108 Lattice="14.925340859841633 0.0 0.0 0.0 14.925340859841633 0.0 0.0 0.0 14.925340859841633" Properties=species:S:1:pos:R:3:forces:R:3 energy=-132.10176879971561 stress="-0.0037537769624459132 -0.00011335943883043199 9.927780038774221e-06 -0.00011335943883043199 -0.004395021929659626 -0.00045484544487807204 9.927780038774221e-06 -0.00045484544487807204 -0.004097760289315204" free_energy=-132.10176879971561 pbc="F F F" Cd 0.01536133 0.01782247 0.01541913 0.01815426 0.02737942 0.00630990 Cd 2.51297031 2.47953681 0.03935764 0.71790115 -0.19024007 -1.29361957 Cd 2.52515475 0.01182226 2.48789428 0.82449728 -1.08816031 -0.05805760 Cd 0.04651582 2.44221505 2.51376834 -1.34943840 0.24563827 0.31275564 Te 4.96568796 0.04735487 0.00157242 0.18599966 0.54037585 0.69104527 Cd 7.43000110 2.46992339 0.00343212 -0.38795062 -0.52003010 -0.38926611 Te 7.47103996 0.00594094 2.47743180 -0.15530248 0.07720215 -0.27465403 Te 4.97730100 2.53124264 2.48544617 0.20282815 -0.32419806 0.02639955 Te 9.93747432 0.00959930 0.00674754 0.26283388 0.81801925 0.91412920 Te 12.48016747 2.50047419 0.02172475 -0.81043478 -0.30340455 0.82507467 Te 12.40380148 0.03393048 2.53443900 -0.66496931 0.66222383 -0.45789555 Cd 9.99847471 2.50055352 2.48422089 0.04584662 -0.40807268 -0.76442026 Cd 0.07738528 4.92904735 0.03351544 -0.13097751 0.41155256 -0.42120987 Te 2.45162715 7.46444606 0.02119638 -0.12323555 -0.11735355 -0.25640308 Cd 2.49423648 4.96735376 2.48531655 0.54952426 0.38032120 0.55247901 Cd 0.01322016 7.49214407 2.53095646 -1.02928362 -0.27817634 -0.34074643 Te 5.04158515 5.02300993 0.04513286 -0.10004630 0.11267492 -0.26658583 Te 7.42773500 7.49753548 0.00416044 -0.06289673 -0.02348104 -0.17969880 Te 7.42407409 5.02417129 2.49662133 0.25036027 -0.22569502 -0.29915138 Te 4.96200225 7.45020476 2.50048511 0.15720515 0.13833607 -0.27178230 Cd 9.91155508 4.98833516 0.03075892 0.43941395 0.48734388 -0.48478016 Te 12.46166253 7.49440778 0.00892532 -0.80776987 0.16423533 0.93041722 Te 12.39117385 4.99742713 2.45971256 0.26574043 0.25569749 -0.33788311 Te 9.93815952 7.47696944 2.43752406 0.62111465 0.18244072 -0.07466085 Te 0.03113079 9.94099362 0.04132301 0.72908055 0.20223847 0.52240097 Te 2.41890776 12.45414258 0.01786711 -0.07004052 -0.74830756 0.81211846 Cd 2.49765470 9.90556458 2.50737070 0.32581158 0.28368749 -1.01290366 Cd 0.04811283 12.46226185 2.51812696 0.04068670 0.02878078 -0.79054904 Cd 4.92148443 9.94963471 0.03371514 0.08289663 0.06280360 -0.44568062 Cd 7.41717421 12.43801606 0.01948154 0.26725032 -0.27739915 0.64077101 Te 7.51063401 9.95502055 2.45446539 -0.33531898 0.29491508 0.05446251 Te 4.95152445 12.46166848 2.49381690 0.08064916 -0.14256763 -0.30048580 Te 9.90277824 9.91421238 0.02924503 0.55109592 0.22549666 0.17912503 Cd 12.41112318 12.44658572 0.02440855 -0.70388725 -0.72876361 0.73177855 Te 12.48600512 9.98760328 2.52826424 -0.42453762 -0.13064098 -0.34427536 Te 9.96272747 12.47490322 2.47160240 0.20045327 -0.25100593 -0.30868101 Cd 0.02377977 0.01653796 4.93745830 -0.09163733 -0.38159423 0.35938907 Te 2.44740923 2.39795041 4.99284546 0.39438051 0.22197883 -0.12885498 Te 2.41728612 0.03974620 7.45341728 0.05280027 -0.42771936 0.18297949 Cd 0.01211487 2.52724612 7.43281868 -1.18898675 -0.40238626 -0.12343861 Te 4.93070215 0.04959292 5.00022856 0.19077775 -0.23201376 -0.15644567 Cd 7.44491360 2.45154570 4.99016853 -0.61383650 -0.56857692 -1.00565594 Te 7.40937424 0.00597083 7.42089769 -0.00523587 -0.44218446 0.07557494 Cd 4.97367945 2.48772180 7.50636104 -0.50427537 -0.98628640 -0.51213206 Cd 9.97432435 0.02144090 4.99585326 0.22610507 -1.32790367 -0.02687176 Cd 12.46239867 2.52551468 4.96305714 1.35066182 -0.55434735 -0.12313730 Te 12.47914086 0.04354393 7.45627588 -0.62000270 0.61747523 -0.01806106 Cd 9.93146102 2.45730484 7.48859515 0.28177796 -0.87385951 -0.06059250 Te 0.05536821 4.92762238 5.02490872 -0.12198588 0.23824639 -0.18352617 Te 2.47865824 7.50027124 4.96189840 0.12818695 -0.71476508 0.27083558 Cd 2.51111939 4.94271066 7.45534597 0.12530987 0.78363649 -0.91888172 Cd 0.03252556 7.48758826 7.44184183 -0.55326721 -0.26495985 -0.04516005 Te 4.98095630 4.96463639 4.96233501 -0.43880475 0.15111563 0.17999176 Cd 7.47125051 7.41985646 4.95621300 -0.47446956 0.44703363 -0.18652772 Cd 7.45416916 4.93096865 7.39329477 -0.37246236 1.17399692 0.30598554 Te 4.93511983 7.53113471 7.50787271 0.15914710 -0.22363969 -0.35812434 Cd 9.96770820 4.99835739 4.99441922 0.51980231 0.65790907 -0.72619442 Te 12.44606372 7.46136235 4.96335301 -0.03502527 0.24406958 -0.25876507 Cd 12.38937859 4.98504036 7.44212477 1.12722164 0.63659299 -0.13693496 Te 9.93567880 7.49993891 7.43097845 0.25795132 0.13300759 0.36079872 Cd 0.03221182 9.91223165 4.94846163 -1.21669397 0.17203550 0.36824281 Cd 2.45736985 12.41420195 4.99400419 0.37623276 1.26322525 0.26834339 Te 2.44121181 9.94028812 7.45876542 0.14426287 0.30087306 0.31468039 Cd 0.01989058 12.44268667 7.49623734 0.18163061 0.16026220 0.20047138 Cd 4.92538198 9.96015066 5.00052852 0.71696576 0.13971843 0.21817676 Cd 7.48801720 12.46463144 4.93695334 -0.50028366 0.56718216 -0.34431216 Te 7.45533270 9.94812457 7.48426082 -0.10632223 0.23604079 -0.00512219 Te 4.96316267 12.47522676 7.43693490 0.04638514 -0.09624346 0.16780344 Cd 9.94457650 9.98325989 5.00609897 0.51045639 -0.40245097 -0.50846719 Cd 12.45370837 12.43551915 4.92839114 -0.08831177 -0.39248106 -0.19719347 Te 12.41474845 9.95195458 7.44437683 -0.04080295 0.22380722 0.04404190 Cd 9.86911861 12.42064378 7.50713723 0.13406527 0.38876589 0.64451808 Te 0.04939038 0.02170475 9.92801588 0.51565099 0.53882992 0.23842127 Cd 2.44123865 2.44697133 9.97279432 -0.14420520 -0.79606802 0.31656548 Cd 2.52565300 0.07691998 12.48081189 -0.42577592 -0.04836337 -0.22229781 Te 0.02660024 2.48172696 12.45035395 0.58635245 -0.16582519 -0.65157120 Te 5.00348238 0.00397997 9.93695738 -0.14535570 -0.32623007 0.09682810 Cd 7.41855220 2.44769750 9.95391822 0.17172945 -0.59482925 0.81180187 Te 7.41344298 0.02121636 12.40228568 0.16179441 0.57437687 -0.57312742 Cd 4.98955279 2.46779258 12.47500099 0.39674302 -0.29001202 1.03879871 Cd 9.96114083 0.00082205 9.93459568 0.27105599 -0.79961893 0.63621275 Cd 12.46858396 2.50887893 9.91834975 1.05828890 -0.67141517 0.80574588 Te 12.46089969 0.01899261 12.47273782 -0.90812732 0.87941785 -0.83728618 Te 9.94164095 2.53709706 12.39739957 0.20580717 -0.43610184 0.12312656 Cd 0.01303353 4.95354637 9.95965311 -0.93230889 0.43773627 0.78168352 Te 2.53375000 7.43889721 9.95621743 -0.43799108 0.46425244 0.53158173 Cd 2.50211783 5.01801711 12.45357609 -0.51575296 0.39586495 1.01296318 Te 0.01902215 7.44532187 12.43947463 0.89759444 0.18140249 -0.77515273 Cd 4.96049007 5.00756226 9.94025350 0.50741289 0.93749269 0.57651306 Te 7.45452962 7.49771160 9.92814998 0.18374350 -0.40813399 0.21522634 Te 7.38486116 4.94493673 12.45303725 0.13691020 0.26132778 -0.04496404 Te 4.98285016 7.42360847 12.46814779 -0.01994850 0.24403467 0.00003908 Cd 9.92473902 4.92551456 9.94019252 -0.32949507 0.77734599 0.78006713 Cd 12.46427636 7.45490543 9.95165265 0.61292027 0.40110420 0.18873947 Te 12.40948987 4.93245381 12.39224315 -0.61583076 0.08132321 -0.56264401 Cd 9.94478505 7.47901289 12.41220815 0.16157412 -0.23552915 0.61950548 Cd 0.03242337 9.98207263 9.92630539 -0.18434749 -0.08099113 0.94863556 Te 2.48986785 12.42345988 9.95618521 -0.03774356 0.07387068 0.07557396 Te 2.44587009 9.99932817 12.48430388 -0.17840842 -0.26718160 -0.27304842 Te 0.02570690 12.41450068 12.45021233 0.78342132 -0.69249245 -0.66578968 Cd 5.00011411 9.99399259 9.95559141 -0.59730325 -0.11206515 -0.24052294 Te 7.43226040 12.48243421 9.89338897 0.23210805 -0.10734930 0.17180635 Cd 7.41776497 9.93862229 12.41509408 0.12988073 0.02449985 0.41227117 Cd 4.95240940 12.42108981 12.40555858 -0.28140189 0.09720868 -0.13073702 Te 10.00559762 9.90813594 9.98211965 -0.05226227 0.33592849 -0.01492019 Cd 12.48663259 12.40167251 10.00294166 -0.14461269 -0.69105147 0.00504785 Te 12.46971086 9.94293347 12.43080704 -0.65872433 0.13943120 -0.68461136 Cd 9.94899576 12.43114384 12.39558276 -0.01836417 -0.43161743 -0.47379192