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{
"id": "jvasp-45853",
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{
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"structure_string": "Li6 V2 F12\n1.0\n4.264514 2.462119 3.345815\n-4.264515 2.462118 3.345815\n0.000000 -4.924237 3.345815\nLi V F\n6 2 12\ndirect\n0.060198 0.555087 0.251341 Li\n0.444914 0.748660 0.939804 Li\n0.748661 0.939803 0.444914 Li\n0.251341 0.060198 0.555088 Li\n0.555087 0.251341 0.060198 Li\n0.939803 0.444914 0.748660 Li\n0.500001 0.500001 0.500001 V\n0.000000 0.000000 0.000000 V\n0.549781 0.192691 0.394535 F\n0.305439 0.086777 0.924674 F\n0.807311 0.605466 0.450220 F\n0.605466 0.450220 0.807311 F\n0.394535 0.549781 0.192691 F\n0.075328 0.694562 0.913224 F\n0.694563 0.913224 0.075327 F\n0.450220 0.807310 0.605466 F\n0.924674 0.305439 0.086777 F\n0.086778 0.924674 0.305439 F\n0.192691 0.394535 0.549782 F\n0.913224 0.075328 0.694563 F\n",
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{
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"updated_at": "2022-09-04T14:37:14.994718Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n4.651490 0.115327 1.721861\n2.535370 4.367645 0.020918\n0.227801 -0.140045 6.957904\nCd H C O\n1 4 4 4\ndirect\n0.984160 0.868405 0.279202 Cd\n0.201228 -0.007536 0.587959 H\n0.369553 0.085083 0.740322 H\n0.766017 0.199820 0.967016 H\n0.606545 0.465517 0.816817 H\n0.219117 0.400683 0.540499 C\n0.165959 0.189156 0.685621 C\n0.809380 0.362558 0.871923 C\n0.765492 0.615063 0.019895 C\n0.517807 0.333543 0.409789 O\n0.949209 0.648944 0.553937 O\n0.040800 0.578659 0.016499 O\n0.471976 0.850765 0.142013 O\n",
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{
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"structure_string": "H12 C20 S4 O2\n1.0\n4.617675 -0.059931 -0.211900\n-0.732955 7.979484 -2.631492\n0.041930 -0.056705 10.899187\nH C S O\n12 20 4 2\ndirect\n0.647040 0.872927 0.838568 H\n0.907156 0.013152 0.319453 H\n0.948185 0.092561 0.595130 H\n0.448186 0.092561 0.095131 H\n0.740187 0.571689 0.843069 H\n0.240187 0.571689 0.343069 H\n0.407157 0.013151 0.819453 H\n0.837837 0.343751 0.219411 H\n0.117411 0.828206 0.973410 H\n0.617410 0.828206 0.473410 H\n0.147041 0.872927 0.338568 H\n0.337837 0.343750 0.719411 H\n0.834913 0.071780 0.782074 C\n0.341413 0.440016 0.017900 C\n0.841412 0.440016 0.517900 C\n0.084341 0.941741 0.272139 C\n0.584340 0.941741 0.772139 C\n0.199924 0.314446 0.901175 C\n0.699924 0.314446 0.401175 C\n0.941912 0.810884 0.151904 C\n0.441912 0.810883 0.651905 C\n0.334914 0.071781 0.282074 C\n0.696780 0.276047 0.267749 C\n0.080523 0.569060 0.528618 C\n0.196780 0.276047 0.767749 C\n0.960443 0.765923 0.019201 C\n0.460443 0.765922 0.519201 C\n0.986848 0.138162 0.700190 C\n0.486847 0.138162 0.200190 C\n0.754948 0.627220 0.948329 C\n0.254949 0.627220 0.448329 C\n0.580522 0.569060 0.028617 C\n0.174592 0.683257 0.690177 S\n0.674591 0.683257 0.190177 S\n0.448234 0.178124 0.442465 S\n0.948234 0.178124 0.942465 S\n0.745287 0.435345 0.623787 O\n0.245287 0.435345 0.123787 O\n",
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{
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"created_at": "2022-09-04T14:38:34.307182Z",
"updated_at": "2022-09-04T14:38:34.307210Z",
"structure_string": "Ti2 Mn6 O16\n1.0\n2.853628 -4.942630 -0.000000\n2.853628 4.942630 -0.000000\n-0.000000 0.000000 8.967880\nTi Mn O\n2 6 16\ndirect\n0.666667 0.333333 0.504722 Ti\n0.333333 0.666667 0.004722 Ti\n0.335894 0.167947 0.786684 Mn\n0.832054 0.664106 0.786684 Mn\n0.832054 0.167947 0.786684 Mn\n0.167947 0.832054 0.286684 Mn\n0.167947 0.335894 0.286684 Mn\n0.664106 0.832054 0.286684 Mn\n0.165259 0.330518 0.899441 O\n0.333333 0.666667 0.397228 O\n0.481102 0.962204 0.166442 O\n0.037796 0.518898 0.166442 O\n0.834741 0.165259 0.399441 O\n0.165259 0.834741 0.899441 O\n0.962204 0.481102 0.666442 O\n0.000000 0.000000 0.682508 O\n0.834741 0.669482 0.399441 O\n0.000000 0.000000 0.182508 O\n0.481102 0.518898 0.166442 O\n0.666667 0.333333 0.897228 O\n0.518898 0.481102 0.666442 O\n0.330518 0.165259 0.399441 O\n0.518898 0.037796 0.666442 O\n0.669482 0.834741 0.899441 O\n",
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"structure_string": "Mn6 B4 O12\n1.0\n4.669829 -0.000000 0.000000\n-0.000000 5.684841 0.000000\n0.000000 0.000000 8.735194\nMn B O\n6 4 12\ndirect\n0.000000 0.500000 0.810696 Mn\n0.500000 0.000000 0.689303 Mn\n0.000000 0.500000 0.189303 Mn\n0.500000 0.000000 0.310696 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.037599 0.241916 0.500000 B\n0.462401 0.741916 0.000000 B\n0.962402 0.758084 0.500000 B\n0.537599 0.258084 0.000000 B\n0.749041 0.682008 0.000000 O\n0.249041 0.817992 0.500000 O\n0.750960 0.182008 0.500000 O\n0.250959 0.317992 0.000000 O\n0.188280 0.286734 0.635350 O\n0.311720 0.786734 0.135351 O\n0.688280 0.213266 0.864649 O\n0.311720 0.786734 0.864649 O\n0.811721 0.713266 0.364649 O\n0.688280 0.213266 0.135351 O\n0.811721 0.713266 0.635350 O\n0.188280 0.286734 0.364649 O\n",
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"structure_string": "Nb1 N1\n1.0\n2.762486 0.000000 0.000000\n-0.000000 2.762486 0.000000\n-0.000000 -0.000000 2.762486\nNb N\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500001 0.500001 0.500001 N\n",
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{
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"structure_string": "Co6 Sb2 O16\n1.0\n5.666636 -0.000018 -0.000009\n-2.833334 4.907478 0.000018\n0.000112 -0.000196 9.097172\nCo Sb O\n6 2 16\ndirect\n0.168559 0.831544 0.213987 Co\n0.168553 0.337030 0.213986 Co\n0.663066 0.831542 0.213996 Co\n0.336935 0.168475 0.713996 Co\n0.831442 0.662984 0.713987 Co\n0.831448 0.168476 0.713986 Co\n0.333296 0.666660 0.493096 Sb\n0.666704 0.333364 0.993096 Sb\n0.842710 0.685328 0.101239 O\n0.666595 0.333305 0.610292 O\n0.515050 0.030164 0.832721 O\n0.515056 0.484897 0.832718 O\n0.685233 0.842623 0.601250 O\n0.314768 0.157391 0.101251 O\n0.484950 0.515112 0.332722 O\n0.000060 0.000042 0.310647 O\n0.157295 0.314690 0.601233 O\n-0.000061 -0.000019 0.810647 O\n0.969806 0.484913 0.832694 O\n0.333406 0.666710 0.110293 O\n0.030194 0.515108 0.332694 O\n0.157291 0.842618 0.601239 O\n0.484945 0.969843 0.332718 O\n0.842706 0.157395 0.101233 O\n",
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"structure_string": "Be2 Cr1 Ge1\n1.0\n-1.670632 1.670632 3.777141\n1.670632 -1.670632 3.777141\n1.670632 1.670632 -3.777141\nBe Cr Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Cr\n0.749999 0.250000 0.499999 Ge\n",
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]
}