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{
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{
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{
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"structure_string": "Te7 Mo8 S9\n1.0\n-1.842386 -2.802569 -0.000059\n0.107490 -0.070510 14.266992\n-7.719368 9.088451 -0.102039\nTe Mo S\n7 8 9\ndirect\n0.812428 0.606972 0.812439 Te\n0.039163 0.600069 0.539182 Te\n0.544293 0.893469 0.044278 Te\n0.453155 0.400629 0.953139 Te\n0.320946 0.886149 0.320935 Te\n0.179846 0.119176 0.179855 Te\n0.955003 0.110804 0.455015 Te\n0.364426 0.243916 0.364424 Mo\n0.857513 0.266597 0.857512 Mo\n0.887469 0.745846 0.387474 Mo\n0.117688 0.253064 0.617691 Mo\n0.386837 0.747209 0.886832 Mo\n0.612291 0.258915 0.112285 Mo\n0.137561 0.761182 0.137562 Mo\n0.636445 0.733495 0.636445 Mo\n0.292087 0.648201 0.292104 S\n0.208415 0.356915 0.208396 S\n0.560310 0.654809 0.060322 S\n0.946261 0.349095 0.446247 S\n0.064115 0.839865 0.564106 S\n0.702764 0.149810 0.702777 S\n0.688050 0.365593 0.688037 S\n0.796517 0.845377 0.796500 S\n0.436440 0.162837 0.936448 S\n",
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{
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"updated_at": "2022-09-04T14:38:03.254993Z",
"structure_string": "Te7 Mo6 S5\n1.0\n3.405706 -0.199583 0.000487\n-0.002172 -0.066560 -13.938392\n-1.191818 8.826107 0.035630\nTe Mo S\n7 6 5\ndirect\n0.914707 0.897288 0.829451 Te\n0.245525 0.625548 0.491123 Te\n0.236927 0.891062 0.473888 Te\n0.754032 0.377537 0.508004 Te\n0.089771 0.098261 0.179505 Te\n0.569190 0.611192 0.138468 Te\n0.430984 0.383505 0.861865 Te\n0.126500 0.749643 0.253052 Mo\n0.869815 0.247492 0.739556 Mo\n0.464033 0.755590 0.928119 Mo\n0.202954 0.237488 0.405887 Mo\n0.800648 0.761067 0.601332 Mo\n0.535974 0.238171 0.071901 Mo\n0.092778 0.340588 0.185484 S\n0.907471 0.653333 0.815012 S\n0.420771 0.140890 0.841472 S\n0.576154 0.854898 0.152346 S\n0.761779 0.136445 0.523542 S\n",
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{
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"structure_string": "Te7 Mo6 S5\n1.0\n3.404340 -0.199384 0.000521\n1.191360 -8.821063 -0.154167\n1.519645 -3.260226 -13.996571\nTe Mo S\n7 6 5\ndirect\n0.613190 0.875673 0.897893 Te\n0.726138 0.450258 0.097518 Te\n0.031324 0.314902 0.622468 Te\n0.938915 0.231687 0.890434 Te\n0.356506 0.673489 0.613538 Te\n0.978839 0.660997 0.381308 Te\n0.300573 0.018570 0.380252 Te\n0.873024 0.504548 0.749409 Mo\n0.794447 0.172562 0.238543 Mo\n0.207006 0.829015 0.756978 Mo\n0.128370 0.506567 0.236691 Mo\n0.542686 0.154673 0.759937 Mo\n0.457684 0.836793 0.247857 Mo\n0.289375 0.566148 0.855079 S\n0.683250 0.979608 0.653929 S\n0.384377 0.093879 0.137392 S\n0.042190 0.774999 0.140671 S\n0.652118 0.355627 0.340103 S\n",
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{
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"updated_at": "2022-09-04T14:38:35.038015Z",
"structure_string": "Te7 Mo6 S5\n1.0\n1.874620 2.850214 -0.000072\n-0.057926 0.037903 -13.937560\n-6.365935 6.228932 -0.042247\nTe Mo S\n7 6 5\ndirect\n0.247857 0.897270 0.504220 Te\n0.902205 0.611216 0.195538 Te\n0.764625 0.383483 0.470804 Te\n0.423282 0.098278 0.153514 Te\n0.578475 0.625517 0.842984 Te\n0.570093 0.891064 0.859728 Te\n0.087747 0.377560 0.824543 Te\n0.459575 0.749673 0.080802 Mo\n0.203402 0.247454 0.593252 Mo\n0.133705 0.761035 0.732527 Mo\n0.869571 0.238196 0.260911 Mo\n0.797106 0.755574 0.405739 Mo\n0.536545 0.237520 0.926944 Mo\n0.426431 0.340637 0.147189 S\n0.240481 0.653298 0.518997 S\n0.095292 0.136448 0.809468 S\n0.909273 0.854925 0.181388 S\n0.754319 0.140854 0.491447 S\n",
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"structure_string": "Te7 Mo6 S5\n1.0\n-1.874302 -2.849931 -0.000011\n6.390096 -6.244171 0.167615\n-1.261188 2.870740 13.971628\nTe Mo S\n7 6 5\ndirect\n0.466773 0.173886 0.107464 Te\n0.915761 0.560035 0.391563 Te\n0.516615 0.844011 0.877225 Te\n0.232861 0.914506 0.380250 Te\n0.148496 0.819858 0.116877 Te\n0.427398 0.762011 0.616798 Te\n0.197819 0.491727 0.887332 Te\n0.308337 0.639298 0.256000 Mo\n0.700481 0.347448 0.748384 Mo\n0.629400 0.985429 0.244273 Mo\n0.035461 0.678599 0.749479 Mo\n0.968157 0.311664 0.248012 Mo\n0.354092 0.035111 0.743265 Mo\n0.107311 0.430284 0.644883 S\n0.560787 0.228763 0.350363 S\n0.846815 0.159561 0.853175 S\n0.820545 0.509065 0.150168 S\n0.762876 0.108747 0.634489 S\n",
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"formula_anonymous": "A5B6C7",
"energy_above_hull": 3.5890427648148147,
"spacegroup": 8
}
]
}