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{
"id": "jvasp-112273",
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"structure_string": "B2 H2 Pb4 O8\n1.0\n6.451281 0.021736 2.871472\n3.917867 5.125409 2.871472\n0.018578 0.009222 7.385748\nB H Pb O\n2 2 4 8\ndirect\n0.329002 0.329002 0.655519 B\n0.670998 0.670999 0.344480 B\n0.460182 0.460182 0.377458 H\n0.539818 0.539818 0.622541 H\n0.052736 0.052735 0.731536 Pb\n0.947264 0.947265 0.268463 Pb\n0.658865 0.658865 0.920624 Pb\n0.341136 0.341136 0.079376 Pb\n0.408136 0.408136 0.732307 O\n0.591864 0.591864 0.267692 O\n0.371012 0.371012 0.442980 O\n0.628989 0.628989 0.557019 O\n0.213097 0.213096 0.781691 O\n0.786904 0.786904 0.218309 O\n0.744810 0.255190 -0.000000 O\n0.255190 0.744811 -0.000000 O\n",
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"structure_string": "Ag8 Se4\n1.0\n4.550334 0.000000 0.000000\n0.000000 7.085733 0.000000\n0.000000 0.000000 7.544090\nAg Se\n8 4\ndirect\n0.007621 0.231292 0.876531 Ag\n0.698055 0.878414 0.947963 Ag\n0.492379 0.768707 0.376531 Ag\n0.198055 0.621585 0.052037 Ag\n0.801944 0.121586 0.447963 Ag\n0.992378 0.731292 0.623469 Ag\n0.301944 0.378414 0.552037 Ag\n0.507621 0.268708 0.123469 Ag\n0.879018 0.492897 0.329120 Se\n0.120981 0.992896 0.170880 Se\n0.379018 0.007103 0.670880 Se\n0.620981 0.507103 0.829120 Se\n",
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{
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"structure_string": "Ag2 Bi2 S2 Cl4\n1.0\n4.037148 -0.000000 -0.000000\n-2.018573 6.900347 0.000000\n0.000000 -0.000000 8.730177\nAg Bi S Cl\n2 2 2 4\ndirect\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.287552 0.575102 0.750000 Bi\n0.712450 0.424899 0.250000 Bi\n0.919056 0.838108 0.750000 S\n0.080946 0.161892 0.250000 S\n0.658202 0.316402 0.564365 Cl\n0.341800 0.683599 0.435635 Cl\n0.341800 0.683599 0.064365 Cl\n0.658202 0.316402 0.935635 Cl\n",
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"density_atomic": 0.04111794010365752,
"volume": 243.20284466561787,
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{
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"created_at": "2022-09-04T14:36:48.036829Z",
"updated_at": "2022-09-04T14:36:48.036848Z",
"structure_string": "K3 I2 Br1\n1.0\n4.855589 0.000000 0.000000\n-2.427795 4.205064 0.000000\n-0.000000 -0.000000 11.910712\nK I Br\n3 2 1\ndirect\n0.000000 0.000000 0.500000 K\n0.333334 0.666666 0.150770 K\n0.666667 0.333333 0.849230 K\n0.333334 0.666666 0.674648 I\n0.666667 0.333333 0.325351 I\n0.000000 0.000000 0.000000 Br\n",
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{
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"created_at": "2022-09-04T14:37:58.929987Z",
"updated_at": "2022-09-04T14:37:58.930011Z",
"structure_string": "Ag2 Bi2 S2 Cl4\n1.0\n4.036907 -0.000000 0.000000\n-2.018453 6.900711 -0.000000\n-0.000000 -0.000000 8.729614\nAg Bi S Cl\n2 2 2 4\ndirect\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.287556 0.575110 0.750000 Bi\n0.712446 0.424890 0.250000 Bi\n0.919064 0.838123 0.750000 S\n0.080938 0.161876 0.250000 S\n0.658210 0.316418 0.564365 Cl\n0.341791 0.683582 0.435634 Cl\n0.341791 0.683582 0.064365 Cl\n0.658210 0.316418 0.935634 Cl\n",
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{
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"created_at": "2022-09-04T14:38:07.770774Z",
"updated_at": "2022-09-04T14:38:07.770797Z",
"structure_string": "Li2 Mn6 O2 F10\n1.0\n6.221437 -0.017105 -0.007206\n-0.229886 6.265611 -0.020806\n-0.270383 -0.271557 6.240233\nLi Mn O F\n2 6 2 10\ndirect\n0.488262 0.502214 0.514124 Li\n0.007029 0.016076 0.023043 Li\n0.726752 0.445514 0.913432 Mn\n0.065591 0.242351 0.550091 Mn\n0.589387 0.077830 0.263421 Mn\n0.437101 0.905933 0.752422 Mn\n0.926863 0.759215 0.426211 Mn\n0.262753 0.565760 0.057623 Mn\n0.460785 0.597162 0.819754 O\n0.909324 0.061492 0.321494 O\n0.933113 0.681961 0.073695 F\n0.688325 0.096944 0.909589 F\n0.067034 0.307859 0.900486 F\n0.406402 0.184217 0.548833 F\n0.817120 0.474150 0.582997 F\n0.187132 0.534737 0.390173 F\n0.545112 0.403570 0.205064 F\n0.090667 0.909607 0.705829 F\n0.576628 0.794806 0.449011 F\n0.314624 0.938596 0.092688 F\n",
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{
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"created_at": "2022-09-04T14:38:43.747565Z",
"updated_at": "2022-09-04T14:38:43.747593Z",
"structure_string": "Bi4 Mo2 O12\n1.0\n8.719606 0.024464 0.000000\n-7.064279 5.111563 0.000000\n-0.000000 -0.000000 5.434711\nBi Mo O\n4 2 12\ndirect\n0.171689 0.828310 0.518936 Bi\n0.828310 0.171689 0.481064 Bi\n0.328310 0.671689 0.018936 Bi\n0.671689 0.328310 0.981064 Bi\n0.000000 0.000000 0.000000 Mo\n0.500000 0.499999 0.500000 Mo\n0.110951 0.889048 0.925962 O\n0.268822 0.231178 0.250000 O\n0.231178 0.268822 0.750000 O\n0.389048 0.610951 0.425962 O\n0.731178 0.768821 0.750000 O\n0.998077 0.501922 0.250000 O\n0.768821 0.731177 0.250000 O\n0.501922 0.998076 0.750000 O\n0.610951 0.389048 0.574038 O\n0.889048 0.110951 0.074038 O\n0.001922 0.498077 0.750000 O\n0.498077 0.001922 0.250000 O\n",
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{
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"created_at": "2022-09-04T14:38:28.804724Z",
"updated_at": "2022-09-04T14:38:28.804754Z",
"structure_string": "Nd4 B4 O12\n1.0\n6.312765 -0.116882 -0.202045\n-1.999625 6.286765 -0.043790\n-1.939403 -1.029451 6.243841\nNd B O\n4 4 12\ndirect\n0.432152 0.808587 0.211284 Nd\n0.567850 0.191414 0.788717 Nd\n0.072852 0.276594 0.358681 Nd\n0.927151 0.723408 0.641320 Nd\n0.505888 0.278268 0.278126 B\n0.494114 0.721733 0.721875 B\n0.969961 0.756834 0.207210 B\n0.030041 0.243168 0.792791 B\n0.382536 0.129745 0.381365 O\n0.617467 0.870257 0.618636 O\n0.989707 0.242451 0.983218 O\n0.010296 0.757550 0.016782 O\n0.628445 0.200590 0.170295 O\n0.493269 0.480704 0.285658 O\n0.852025 0.874479 0.277825 O\n0.147978 0.125523 0.722175 O\n0.914466 0.351780 0.643625 O\n0.506734 0.519297 0.714343 O\n0.371558 0.799411 0.829705 O\n0.085536 0.648221 0.356375 O\n",
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{
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"structure_string": "Mg2 Co12 P7\n1.0\n4.495139 -7.785808 -0.000000\n4.495139 7.785808 -0.000000\n0.000000 0.000000 3.473781\nMg Co P\n2 12 7\ndirect\n0.333333 0.666667 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.557286 0.939270 0.500000 Co\n0.443024 0.066398 0.000000 Co\n0.623374 0.556976 0.000000 Co\n0.153327 0.273748 0.000000 Co\n0.120421 0.846673 0.000000 Co\n0.933602 0.376626 0.000000 Co\n0.894406 0.135188 0.500000 Co\n0.864812 0.759217 0.500000 Co\n0.240783 0.105595 0.500000 Co\n0.060730 0.618016 0.500000 Co\n0.381984 0.442714 0.500000 Co\n0.726252 0.879580 0.000000 Co\n0.407280 0.290767 0.000000 P\n0.593763 0.708039 0.500000 P\n0.291961 0.885724 0.500000 P\n0.114276 0.406237 0.500000 P\n0.709233 0.116513 0.000000 P\n0.883487 0.592720 0.000000 P\n0.000000 0.000000 0.000000 P\n",
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"structure_string": "Ho1 H9 C5 N2 O8\n1.0\n6.399039 0.092026 1.782611\n2.449456 5.912389 1.782611\n0.125725 0.085315 6.516054\nHo H C N O\n1 9 5 2 8\ndirect\n0.095247 0.904753 -0.000000 Ho\n0.890629 0.553032 0.399258 H\n0.446968 0.109371 0.600741 H\n0.596414 0.655019 0.526198 H\n0.344981 0.403586 0.473801 H\n0.644847 0.378448 0.822436 H\n0.621552 0.355153 0.177563 H\n0.656207 0.712279 0.109362 H\n0.287721 0.343792 0.890637 H\n0.008282 0.991719 0.500000 H\n0.164177 0.835824 0.500000 C\n0.159867 0.364592 0.043877 C\n0.635408 0.840133 0.956122 C\n0.620241 0.200143 0.297676 C\n0.799857 0.379759 0.702323 C\n0.761540 0.543251 0.529216 N\n0.456749 0.238460 0.470783 N\n0.994496 0.234431 0.733752 O\n0.765569 0.005504 0.266248 O\n0.244476 0.745062 0.331014 O\n0.254939 0.755524 0.668985 O\n0.459925 0.891043 0.877814 O\n0.108957 0.540075 0.122185 O\n0.075463 0.216916 0.130160 O\n0.783084 0.924537 0.869839 O\n",
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{
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"created_at": "2022-09-04T14:37:16.593463Z",
"updated_at": "2022-09-04T14:37:16.593478Z",
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}