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{
"id": "jvasp-55743",
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"structure_string": "Rb4 Cu2 H8 Cl8 O4\n1.0\n7.572529 -0.000000 0.000000\n-0.000000 7.572529 0.000000\n0.000000 0.000000 8.006481\nRb Cu H Cl O\n4 2 8 8 4\ndirect\n0.500000 0.000000 0.750000 Rb\n0.500000 0.000000 0.250000 Rb\n0.000000 0.500000 0.750000 Rb\n0.000000 0.500000 0.250000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.575630 0.424371 0.819174 H\n0.075629 0.075629 0.319174 H\n0.575630 0.424371 0.180826 H\n0.424371 0.575630 0.819174 H\n0.924371 0.924371 0.319174 H\n0.075629 0.075629 0.680826 H\n0.924371 0.924371 0.680826 H\n0.424371 0.575630 0.180826 H\n0.716514 0.283486 0.000000 Cl\n0.785892 0.785892 0.000000 Cl\n0.783486 0.783486 0.500000 Cl\n0.285892 0.714108 0.500000 Cl\n0.214108 0.214108 0.000000 Cl\n0.216514 0.216514 0.500000 Cl\n0.283486 0.716514 0.000000 Cl\n0.714108 0.285892 0.500000 Cl\n0.500000 0.500000 0.253776 O\n0.000000 0.000000 0.246224 O\n0.500000 0.500000 0.746224 O\n0.000000 0.000000 0.753776 O\n",
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{
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{
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"structure_string": "K4 Cu2 Cl4 F4\n1.0\n5.647291 -0.000000 -2.516470\n0.000000 6.182812 -0.000000\n0.147831 -0.000000 7.926619\nK Cu Cl F\n4 2 4 4\ndirect\n0.122267 0.500000 0.244535 K\n0.622267 0.000000 0.244535 K\n0.877732 0.500000 0.755465 K\n0.377732 0.000000 0.755465 K\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.160030 0.000000 0.320060 Cl\n0.839969 0.000000 0.679941 Cl\n0.660030 0.500000 0.320060 Cl\n0.339970 0.500000 0.679941 Cl\n0.778319 0.221691 0.000000 F\n0.221681 0.778309 0.000000 F\n0.278319 0.278309 0.000000 F\n0.721681 0.721690 0.000000 F\n",
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{
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"structure_string": "Sc7 N1 Cl12\n1.0\n7.626196 -0.006408 -2.399118\n-3.268030 6.890493 -2.399118\n-0.004057 -0.006408 7.994663\nSc N Cl\n7 1 12\ndirect\n0.500000 0.500000 0.499999 Sc\n0.100732 0.303616 0.029778 Sc\n0.029778 0.100731 0.303616 Sc\n0.696383 0.970221 0.899267 Sc\n0.899268 0.696383 0.970221 Sc\n0.970222 0.899268 0.696382 Sc\n0.303617 0.029778 0.100731 Sc\n0.000000 0.000000 0.000000 N\n0.772819 0.312890 0.922674 Cl\n0.463708 0.384294 0.152141 Cl\n0.687110 0.077325 0.227181 Cl\n0.227181 0.687109 0.077325 Cl\n0.077325 0.227181 0.687109 Cl\n0.152142 0.463708 0.384294 Cl\n0.384294 0.152142 0.463708 Cl\n0.536291 0.615705 0.847857 Cl\n0.847858 0.536291 0.615705 Cl\n0.615705 0.847858 0.536291 Cl\n0.312890 0.922674 0.772818 Cl\n0.922675 0.772818 0.312890 Cl\n",
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{
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"updated_at": "2022-09-04T14:38:29.269861Z",
"structure_string": "Al6 C3 N2\n1.0\n3.260769 0.005283 13.268744\n1.610949 2.835046 13.268744\n0.009061 0.005283 13.663531\nAl C N\n6 3 2\ndirect\n0.308459 0.308459 0.308459 Al\n0.912544 0.912543 0.912543 Al\n0.189135 0.189134 0.189134 Al\n0.810217 0.810216 0.810216 Al\n0.086801 0.086801 0.086801 Al\n0.690884 0.690883 0.690883 Al\n0.999673 0.999673 0.999672 C\n0.134525 0.134525 0.134525 C\n0.864822 0.864821 0.864821 C\n0.736020 0.736020 0.736020 N\n0.263324 0.263324 0.263324 N\n",
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{
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"created_at": "2022-09-04T14:36:17.893239Z",
"updated_at": "2022-09-04T14:36:17.893258Z",
"structure_string": "K2 Rb1 Nd1 Br6\n1.0\n7.383127 -0.000000 4.262651\n2.461043 6.960880 4.262651\n-0.000000 -0.000000 8.525301\nK Rb Nd Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Nd\n0.762806 0.237194 0.237194 Br\n0.237194 0.237194 0.762806 Br\n0.237194 0.762806 0.762806 Br\n0.237194 0.762806 0.237194 Br\n0.762806 0.237194 0.762806 Br\n0.762806 0.762806 0.237194 Br\n",
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"structure_string": "Co2 C4 O12\n1.0\n7.519184 0.000000 0.000000\n-0.000000 4.299519 2.115381\n0.000000 0.061589 6.189928\nCo C O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.272700 0.103072 0.121907 C\n0.227299 0.103072 0.621907 C\n0.772700 0.896928 0.378093 C\n0.727299 0.896928 0.878093 C\n0.262089 0.846278 0.608842 O\n0.762089 0.153723 0.891159 O\n0.073347 0.168108 0.681671 O\n0.358781 0.297687 0.556186 O\n0.641218 0.702313 0.443814 O\n0.737910 0.153723 0.391158 O\n0.237910 0.846278 0.108842 O\n0.573346 0.831893 0.818329 O\n0.426653 0.168108 0.181671 O\n0.141219 0.297687 0.056185 O\n0.926653 0.831892 0.318329 O\n0.858781 0.702314 0.943815 O\n",
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"structure_string": "Na12 Fe4 O12\n1.0\n0.000000 5.753412 0.035186\n12.625346 0.000000 0.000000\n0.000000 -3.293623 -5.314843\nNa Fe O\n12 4 12\ndirect\n0.447071 0.221322 0.307564 Na\n0.552929 0.721322 0.192435 Na\n0.542802 0.515866 0.781970 Na\n0.447071 0.278678 0.807564 Na\n0.542802 0.984134 0.281970 Na\n0.457197 0.484134 0.218029 Na\n0.064963 0.402313 0.360256 Na\n0.935037 0.902313 0.139743 Na\n0.935037 0.597687 0.639743 Na\n0.064963 0.097687 0.860256 Na\n0.457197 0.015866 0.718029 Na\n0.552929 0.778678 0.692434 Na\n0.917195 0.336721 0.743297 Fe\n0.082805 0.836721 0.756701 Fe\n0.082805 0.663279 0.256701 Fe\n0.917195 0.163279 0.243298 Fe\n0.970983 0.227850 0.548899 O\n0.029016 0.727850 0.951099 O\n0.029016 0.772150 0.451100 O\n0.970983 0.272150 0.048899 O\n0.452017 0.873131 0.953163 O\n0.547983 0.373130 0.546836 O\n0.179865 0.061570 0.300309 O\n0.820134 0.561570 0.199690 O\n0.820134 0.938430 0.699690 O\n0.179865 0.438430 0.800309 O\n0.547983 0.126870 0.046836 O\n0.452017 0.626870 0.453163 O\n",
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]
}