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{
"id": "jvasp-16358",
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{
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"structure_string": "Sc8 Fe16\n1.0\n4.875802 -0.000000 0.000000\n-2.437901 4.222569 0.000000\n-0.000000 -0.000000 15.950351\nSc Fe\n8 16\ndirect\n0.000000 0.000000 0.406567 Sc\n0.000000 0.000000 0.593433 Sc\n0.000000 0.000000 0.906567 Sc\n0.000000 0.000000 0.093433 Sc\n0.333333 0.666667 0.655999 Sc\n0.666667 0.333333 0.344001 Sc\n0.666667 0.333333 0.155999 Sc\n0.333333 0.666667 0.844001 Sc\n0.835437 0.164562 0.750000 Fe\n0.670875 0.835438 0.250000 Fe\n0.164562 0.329125 0.250000 Fe\n0.164563 0.835438 0.250000 Fe\n0.000000 0.500000 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.333333 0.666667 0.125066 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.835438 0.670876 0.750000 Fe\n0.666667 0.333333 0.874934 Fe\n0.666667 0.333333 0.625066 Fe\n0.333333 0.666667 0.374934 Fe\n0.000000 0.500000 0.500000 Fe\n0.329125 0.164562 0.750000 Fe\n",
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{
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"updated_at": "2022-09-04T14:38:02.509866Z",
"structure_string": "Mg2 V3 O8\n1.0\n4.566973 -0.046204 -1.512195\n-0.843268 5.011850 -2.699884\n-0.110809 -0.073183 6.032191\nMg V O\n2 3 8\ndirect\n0.665762 0.733389 0.466774 Mg\n0.334236 0.266614 0.533227 Mg\n0.499999 0.999999 0.000001 V\n0.999998 0.710499 0.000001 V\n0.999998 0.289503 0.000001 V\n0.083084 0.385160 0.770321 O\n0.916915 0.614841 0.229681 O\n0.090660 0.895940 0.791880 O\n0.909339 0.104060 0.208121 O\n0.399847 0.346512 0.230356 O\n0.399847 0.883844 0.230357 O\n0.600153 0.116156 0.769645 O\n0.600152 0.653489 0.769645 O\n",
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{
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"structure_string": "Li3 Co2 Si2 O8\n1.0\n5.198678 0.017671 -0.002931\n0.149140 5.197417 0.012974\n0.052951 0.032016 6.316043\nLi Co Si O\n3 2 2 8\ndirect\n0.187530 0.187189 0.248861 Li\n0.685535 0.314402 0.499981 Li\n0.812912 0.812352 0.751164 Li\n0.182351 0.174237 0.758231 Co\n0.825869 0.817548 0.241722 Co\n0.673335 0.326572 0.999995 Si\n0.318946 0.681156 0.500012 Si\n0.799193 0.194407 0.218393 O\n0.805409 0.200651 0.781582 O\n0.364758 0.271022 0.997369 O\n0.287759 0.363172 0.507945 O\n0.729210 0.635032 0.002629 O\n0.637017 0.712082 0.492053 O\n0.186496 0.812044 0.289474 O\n0.188169 0.813657 0.710574 O\n",
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{
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.837271 -0.088768 -0.879872\n-2.354428 4.303460 0.361565\n0.061331 0.173679 9.580088\nLi Mn Co O\n7 2 3 12\ndirect\n0.755954 0.990543 0.267183 Li\n0.583873 0.658678 0.732592 Li\n0.433127 0.348903 0.267566 Li\n0.074723 0.658503 0.267412 Li\n0.915885 0.349095 0.732429 Li\n0.234712 0.990735 0.732824 Li\n0.833578 0.667133 0.500001 Li\n0.000573 0.001172 0.000005 Mn\n0.499953 -0.000105 0.500000 Mn\n0.333585 0.667195 0.000003 Co\n0.166450 0.332896 0.499999 Co\n0.666628 0.333284 -0.000008 Co\n0.630759 0.000534 0.892837 O\n0.036312 0.333347 0.107514 O\n0.870037 0.018605 0.615231 O\n0.703676 0.667387 0.109435 O\n0.369827 0.000649 0.107160 O\n0.225557 0.668597 0.614758 O\n0.520086 0.312674 0.614820 O\n0.443006 0.668507 0.385236 O\n0.296929 0.333235 0.892486 O\n0.148542 0.018520 0.384776 O\n0.792556 0.312588 0.385183 O\n0.963654 0.667324 0.890566 O\n",
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{
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"structure_string": "H20 I4 O24\n1.0\n4.976296 0.000000 -1.990501\n0.000000 18.354046 0.000000\n-0.081397 0.000000 4.843950\nH I O\n20 4 24\ndirect\n0.151856 0.497143 0.811743 H\n0.142005 0.282606 0.283686 H\n0.357996 0.782607 0.216315 H\n0.857996 0.717394 0.716315 H\n0.872257 0.131576 0.484703 H\n0.372257 0.368424 0.984703 H\n0.127743 0.868424 0.515297 H\n0.627744 0.631576 0.015298 H\n0.412215 0.198186 0.099244 H\n0.642005 0.217394 0.783686 H\n0.912215 0.301814 0.599244 H\n0.087785 0.698186 0.400757 H\n0.154455 0.057558 0.001664 H\n0.654455 0.442442 0.501664 H\n0.845546 0.942442 -0.001663 H\n0.345545 0.557559 0.498337 H\n0.348144 -0.002857 0.688257 H\n0.848145 0.502857 0.188258 H\n0.651856 0.002857 0.311743 H\n0.587785 0.801814 0.900757 H\n0.829371 0.378337 0.983781 I\n0.329371 0.121663 0.483781 I\n0.170629 0.621663 0.016220 I\n0.670629 0.878337 0.516220 I\n0.448187 0.824544 0.158903 O\n0.948187 0.675456 0.658903 O\n0.031527 0.167294 0.535977 O\n0.531528 0.332706 0.035977 O\n0.968473 0.832707 0.464023 O\n0.468472 0.667294 0.964023 O\n0.334901 0.208467 0.254455 O\n0.834901 0.291533 0.754456 O\n0.665099 0.791533 0.745545 O\n0.165099 0.708467 0.245545 O\n0.071528 0.069712 0.150038 O\n0.571528 0.430289 0.650038 O\n0.428472 0.569712 0.349962 O\n0.623421 0.081409 0.434910 O\n0.123420 0.418591 0.934910 O\n0.376579 0.918591 0.565090 O\n0.876580 0.581409 0.065091 O\n0.311227 0.047157 0.756967 O\n0.811228 0.452843 0.256967 O\n0.688773 0.952844 0.243034 O\n0.188772 0.547157 0.743033 O\n0.051813 0.324544 0.341097 O\n0.928472 0.930289 0.849963 O\n0.551813 0.175456 0.841098 O\n",
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{
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n7.137852 -0.004376 2.363873\n6.573328 2.782139 2.363873\n0.030364 0.006152 9.959905\nLi Mn Co O\n7 2 3 12\ndirect\n0.162385 0.162385 0.255497 Li\n0.838279 0.838277 0.735944 Li\n0.499364 0.499363 0.277783 Li\n0.171955 0.171954 0.743627 Li\n0.833463 0.833461 0.256009 Li\n0.495027 0.495026 0.729077 Li\n-0.004938 -0.004938 0.503981 Li\n0.000480 0.000480 0.000268 Mn\n0.663077 0.663075 0.496559 Mn\n0.666743 0.666741 0.001167 Co\n0.336069 0.336068 0.501023 Co\n0.333771 0.333770 -0.001230 Co\n0.753181 0.753179 0.609531 O\n0.244457 0.244456 0.895597 O\n0.907412 0.907410 0.387177 O\n0.579795 0.579793 0.889596 O\n0.246740 0.246739 0.388568 O\n0.914905 0.914903 0.890074 O\n0.592436 0.592434 0.379386 O\n0.093179 0.093179 0.613704 O\n0.755905 0.755904 0.104652 O\n0.409812 0.409810 0.620545 O\n0.085810 0.085810 0.110796 O\n0.420705 0.420704 0.110670 O\n",
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{
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"structure_string": "Li4 Cr3 Sn3 Sb2 O16\n1.0\n6.147617 -0.021813 0.033715\n-3.092700 5.356767 -0.000010\n0.052603 0.030356 10.106848\nLi Cr Sn Sb O\n4 3 3 2 16\ndirect\n0.345584 0.672807 0.891477 Li\n0.977576 0.988798 0.991164 Li\n0.980697 0.990357 0.499888 Li\n0.669474 0.334747 0.397357 Li\n0.661427 0.830725 0.215451 Cr\n0.832331 0.661927 0.717082 Cr\n0.832330 0.170427 0.717081 Cr\n0.167884 0.336105 0.215753 Sn\n0.335745 0.167884 0.716401 Sn\n0.167887 0.831807 0.215754 Sn\n0.345146 0.672584 0.506042 Sb\n0.679874 0.339950 0.988910 Sb\n0.305526 0.152771 0.093724 O\n0.840804 0.699023 0.103228 O\n0.678238 0.339128 0.611259 O\n0.526649 0.032377 0.833351 O\n0.526651 0.494299 0.833352 O\n0.693463 0.846740 0.613711 O\n0.497365 0.522269 0.325840 O\n0.017976 0.509003 0.331686 O\n0.143951 0.303076 0.602296 O\n0.987662 0.993845 0.813044 O\n0.987045 0.993538 0.318450 O\n0.344356 0.672185 0.103779 O\n0.972258 0.486142 0.820392 O\n0.143949 0.840895 0.602296 O\n0.497363 0.975119 0.325843 O\n0.840798 0.141799 0.103229 O\n",
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