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=649.6524191193918 stress="-0.004069844817819958 -0.0006816289962551177 0.000847850159201955 -0.0006816289962551177 -0.003946344320775166 -0.00021174937018263884 0.000847850159201955 -0.00021174937018263884 -0.004197396646754465" free_energy=649.6524191193918 pbc="F F F" Cd 35.27019812 35.10312726 34.77506826 -1.71129562 -1.17991475 -1.93138862 Te 36.65330392 36.76422295 36.57346579 -11.63975881 4.32867250 -0.56384619 Cd 37.86047368 37.55121317 35.21845944 4.49797816 -15.00578386 -36.91018286 Cd 38.37434930 39.11063362 36.14599262 33.87027405 12.18793104 -28.97610441 Cd 37.35333334 35.02000943 36.91426573 9.58255696 -29.42628465 5.83636109 Te 38.81637917 36.61227854 38.69883672 -17.70082238 -38.52032047 31.27225372 Te 34.93888509 37.44794051 37.43468522 -22.14017034 4.09055276 7.15904575 Cd 36.03458290 39.08784691 39.21497245 26.31163090 -11.23068113 -38.22628465 Te 39.87807163 34.67792710 35.18238003 -9.18168261 -8.15760960 -4.61169769 Te 41.61372212 36.01240660 35.93254066 -9.23904383 -13.19627752 20.59327734 Te 42.31531496 37.08650163 34.64697157 14.29080219 21.64187126 -27.30373827 Te 43.48203926 38.90131030 36.67903887 57.13937389 -46.04780410 -28.33751212 Te 42.75050905 34.79310740 37.67210592 -11.39303872 -43.98425871 -23.25090597 Cd 43.27976704 36.04986785 38.64826921 23.43028688 32.50133189 20.08993897 Te 39.62246519 37.35135932 37.41529812 16.75063124 1.74428342 -50.88145985 Te 40.76964547 38.50979155 38.42723384 23.75424276 10.27480509 -0.51752909 Te 34.73873431 39.56987063 35.31577595 -6.69935296 -14.05854664 -10.56343176 Cd 35.32300604 41.28154063 36.33910872 5.07809260 7.03155128 0.79148945 Cd 37.39386485 42.93248523 35.82044955 -20.95165417 -6.64656770 -7.63423130 Cd 39.12760712 43.58112972 36.29163954 16.23634936 25.80764018 -10.07348417 Te 37.43171700 39.58004603 37.42291825 -30.78238201 20.41902628 33.44179056 Te 38.79008691 41.14878546 38.79531476 -5.92322184 -30.79054759 16.49808818 Te 34.94629530 42.62503613 38.08557256 -21.52801736 -3.81910459 -5.65164879 Cd 36.32023254 43.50522559 39.15429937 -0.46975329 30.76752317 -2.62034127 Cd 40.00368490 40.38207205 34.96836453 -1.94753687 -0.68639540 -10.68344431 Te 41.60886605 41.48166904 36.19237275 -23.26021111 -27.96368960 20.02701063 Te 42.36531311 42.77221949 35.33737120 -2.94058853 13.02883344 -49.86377927 Te 43.39819506 43.84251832 36.24540103 28.45156556 30.86849436 22.58257899 Cd 42.41501309 39.81677778 37.26917747 -43.10965424 35.00965369 30.85836765 Te 43.40309958 41.67311431 38.80253863 4.52240581 -34.33127768 -125.87256819 Cd 39.58347222 42.20872728 37.63841662 22.40714686 12.44538455 -11.68987954 Cd 41.29786551 44.04882262 39.17301688 -2.11813783 3.05548895 -1.80406366 Cd 34.79273725 34.92709151 40.24150665 -8.57956016 -9.61556716 -4.59976505 Cd 36.13761442 36.39954043 40.96976113 -7.56731580 -4.76254610 6.67687522 Cd 37.47986859 37.50641920 39.96981497 2.13278009 13.53942993 4.20159260 Cd 39.21070628 38.91483779 41.08193849 -44.88343062 -10.50551418 24.58389657 Te 38.01100692 35.41557061 42.07623522 -5.77586777 -16.57071905 -10.66990959 Cd 39.03830053 36.30114769 43.55504928 3.71920404 2.35076626 22.86815407 Te 34.74070894 37.79599095 42.37433008 -12.98099144 -1.83781686 2.31925408 Te 36.46727926 38.41764826 43.71179051 5.24914543 -1.74084060 10.16187089 Cd 40.41575251 34.89078615 39.88288881 -1.62041598 -6.70652730 -0.74264607 Te 41.65069931 36.66444697 41.25592154 -18.01938497 -80.56587592 63.82282089 Cd 42.29501545 37.29814022 40.23360583 57.74469211 62.49586419 -85.16438256 Te 43.83041964 38.84770123 41.69420341 23.95211012 -6.45150834 -17.00038095 Te 41.91365588 34.56568736 42.91061452 1.78272114 -4.87871163 4.07300940 Cd 44.12975115 36.38452738 43.92461499 0.00821892 -0.56751698 0.10173943 Te 40.38456266 37.39519946 42.14286596 -30.98079491 15.67142661 27.97012693 Cd 41.05897848 39.30399541 43.59136491 -88.79811372 -1.53457706 51.53424358 Cd 35.02646854 39.54220907 40.44758804 -45.59065922 10.16011380 34.02590163 Te 36.09393113 41.38423686 41.37245546 -7.47721233 0.18065203 -42.35501040 Te 37.45000889 42.20925024 40.06189841 -1.82879913 -18.45008117 -12.09822732 Te 38.57669840 43.32683866 40.92605562 22.57499206 30.87251275 14.39064223 Te 37.03916316 40.39804483 42.20270003 44.75937189 -39.90601612 40.67945730 Cd 39.56119828 41.78923189 43.75152793 -24.69735058 -67.90262824 49.76181551 Cd 34.96959328 42.25512234 42.08435622 -50.40401506 39.86858800 30.22662549 Cd 36.84521850 43.54019683 43.98080584 0.21525215 0.63490613 0.87859325 Cd 40.40985097 39.59845996 40.14534720 34.87819998 31.62237909 -13.05683893 Cd 41.45357008 41.69132801 41.00058087 -12.09163554 -2.05467539 6.42262824 Cd 43.41008714 42.02564792 40.08901493 15.90623644 11.04041997 110.36206480 Te 43.31164451 43.76879370 40.92420956 1.90054911 28.04272992 13.90018384 Cd 42.38465067 39.39311713 42.92226929 62.59111317 0.40890653 -33.27531658 Te 43.65551208 40.96830078 43.41868085 12.00628151 17.75889115 7.69956657 Cd 39.96756783 42.99135582 42.84836566 -49.24561761 -6.44291535 -82.58860035 Te 40.89981165 43.88412559 43.39634390 77.53328197 75.68847120 43.70733493