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{
"id": "jvasp-85506",
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"structure_string": "Si4 H4 O10\n1.0\n-2.966908 7.440828 2.497535\n2.966908 -7.440828 2.497535\n3.035813 7.472229 -2.497535\nSi H O\n4 4 10\ndirect\n0.573208 0.073589 0.690707 Si\n0.382882 0.882501 0.309292 Si\n0.858083 0.055885 0.007649 Si\n0.048236 0.850433 -0.007649 Si\n0.426302 0.550768 0.441571 H\n0.109196 -0.015272 0.558428 H\n0.754422 0.889108 0.678151 H\n0.210957 0.076271 0.321849 H\n0.246082 0.017088 0.435192 O\n0.581897 0.810890 0.564808 O\n0.853334 0.460931 0.887966 O\n0.572967 0.965368 0.112034 O\n0.589570 0.089569 0.500000 O\n0.285057 0.955168 0.815516 O\n0.845852 0.845852 0.000000 O\n0.872808 0.936763 0.738557 O\n0.139652 0.469541 0.184484 O\n0.198205 0.134249 0.261442 O\n",
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{
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"structure_string": "U1 H2 O4\n1.0\n2.950206 2.957443 -0.002935\n0.633480 2.323612 5.596049\n3.540671 -0.575356 6.277473\nU H O\n1 2 4\ndirect\n0.989044 0.046634 0.953037 U\n0.419978 0.578295 0.948450 H\n0.947073 0.514969 0.957629 H\n0.170394 0.699350 0.933560 O\n0.803648 0.393913 0.972512 O\n0.484790 0.046638 0.953031 O\n0.989620 0.546634 0.453037 O\n",
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{
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"structure_string": "Pd1 N2 Cl2\n1.0\n0.953119 -0.278197 3.191800\n3.170042 0.723261 0.772640\n-0.607280 9.005593 -1.646032\nPd N Cl\n1 2 2\ndirect\n0.219976 0.005713 -0.001997 Pd\n0.068094 0.617700 0.858902 N\n0.884035 0.881581 0.137095 N\n0.112315 0.714346 0.334200 Cl\n-0.157418 -0.218341 0.661800 Cl\n",
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{
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"structure_string": "Na2 Te3 Mo3 O16\n1.0\n6.628266 -0.075991 -3.050736\n-3.791317 6.629742 -0.687678\n-0.021667 -0.016236 7.668097\nNa Te Mo O\n2 3 3 16\ndirect\n0.500000 0.913162 0.086837 Na\n-0.000001 0.514316 0.485683 Na\n-0.000001 0.003850 0.996150 Te\n0.502453 0.394097 0.050892 Te\n0.497546 0.949107 0.605902 Te\n0.986704 0.489598 0.972282 Mo\n0.013295 0.027717 0.510401 Mo\n0.500000 0.422062 0.577937 Mo\n0.367106 0.569913 0.536450 O\n0.654969 0.934736 0.876098 O\n0.345031 0.123901 0.065263 O\n0.078274 0.289789 0.043371 O\n0.187284 0.706642 0.186193 O\n0.921725 0.956629 0.710210 O\n0.335660 0.294052 0.755996 O\n0.122462 0.555493 0.829810 O\n0.664339 0.244003 0.705948 O\n0.812715 0.813806 0.293357 O\n0.773501 0.379979 0.112536 O\n0.770864 0.597151 0.844575 O\n0.877538 0.170190 0.444506 O\n0.229135 0.155425 0.402849 O\n0.632894 0.463549 0.430086 O\n0.226498 0.887463 0.620021 O\n",
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{
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"updated_at": "2022-09-04T14:36:13.841297Z",
"structure_string": "Be2 B1 O5\n1.0\n-2.254217 -3.865068 -0.217313\n-2.220138 3.845393 0.000000\n-0.244458 -0.141138 -4.830636\nBe B O\n2 1 5\ndirect\n0.348688 0.675162 0.898324 Be\n0.651314 0.326475 0.101676 Be\n-0.000000 -0.000094 0.000000 B\n0.388461 0.692900 0.554439 O\n0.611542 0.304440 0.445561 O\n0.695708 0.693500 0.990009 O\n0.304294 -0.002206 0.009991 O\n0.000000 0.309824 -0.000000 O\n",
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{
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"created_at": "2022-09-04T14:36:14.005436Z",
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"structure_string": "Na1 H1 F2\n1.0\n3.752856 -0.001183 0.424407\n-0.502573 3.719053 0.424407\n0.026015 0.029758 3.168247\nNa H F\n1 1 2\ndirect\n0.736327 0.263675 0.500001 Na\n0.098902 0.901098 0.000001 H\n0.287954 0.127283 0.102522 F\n0.872720 0.712047 0.897480 F\n",
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{
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"created_at": "2022-09-04T14:36:15.259714Z",
"updated_at": "2022-09-04T14:36:15.259738Z",
"structure_string": "Na1 Ca1 Fe2 Si4 O12\n1.0\n5.150350 0.141722 1.228950\n1.030649 6.518486 0.633616\n-0.222107 0.085997 6.625530\nNa Ca Fe Si O\n1 1 2 4 12\ndirect\n0.250000 0.700300 0.299701 Na\n0.750000 0.304243 0.695758 Ca\n0.249999 0.087813 0.912187 Fe\n0.750000 0.900674 0.099327 Fe\n0.268815 0.196498 0.381480 Si\n0.231184 0.618521 0.803503 Si\n0.764948 0.382960 0.195789 Si\n0.735052 0.804212 0.617041 Si\n0.648705 0.972412 0.793769 O\n0.851294 0.206231 0.027588 O\n0.684628 0.615465 0.103195 O\n0.501202 0.663634 0.634790 O\n0.505329 0.332425 0.373006 O\n0.179493 0.110982 0.617302 O\n0.142350 0.798365 0.966437 O\n0.357649 0.033564 0.201635 O\n0.815372 0.896806 0.384536 O\n-0.005329 0.626995 0.667576 O\n0.320506 0.382698 0.889019 O\n0.998798 0.365210 0.336367 O\n",
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{
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"structure_string": "Mn6 O1 F11\n1.0\n-4.884241 4.884241 3.302710\n-0.043811 4.831775 -3.289870\n-4.831775 0.043811 -3.289870\nMn O F\n6 1 11\ndirect\n0.843689 0.645203 0.667120 Mn\n0.669276 0.325690 0.339362 Mn\n0.330725 0.660638 0.674310 Mn\n0.156311 0.332880 0.354797 Mn\n0.500000 0.997929 0.002072 Mn\n0.000000 0.027497 0.972503 Mn\n0.000000 0.310916 0.689084 O\n0.333696 0.966481 0.366678 F\n0.370868 0.426183 0.440951 F\n0.032416 0.777032 0.763746 F\n0.702916 0.104031 0.095793 F\n0.325137 0.364120 0.991985 F\n0.629132 0.559049 0.573817 F\n0.297084 0.904207 0.895970 F\n0.666305 0.633322 0.033519 F\n0.674863 0.008015 0.635880 F\n0.967585 0.236254 0.222968 F\n0.000000 0.720552 0.279448 F\n",
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"updated_at": "2022-09-04T14:36:16.550022Z",
"structure_string": "Li9 Co2 O8\n1.0\n6.309390 -0.031618 -0.045191\n-0.031615 6.309385 0.045193\n-0.032705 0.032709 4.671227\nLi Co O\n9 2 8\ndirect\n0.064758 0.564767 0.750000 Li\n0.242016 0.247354 0.690708 Li\n0.270949 0.222737 0.186603 Li\n0.459720 0.959728 0.750000 Li\n0.533998 0.458449 0.246035 Li\n0.722728 0.770959 0.313397 Li\n0.747347 0.742027 0.809294 Li\n0.958440 0.034006 0.253965 Li\n0.970126 0.470136 0.250000 Li\n0.751568 0.251577 0.750000 Co\n0.254533 0.754542 0.250000 Co\n0.006529 0.268047 0.965571 O\n0.240090 0.998865 0.456788 O\n0.247358 0.485458 0.431731 O\n0.500569 0.242760 0.942641 O\n0.498857 0.740100 0.043211 O\n0.742751 0.000578 0.557359 O\n0.768037 0.506538 0.534429 O\n0.985451 0.747368 0.068268 O\n",
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{
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"structure_string": "Co6 O7 F5\n1.0\n4.410704 -0.124935 0.001854\n-0.124935 4.410704 -0.001854\n0.004022 -0.004022 8.837198\nCo O F\n6 7 5\ndirect\n0.990889 0.002808 0.008338 Co\n0.023197 0.023197 0.333333 Co\n0.002808 0.990889 0.658328 Co\n0.521762 0.465725 0.160011 Co\n0.497967 0.497968 0.833333 Co\n0.465725 0.521762 0.506655 Co\n0.815245 0.186004 0.169115 O\n0.706896 0.680705 -0.001404 O\n0.680705 0.706896 0.668071 O\n0.312950 0.285012 -0.000243 O\n0.313331 0.313331 0.333333 O\n0.186004 0.815246 0.497552 O\n0.285011 0.312950 0.666910 O\n0.793968 0.200834 0.827990 F\n0.223304 0.775476 0.168011 F\n0.200833 0.793968 0.838677 F\n0.703912 0.703912 0.333333 F\n0.775475 0.223304 0.498655 F\n",
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{
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"structure_string": "Li1 V1 P3 H1 O10\n1.0\n4.659379 4.386331 0.094946\n-4.659379 4.386331 -0.094946\n-2.564361 0.000000 5.695354\nLi V P H O\n1 1 3 1 10\ndirect\n0.179685 0.179685 0.500000 Li\n0.655270 0.655270 -0.000000 V\n0.189225 0.548074 0.098343 P\n0.559890 0.559890 0.500000 P\n0.548074 0.189225 0.901656 P\n0.229971 0.229971 0.000000 H\n0.330886 0.652540 0.941731 O\n0.655216 0.968957 0.974625 O\n0.592943 0.705441 0.655588 O\n0.305180 0.581109 0.356960 O\n0.293559 0.184985 0.848292 O\n0.184985 0.293559 0.151707 O\n0.581109 0.305180 0.643039 O\n0.705441 0.592943 0.344411 O\n0.968957 0.655216 0.025374 O\n0.652540 0.330886 0.058269 O\n",
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]
}