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=278.0601731467096 stress="-0.0024419505910998757 -0.00023103780200866048 0.00010999777899454057 -0.00023103780200866048 -0.0026925297251572276 -4.845850815583201e-05 0.00010999777899454057 -4.845850815583201e-05 -0.0018873244657448404" free_energy=278.0601731467096 pbc="F F F" Cd 34.95084756 35.17344201 35.37793949 -10.91269344 -11.14485469 -3.87758469 Te 36.38914239 36.50403542 35.67561235 -38.88445001 -24.37013877 38.79282645 Te 37.46642670 37.13269700 34.77273911 47.52196779 21.67050743 -54.26453823 Te 38.61168194 38.66457061 36.00280058 -12.35485446 -7.62857317 8.38316540 Te 37.56020206 34.98205353 38.18059742 -10.03388719 -19.44354381 -16.72480018 Cd 38.48163509 36.03071517 39.30441406 66.85922073 -41.41038375 -14.13787167 Te 34.96409035 36.82952928 37.53779571 -8.98927571 1.09055106 8.86310108 Cd 35.62039366 38.83909692 39.05365225 11.54773448 -32.78893718 -19.37986825 Cd 40.47083304 35.29120314 35.47285928 -18.58783421 -11.15709118 -19.22590304 Te 41.54299510 36.10983225 36.68295825 -55.67704526 93.40800917 -30.42178632 Se 41.84439865 37.64650130 34.66146261 -3.24470571 0.85328265 -8.14492249 Se 43.21879347 38.37636369 35.94889456 7.63575131 3.15182936 2.45568301 Cd 42.20872602 35.24340527 37.08352754 75.07218222 -92.36536888 48.08272888 Cd 43.93456516 35.92805098 39.19301779 4.10239667 -3.05443564 -0.30824690 Cd 39.96498959 37.57622068 37.42558649 -3.90225916 -7.36614806 1.14481829 Cd 41.05316113 39.07767879 38.60964830 -14.26335269 -12.16507908 18.09900240 Se 34.75972982 39.60151606 35.05741475 -0.22001317 -0.14416216 -0.10407504 Se 36.64470061 41.38527357 35.78279373 -8.58648793 -3.58415872 3.19552638 Se 38.21693150 42.37600645 34.91960952 5.95035570 3.83402476 -4.71173242 Te 38.92965945 44.05999364 36.88883208 -2.05890469 3.60152560 -2.70202142 Te 37.11295732 39.50097913 37.98913490 2.69052878 3.83404188 -9.62830483 Te 39.21860880 40.60671151 38.33440416 -1.54353256 0.53794670 -7.11113003 Se 34.56547750 42.65192030 37.33019021 -0.85723152 -0.76010998 -0.90993092 Cd 36.43251839 43.40557237 38.81467131 -29.33001547 46.62729986 -32.19025450 Te 39.84708792 39.98198745 35.32305942 17.27141445 16.12182785 -15.08390333 Cd 41.27334659 41.72459326 36.47051569 -26.94775562 -14.78276118 29.82838871 Se 42.22666350 42.25289939 35.31725880 29.39520690 17.45745469 -35.72612174 Cd 44.08490092 43.10161027 36.63669667 2.35271013 1.11719074 0.38495554 Se 42.29786485 40.06715157 37.89207830 19.27933563 13.45418743 -15.62641298 Cd 44.16824379 40.88278219 38.68649191 7.91268113 0.48996939 2.21716172 Cd 39.96905206 42.60560861 38.45021808 -6.34885091 4.53109172 -1.26337637 Te 41.40325303 44.01287833 39.33626964 -15.94927997 31.12714568 2.51918283 Cd 34.98706318 35.04614646 40.09111757 -0.40286239 -0.32361604 -0.40952875 Te 36.42435526 37.12515376 41.74716111 0.00629215 -13.52627600 -11.48208699 Se 37.46557392 36.96488320 39.62864027 -63.10856305 60.76196023 19.89053931 Se 38.75963392 38.56536861 40.99604460 5.01092200 -15.85833524 2.33471379 Cd 37.72087661 35.22853071 42.37096836 -4.79609018 -7.97655435 -4.94774789 Se 38.89358835 36.01340599 43.87781784 2.25434855 0.29641065 11.12658942 Cd 35.41374457 37.68315642 43.31189935 -28.62093480 -51.33997092 11.81612710 Se 35.99087712 39.10119258 43.25602832 16.39396643 59.98565652 8.09401858 Cd 39.89483242 34.65965572 40.35785831 -4.87938192 -18.14586217 -4.80861114 Te 41.07762066 35.68184630 41.35468285 10.72119684 9.47536299 1.24122321 Se 42.52996911 37.63876999 39.64452810 -0.12822472 -0.89654611 4.56342710 Cd 43.91324090 38.62997362 41.63445027 8.88377792 -7.13726727 -6.84114370 Te 42.75823883 34.85981240 43.19587707 -14.20623896 -40.92742115 -11.54810690 Se 43.27836546 35.94267455 43.64318800 19.39414312 37.98504583 16.64112412 Se 40.23558588 37.28877906 42.61384565 -0.30352510 -0.27240362 -3.54664856 Se 40.87630663 38.61230628 43.94034826 0.13523498 7.12924659 8.64478213 Cd 34.66004333 39.86786347 40.03437707 -36.33201065 20.68047960 23.65238667 Se 36.26804766 41.14452058 40.40866964 -6.89962527 -5.62940562 13.89161152 Se 37.20345957 42.32820270 39.58698312 41.58408300 -25.41278555 19.93444601 Se 39.50764750 44.13127166 41.19227576 -4.15231342 10.85415000 -6.98252381 Te 37.38252855 39.67894364 41.67806535 -3.00411462 7.38369373 8.48858041 Cd 38.90447869 41.17154251 43.70637103 -4.20486653 -6.00684256 4.01198769 Te 34.71565316 42.76750105 41.90201441 -2.50144458 1.12532571 1.06207156 Te 36.07976641 43.77780053 43.86644545 0.94227484 0.45470587 1.10931182 Cd 39.42354919 40.29747766 40.40022076 -6.91625549 0.67248803 -2.56357109 Te 40.79524050 41.35376160 40.85223089 19.62399156 8.37534278 6.68053329 Cd 42.43086389 42.67564496 39.13495104 17.80586561 -22.92374729 -4.84935925 Te 43.70520732 43.71437542 40.66336162 7.64980887 2.23807527 6.54826274 Te 42.58133387 39.78741087 42.58199081 -11.38106820 -4.54540996 -1.25170219 Te 43.34943612 41.47403494 43.58477427 6.80316462 13.77373302 7.82426968 Se 39.92730245 42.80117617 42.55165759 -0.40615194 -5.02660361 2.65748899 Se 41.03622136 43.64593932 44.02528748 6.13554511 4.01523089 6.59377979