71368362 4.48816138 6.72766985 -0.50003648 3.17095175 -0.78238244 S 4.52973979 6.80546624 6.71712822 1.28936747 0.11740931 -1.50015404 Hg 9.01986560 4.46073164 4.46960979 -0.09177856 2.69030110 -0.81829752 S 11.25139536 6.75909912 4.50192098 -0.65839599 -1.11675781 -0.11339290 Zn 11.21397143 4.49441106 6.77142317 0.55735230 1.41006641 -1.01929107 Se 9.03061606 6.72101626 6.75980673 0.01789504 -2.90534027 -3.56885652 Te 0.00463209 8.99958425 4.48086947 -4.76017035 1.56165613 -1.22070028 Hg 2.25290858 11.26003334 4.47276148 1.30183010 1.11599605 -0.73651609 Cd 2.25630353 9.01542006 6.71789055 3.11376113 0.28810681 1.03745140 Te 0.00921343 11.24371572 6.78704566 -1.39916386 2.01870163 0.55235123 Zn 4.50193976 9.05418795 4.49276517 -0.26562336 -0.36936464 -0.93044573 Te 6.74529730 11.25286889 4.44520198 -0.45124835 0.53645199 0.07191751 Cd 6.79314112 8.98132636 6.76130442 -1.15148935 0.11165754 -0.52524470 Hg 4.48570549 11.25210443 6.79450683 0.51743822 0.65169067 0.71237065 S 8.95438623 8.97000526 4.54367750 0.02983898 0.07510941 0.19728415 Zn 11.26358674 11.22044385 4.53258725 -0.88429494 -2.02533734 0.21776308 Se 11.26540764 8.96324951 6.75680243 0.87983242 1.85248838 -1.67997752 Hg 9.05231902 11.25993760 6.78098313 -0.11267964 0.26773219 -1.07971070 Hg 0.01152864 0.02929948 8.98204519 0.59811402 0.77200533 0.17920718 Se 2.24684133 2.28557193 9.02358694 -1.98716247 0.55159046 -1.27151948 Se 2.28420522 0.01906762 11.24113107 -0.71688182 0.82056683 -0.55750679 Zn 0.00469298 2.20557101 11.21271046 1.55654610 -0.67654206 -0.91942949 Hg 4.48861986 0.04225706 9.02504209 -0.33551641 -1.19939082 0.39275540 Te 6.72480828 2.26302180 8.99002037 -0.12142208 -2.40361577 1.21491171 S 6.72121554 0.01880769 11.25379029 -0.18687653 0.85211974 -0.81386866 Cd 4.52453598 2.27685730 11.20699348 0.04773698 -1.46208713 3.04497467 Cd 9.00641243 0.04445540 9.04281111 0.23232718 -3.55430592 2.24705847 Te 11.26130385 2.20885174 8.99839305 4.62916943 -0.02684979 1.53607855 S 11.27168548 0.01945278 11.20822504 -0.79755547 0.62228577 -0.57226135 Se 9.03093330 2.24638944 11.27571636 -0.43978980 -0.20419070 1.86235704 Hg 0.04447328 4.54325383 8.99301090 -0.86647237 -1.13478005 0.14399941 Te 2.28903096 6.72763298 8.99278669 -1.26210688 1.43291627 -0.06162657 Hg 2.22230122 4.47445174 11.24552898 -1.10957385 0.26799545 2.01355699 S 0.01353060 6.69593168 11.23864235 1.21945043 -0.34817707 -1.17772925 Te 4.49833644 4.46267752 8.96441232 -0.17349906 1.33220631 -1.71499024 Se 6.74567967 6.76862782 9.01107287 -2.35453451 -0.91046217 0.11514060 S 6.70587511 4.53930716 11.28955098 0.47165635 0.29441732 0.58948701 Se 4.46915037 6.69269130 11.23538447 1.04881631 0.34978331 1.83631706 Cd 9.02226656 4.45829379 9.01961632 -1.18753896 1.79011353 0.93818250 Cd 11.22349417 6.77923264 8.98401306 3.30713499 -0.11583417 -0.46691489 Cd 11.24430285 4.49621710 11.23556819 0.50632307 -0.52631660 0.91212399 Te 9.03284079 6.74445710 11.20528131 -0.72094696 -1.38196571 4.20645343 Cd 0.00791621 9.04050696 8.97750117 -2.53814664 -0.56091513 1.21689515 Se 2.21554239 11.24327531 8.94273262 2.59806042 1.34195006 0.27078986 Se 2.23396415 8.96180105 11.25423762 0.93821429 -0.00304441 1.19941200 Se 0.01342373 11.21063561 11.22709508 -0.80549238 0.37451905 0.40947021 Hg 4.53402587 8.99920458 9.01919547 1.12158329 0.63944306 1.12230088 S 6.75631456 11.25736355 9.01970979 -1.59627483 -1.09827896 0.22673795 S 6.78875545 8.96448612 11.24915328 -1.83865264 0.90372592 -0.51732823 Zn 4.50726589 11.26934410 11.21174712 0.03468408 -1.39771740 -1.70186725 Te 8.98235120 8.96637946 9.03508062 -0.84325141 2.16589609 -1.31957934 Cd 11.21616566 11.22181139 8.96562728 1.11878308 0.05160000 0.09354648 S 11.24459123 8.98019046 11.27079151 0.52447389 0.44735765 0.06855160 Te 9.02406578 11.24087658 11.25484766 -0.29144083 0.95393931 1.11095674