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{
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"structure_string": "Cu12 P16 S12 I12\n1.0\n19.401405 0.000000 0.000000\n0.000000 10.115722 0.000000\n0.000000 0.000000 7.099910\nCu I P S\n12 12 16 12\ndirect\n0.132416 0.250000 0.038163 Cu\n0.317593 0.517834 0.040837 Cu\n0.317593 0.982166 0.040837 Cu\n0.817593 0.517834 0.459163 Cu\n0.817593 0.982166 0.459163 Cu\n0.632416 0.250000 0.461837 Cu\n0.367584 0.750000 0.538163 Cu\n0.182407 0.017834 0.540837 Cu\n0.182407 0.482166 0.540837 Cu\n0.682407 0.017834 0.959163 Cu\n0.682407 0.482166 0.959163 Cu\n0.867584 0.750000 0.961837 Cu\n0.359057 0.750000 0.170432 I\n0.193071 0.037220 0.173791 I\n0.193071 0.462780 0.173791 I\n0.693071 0.037220 0.326209 I\n0.693071 0.462780 0.326209 I\n0.859057 0.750000 0.329568 I\n0.140943 0.250000 0.670432 I\n0.306929 0.537220 0.673791 I\n0.306929 0.962780 0.673791 I\n0.806929 0.537220 0.826209 I\n0.806929 0.962780 0.826209 I\n0.640943 0.250000 0.829568 I\n0.854476 0.250000 0.078614 P\n0.022786 0.250000 0.125377 P\n0.386737 0.136720 0.161609 P\n0.386737 0.363280 0.161609 P\n0.886737 0.136720 0.338391 P\n0.886737 0.363280 0.338391 P\n0.522786 0.250000 0.374623 P\n0.354476 0.250000 0.421386 P\n0.645524 0.750000 0.578614 P\n0.477214 0.750000 0.625377 P\n0.113263 0.636720 0.661609 P\n0.113263 0.863280 0.661609 P\n0.613263 0.636720 0.838391 P\n0.613263 0.863280 0.838391 P\n0.977214 0.750000 0.874623 P\n0.145524 0.750000 0.921386 P\n0.055337 0.750000 0.083870 S\n0.490647 0.088645 0.206090 S\n0.490647 0.411355 0.206090 S\n0.990647 0.088645 0.293910 S\n0.990647 0.411355 0.293910 S\n0.555337 0.750000 0.416130 S\n0.444663 0.250000 0.583870 S\n0.009353 0.588645 0.706090 S\n0.009353 0.911355 0.706090 S\n0.509353 0.588645 0.793910 S\n0.509353 0.911355 0.793910 S\n0.944663 0.250000 0.916130 S\n",
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{
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"structure_string": "Ba14 Fe12 S28\n1.0\n0.000000 8.251750 0.000000\n12.852551 -4.125875 -0.001663\n-5.576704 -4.125875 -13.130424\nBa Fe S\n14 12 28\ndirect\n0.850997 0.054064 0.075155 Ba\n0.269560 0.487709 0.124928 Ba\n0.515672 0.882572 0.233569 Ba\n0.570686 0.250000 0.250000 Ba\n0.899531 0.617429 0.266430 Ba\n0.156923 0.012291 0.375072 Ba\n0.221778 0.445937 0.424845 Ba\n0.778222 0.554063 0.575155 Ba\n0.843077 0.987709 0.624928 Ba\n0.100469 0.382571 0.733569 Ba\n0.429314 0.750000 0.750000 Ba\n0.484328 0.117428 0.766430 Ba\n0.730440 0.512291 0.875072 Ba\n0.149004 0.945936 0.924845 Ba\n0.615200 0.744207 0.014278 Fe\n0.756155 0.323077 0.049516 Fe\n0.997282 0.810513 0.087512 Fe\n0.599256 0.689487 0.412488 Fe\n0.883561 0.176922 0.450483 Fe\n0.356714 0.755792 0.485723 Fe\n0.643286 0.244208 0.514278 Fe\n0.116439 0.823078 0.549517 Fe\n0.400744 0.310513 0.587512 Fe\n0.002719 0.189487 0.912488 Fe\n0.243844 0.676922 0.950483 Fe\n0.384800 0.255792 0.985722 Fe\n0.540420 0.142653 0.000754 S\n0.601136 0.436869 0.048692 S\n0.110587 0.670736 0.069400 S\n0.203191 0.226055 0.075785 S\n0.220467 0.990130 0.164900 S\n0.811427 0.795485 0.178886 S\n0.946061 0.384112 0.211230 S\n0.850718 0.115888 0.288770 S\n0.337056 0.704514 0.321114 S\n0.565437 0.509871 0.335100 S\n0.401352 0.273945 0.424216 S\n0.870451 0.829265 0.430600 S\n0.615575 0.063131 0.451308 S\n0.897012 0.357347 0.499246 S\n0.102987 0.642653 0.500754 S\n0.384425 0.936869 0.548692 S\n0.129549 0.170735 0.569400 S\n0.598649 0.726056 0.575784 S\n0.434563 0.490129 0.664900 S\n0.662944 0.295486 0.678886 S\n0.149282 0.884113 0.711231 S\n0.053939 0.615888 0.788770 S\n0.188572 0.204514 0.821114 S\n0.779533 0.009871 0.835100 S\n0.796809 0.773944 0.924216 S\n0.889413 0.329265 0.930600 S\n0.398864 0.563131 0.951308 S\n0.459580 0.857347 0.999246 S\n",
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{
"id": "oqmd-1339386",
"created_at": "2022-09-04T15:46:06.853171Z",
"updated_at": "2022-09-04T15:46:06.853196Z",
"structure_string": "Mg40 Hg24\n1.0\n28.923755 0.000000 0.000000\n0.000000 3.560540 0.000000\n0.000000 0.000000 13.521836\nHg Mg\n24 40\ndirect\n0.276149 0.749999 0.015133 Hg\n0.428148 0.749999 0.065081 Hg\n0.928713 0.249999 0.084633 Hg\n0.146993 0.749999 0.218413 Hg\n0.795219 0.249999 0.247250 Hg\n0.555390 0.249999 0.249242 Hg\n0.055390 0.249999 0.250757 Hg\n0.295220 0.249999 0.252749 Hg\n0.646993 0.749999 0.281586 Hg\n0.428714 0.249999 0.415366 Hg\n0.928148 0.749999 0.434919 Hg\n0.776149 0.749999 0.484866 Hg\n0.223851 0.249999 0.515133 Hg\n0.071852 0.249999 0.565081 Hg\n0.571286 0.749999 0.584634 Hg\n0.353007 0.249999 0.718414 Hg\n0.704781 0.749999 0.747251 Hg\n0.944610 0.749999 0.749242 Hg\n0.444610 0.749999 0.750757 Hg\n0.204780 0.749999 0.752749 Hg\n0.853007 0.249999 0.781586 Hg\n0.071286 0.749999 0.915366 Hg\n0.571852 0.249999 0.934919 Hg\n0.723851 0.249999 0.984866 Hg\n0.822485 0.249999 0.044823 Mg\n0.104989 0.249999 0.066109 Mg\n0.531780 0.749999 0.082112 Mg\n0.350445 0.249999 0.082143 Mg\n0.010701 0.749999 0.100169 Mg\n0.634067 0.249999 0.109418 Mg\n0.215500 0.249999 0.131670 Mg\n0.728805 0.749999 0.156144 Mg\n0.460224 0.249999 0.214622 Mg\n0.874846 0.749999 0.218297 Mg\n0.374847 0.749999 0.281702 Mg\n0.960225 0.249999 0.285378 Mg\n0.228805 0.749999 0.343855 Mg\n0.715500 0.249999 0.368329 Mg\n0.134067 0.249999 0.390582 Mg\n0.510701 0.749999 0.399830 Mg\n0.850445 0.249999 0.417856 Mg\n0.031780 0.749999 0.417888 Mg\n0.604990 0.249999 0.433891 Mg\n0.322485 0.249999 0.455176 Mg\n0.677515 0.749999 0.544823 Mg\n0.395011 0.749999 0.566109 Mg\n0.968220 0.249999 0.582112 Mg\n0.149555 0.749999 0.582144 Mg\n0.489300 0.249999 0.600169 Mg\n0.865933 0.749999 0.609418 Mg\n0.284500 0.749999 0.631670 Mg\n0.771195 0.249999 0.656145 Mg\n0.039776 0.749999 0.714622 Mg\n0.625154 0.249999 0.718297 Mg\n0.125154 0.249999 0.781702 Mg\n0.539776 0.749999 0.785378 Mg\n0.271195 0.249999 0.843855 Mg\n0.784500 0.749999 0.868330 Mg\n0.365933 0.749999 0.890582 Mg\n0.989300 0.249999 0.899830 Mg\n0.649555 0.749999 0.917856 Mg\n0.468220 0.249999 0.917888 Mg\n0.895011 0.749999 0.933891 Mg\n0.177515 0.749999 0.955176 Mg\n",
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{
"id": "oqmd-1206515",
"created_at": "2022-09-04T15:38:38.382940Z",
"updated_at": "2022-09-04T15:38:38.382974Z",
"structure_string": "In20 Te20 Pd2\n1.0\n8.166283 0.000000 0.000000\n0.000000 12.810910 0.000000\n0.000000 0.000000 13.295890\nIn Pd Te\n20 2 20\ndirect\n0.228279 0.000000 0.000000 In\n0.771722 0.000000 0.000000 In\n0.260498 0.389112 0.088554 In\n0.739502 0.389112 0.088554 In\n0.500000 0.657033 0.137216 In\n0.000000 0.652756 0.222118 In\n0.000000 0.152757 0.277883 In\n0.500000 0.157033 0.362784 In\n0.260498 0.889112 0.411446 In\n0.739502 0.889112 0.411446 In\n0.228279 0.500000 0.500000 In\n0.771722 0.500000 0.500000 In\n0.260498 0.110888 0.588554 In\n0.739502 0.110888 0.588554 In\n0.500000 0.842967 0.637216 In\n0.000000 0.847244 0.722117 In\n0.000000 0.347243 0.777883 In\n0.500000 0.342967 0.862784 In\n0.260498 0.610889 0.911446 In\n0.739502 0.610889 0.911446 In\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.725849 0.027260 Te\n0.500000 0.885018 0.119150 Te\n0.292651 0.172742 0.172740 Te\n0.707351 0.172742 0.172740 Te\n0.000000 0.432019 0.233505 Te\n0.000000 0.932019 0.266495 Te\n0.292651 0.672742 0.327260 Te\n0.707351 0.672742 0.327260 Te\n0.500000 0.385019 0.380850 Te\n0.000000 0.225849 0.472739 Te\n0.000000 0.774150 0.527261 Te\n0.500000 0.614981 0.619151 Te\n0.292651 0.327258 0.672740 Te\n0.707351 0.327258 0.672740 Te\n0.000000 0.067982 0.733506 Te\n0.000000 0.567982 0.766495 Te\n0.292651 0.827258 0.827259 Te\n0.707351 0.827258 0.827259 Te\n0.500000 0.114982 0.880850 Te\n0.000000 0.274151 0.972739 Te\n",
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{
"id": "oqmd-12027",
"created_at": "2022-09-04T15:18:03.043946Z",
"updated_at": "2022-09-04T15:18:03.043968Z",
"structure_string": "Cs20 Ge4 P12\n1.0\n14.465266 0.000000 0.000000\n0.000000 6.011991 0.000000\n0.000000 0.000000 15.981848\nCs Ge P\n20 4 12\ndirect\n0.649208 0.749999 0.047198 Cs\n0.060864 0.250000 0.051010 Cs\n0.542753 0.250000 0.144966 Cs\n0.886434 0.749999 0.187490 Cs\n0.270269 0.250000 0.208946 Cs\n0.770269 0.250000 0.291055 Cs\n0.386435 0.749999 0.312510 Cs\n0.042753 0.250000 0.355033 Cs\n0.560864 0.250000 0.448989 Cs\n0.149208 0.749999 0.452802 Cs\n0.850793 0.250000 0.547198 Cs\n0.439136 0.749999 0.551011 Cs\n0.957247 0.749999 0.644967 Cs\n0.613566 0.250000 0.687491 Cs\n0.229730 0.749999 0.708946 Cs\n0.729730 0.749999 0.791054 Cs\n0.113565 0.250000 0.812510 Cs\n0.457247 0.749999 0.855034 Cs\n0.939137 0.749999 0.948990 Cs\n0.350792 0.250000 0.952802 Cs\n0.239304 0.749999 0.064270 Ge\n0.739304 0.749999 0.435730 Ge\n0.260696 0.250000 0.564270 Ge\n0.760696 0.250000 0.935730 Ge\n0.806238 0.250000 0.072909 P\n0.395734 0.749999 0.088314 P\n0.133951 0.749999 0.171192 P\n0.633951 0.749999 0.328808 P\n0.895734 0.749999 0.411686 P\n0.306238 0.250000 0.427091 P\n0.693763 0.749999 0.572909 P\n0.104266 0.250000 0.588314 P\n0.366049 0.250000 0.671192 P\n0.866049 0.250000 0.828808 P\n0.604266 0.250000 0.911686 P\n0.193762 0.749999 0.927091 P\n",
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{
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"structure_string": "Ge32 S32\n1.0\n7.890653 4.555671 6.442691\n-7.890653 4.555671 6.442691\n0.000000 -9.111341 6.442691\nGe S\n32 32\ndirect\n0.266166 0.027863 0.026283 Ge\n0.026283 0.266166 0.027863 Ge\n0.463179 0.753318 0.029502 Ge\n0.246682 0.529502 0.036820 Ge\n0.775683 0.275683 0.224317 Ge\n0.727262 0.772737 0.227263 Ge\n0.972138 0.526282 0.233834 Ge\n0.529502 0.036820 0.246682 Ge\n0.470497 0.536821 0.253318 Ge\n0.027863 0.026283 0.266166 Ge\n0.272738 0.272738 0.272738 Ge\n0.224317 0.775683 0.275683 Ge\n0.753318 0.029502 0.463179 Ge\n0.536821 0.253318 0.470497 Ge\n0.973717 0.766166 0.472137 Ge\n0.733835 0.527863 0.473718 Ge\n0.233834 0.972138 0.526282 Ge\n0.473718 0.733835 0.527863 Ge\n0.036820 0.246682 0.529502 Ge\n0.253318 0.470497 0.536821 Ge\n0.724317 0.724317 0.724317 Ge\n0.772737 0.227263 0.727262 Ge\n0.527863 0.473718 0.733835 Ge\n0.970498 0.963179 0.746682 Ge\n0.029502 0.463179 0.753318 Ge\n0.472137 0.973717 0.766166 Ge\n0.227263 0.727262 0.772737 Ge\n0.275683 0.224317 0.775683 Ge\n0.746682 0.970498 0.963179 Ge\n0.963179 0.746682 0.970498 Ge\n0.526282 0.233834 0.972138 Ge\n0.766166 0.472137 0.973717 Ge\n0.538222 0.961778 0.038222 S\n0.050581 0.050581 0.050581 S\n0.240277 0.309764 0.057559 S\n0.253011 0.809554 0.058422 S\n0.942442 0.740277 0.190236 S\n0.558422 0.246988 0.190446 S\n0.309764 0.057559 0.240277 S\n0.190446 0.558422 0.246988 S\n0.809554 0.058422 0.253011 S\n0.690236 0.557559 0.259723 S\n0.441578 0.746989 0.309554 S\n0.057559 0.240277 0.309764 S\n0.746989 0.309554 0.441578 S\n0.759723 0.809764 0.442441 S\n0.949419 0.550582 0.449418 S\n0.461778 0.461778 0.461778 S\n0.961778 0.038222 0.538222 S\n0.449418 0.949419 0.550582 S\n0.259723 0.690236 0.557559 S\n0.246988 0.190446 0.558422 S\n0.557559 0.259723 0.690236 S\n0.941578 0.753012 0.690446 S\n0.190236 0.942442 0.740277 S\n0.309554 0.441578 0.746989 S\n0.690446 0.941578 0.753012 S\n0.809764 0.442441 0.759723 S\n0.058422 0.253011 0.809554 S\n0.442441 0.759723 0.809764 S\n0.753012 0.690446 0.941578 S\n0.740277 0.190236 0.942442 S\n0.550582 0.449418 0.949419 S\n0.038222 0.538222 0.961778 S\n",
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{
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"structure_string": "In20 Te20 Pd2\n1.0\n8.160292 0.000000 0.000000\n0.000000 12.806848 0.000000\n0.000000 0.000000 13.295509\nIn Pd Te\n20 2 20\ndirect\n0.228014 0.000000 0.000000 In\n0.771986 0.000000 0.000000 In\n0.260491 0.389150 0.088534 In\n0.739510 0.389150 0.088534 In\n0.500000 0.657026 0.137144 In\n0.000000 0.652699 0.222153 In\n0.000000 0.152700 0.277846 In\n0.500000 0.157026 0.362856 In\n0.260491 0.889149 0.411466 In\n0.739510 0.889149 0.411466 In\n0.228014 0.500000 0.500000 In\n0.771986 0.500000 0.500000 In\n0.260491 0.110851 0.588534 In\n0.739510 0.110851 0.588534 In\n0.500000 0.842974 0.637144 In\n0.000000 0.847301 0.722153 In\n0.000000 0.347300 0.777847 In\n0.500000 0.342974 0.862855 In\n0.260491 0.610851 0.911466 In\n0.739510 0.610851 0.911466 In\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.725606 0.027321 Te\n0.500000 0.885021 0.118906 Te\n0.292509 0.172737 0.172795 Te\n0.707491 0.172737 0.172795 Te\n0.000000 0.431992 0.233554 Te\n0.000000 0.931993 0.266446 Te\n0.292509 0.672738 0.327204 Te\n0.707491 0.672738 0.327204 Te\n0.500000 0.385021 0.381093 Te\n0.000000 0.225605 0.472679 Te\n0.000000 0.774395 0.527321 Te\n0.500000 0.614980 0.618907 Te\n0.292509 0.327262 0.672795 Te\n0.707491 0.327262 0.672795 Te\n0.000000 0.068007 0.733554 Te\n0.000000 0.568007 0.766445 Te\n0.292509 0.827261 0.827205 Te\n0.707491 0.827261 0.827205 Te\n0.500000 0.114980 0.881092 Te\n0.000000 0.274395 0.972680 Te\n",
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