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{
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{
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{
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"structure_string": "Sr4 Ca1 Y1 Cu6 Pb4 O16\n1.0\n5.409182 0.000000 0.000000\n0.077883 5.434290 0.000000\n0.033890 0.044443 15.918613\nSr Ca Y Cu Pb O\n4 1 1 6 4 16\ndirect\n0.501282 0.501471 0.780246 Sr\n0.498718 0.498529 0.219754 Sr\n0.000773 0.001338 0.782583 Sr\n0.999227 0.998662 0.217417 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Y\n0.500000 0.500000 0.500000 Cu\n0.500159 0.999695 0.894623 Cu\n0.499841 0.000305 0.105377 Cu\n0.000000 0.000000 0.500000 Cu\n0.999888 0.500601 0.894837 Cu\n0.000112 0.499399 0.105163 Cu\n0.493436 0.012833 0.612091 Pb\n0.506564 0.987167 0.387909 Pb\n0.011580 0.496888 0.612166 Pb\n0.988420 0.503112 0.387834 Pb\n0.745785 0.254277 0.903682 O\n0.254215 0.745723 0.096318 O\n0.744874 0.745116 0.907013 O\n0.255126 0.254884 0.092987 O\n0.505399 0.993260 0.748811 O\n0.494601 0.006740 0.251189 O\n0.996241 0.509102 0.748700 O\n0.003759 0.490898 0.251300 O\n0.255645 0.255543 0.905211 O\n0.744355 0.744457 0.094789 O\n0.046030 0.059282 0.613992 O\n0.953970 0.940718 0.386008 O\n0.254268 0.745894 0.904113 O\n0.745732 0.254106 0.095887 O\n0.467944 0.451280 0.614971 O\n0.532056 0.548720 0.385029 O\n",
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{
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{
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{
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{
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"structure_string": "Mn4 Cu4 H40 Se8 Cl8 O40\n1.0\n7.214702 0.000000 0.000000\n0.000000 9.242635 0.000000\n0.000000 0.000000 18.734812\nMn Cu H Se Cl O\n4 4 40 8 8 40\ndirect\n0.933433 0.645806 0.250000 Mn\n0.566567 0.145806 0.250000 Mn\n0.066567 0.354194 0.750000 Mn\n0.433433 0.854194 0.750000 Mn\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.611574 0.562778 0.440188 H\n0.888426 0.062778 0.059812 H\n0.388426 0.437222 0.940188 H\n0.111574 0.937222 0.559812 H\n0.388426 0.437222 0.559812 H\n0.111574 0.937222 0.940188 H\n0.611574 0.562778 0.059812 H\n0.888426 0.062778 0.440188 H\n0.732412 0.824769 0.342920 H\n0.767588 0.324769 0.157080 H\n0.267588 0.175231 0.842920 H\n0.232412 0.675231 0.657080 H\n0.267588 0.175231 0.657080 H\n0.232412 0.675231 0.842920 H\n0.732412 0.824769 0.157080 H\n0.767588 0.324769 0.342920 H\n0.903692 0.770017 0.385981 H\n0.596308 0.270017 0.114019 H\n0.096308 0.229983 0.885981 H\n0.403692 0.729983 0.614019 H\n0.096308 0.229983 0.614019 H\n0.403692 0.729983 0.885981 H\n0.903692 0.770017 0.114019 H\n0.596308 0.270017 0.385981 H\n0.522659 0.652759 0.250000 H\n0.977341 0.152759 0.250000 H\n0.477341 0.347241 0.750000 H\n0.022659 0.847241 0.750000 H\n0.585735 0.491265 0.250000 H\n0.914265 0.991265 0.250000 H\n0.414265 0.508735 0.750000 H\n0.085735 0.008735 0.750000 H\n0.262217 0.814960 0.290908 H\n0.237783 0.314960 0.209092 H\n0.737783 0.185040 0.790908 H\n0.762217 0.685040 0.709092 H\n0.737783 0.185040 0.709092 H\n0.762217 0.685040 0.790908 H\n0.262217 0.814960 0.209092 H\n0.237783 0.314960 0.290908 H\n0.337046 0.691455 0.452853 Se\n0.162954 0.191455 0.047147 Se\n0.662954 0.308545 0.952853 Se\n0.837046 0.808545 0.547147 Se\n0.662954 0.308545 0.547147 Se\n0.837046 0.808545 0.952853 Se\n0.337046 0.691455 0.047147 Se\n0.162954 0.191455 0.452853 Se\n0.035350 0.463339 0.346467 Cl\n0.464650 0.963339 0.153533 Cl\n0.964650 0.536661 0.846467 Cl\n0.535350 0.036661 0.653533 Cl\n0.964650 0.536661 0.653533 Cl\n0.535350 0.036661 0.846467 Cl\n0.035350 0.463339 0.153533 Cl\n0.464650 0.963339 0.346467 Cl\n0.443583 0.790089 0.520326 O\n0.056417 0.290089 0.979674 O\n0.556417 0.209911 0.020326 O\n0.943583 0.709911 0.479674 O\n0.556417 0.209911 0.479674 O\n0.943583 0.709911 0.020326 O\n0.443583 0.790089 0.979674 O\n0.056417 0.290089 0.520326 O\n0.266728 0.540704 0.500845 O\n0.233272 0.040704 0.999155 O\n0.733272 0.459296 0.000845 O\n0.766728 0.959296 0.499155 O\n0.733272 0.459296 0.499155 O\n0.766728 0.959296 0.000845 O\n0.266728 0.540704 0.999155 O\n0.233272 0.040704 0.500845 O\n0.530724 0.619907 0.406583 O\n0.969276 0.119907 0.093417 O\n0.469276 0.380093 0.906583 O\n0.030724 0.880093 0.593417 O\n0.469276 0.380093 0.593417 O\n0.030724 0.880093 0.906583 O\n0.530724 0.619907 0.093417 O\n0.969276 0.119907 0.406583 O\n0.863710 0.798571 0.337165 O\n0.636290 0.298571 0.162835 O\n0.136290 0.201429 0.837165 O\n0.363710 0.701429 0.662835 O\n0.136290 0.201429 0.662835 O\n0.363710 0.701429 0.837165 O\n0.863710 0.798571 0.162835 O\n0.636290 0.298571 0.337165 O\n0.632409 0.589619 0.250000 O\n0.867591 0.089619 0.250000 O\n0.367591 0.410381 0.750000 O\n0.132409 0.910381 0.750000 O\n0.220577 0.755481 0.250000 O\n0.279423 0.255481 0.250000 O\n0.779423 0.244519 0.750000 O\n0.720577 0.744519 0.750000 O\n",
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},
{
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},
{
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"structure_string": "Co4 H64 Ru4 N40 Cl4 O40\n1.0\n17.965474 0.000000 0.000000\n0.000000 6.193677 0.000000\n0.000000 1.201827 14.669861\nCo H Ru N Cl O\n4 64 4 40 4 40\ndirect\n0.502384 0.354784 0.231297 Co\n0.002384 0.645216 0.268703 Co\n0.497616 0.645216 0.768703 Co\n0.997616 0.354784 0.731297 Co\n0.708728 0.579962 0.616915 H\n0.208728 0.420038 0.883085 H\n0.291272 0.420038 0.383085 H\n0.791272 0.579962 0.116915 H\n0.552645 0.122828 0.104869 H\n0.052645 0.877172 0.395131 H\n0.447355 0.877172 0.895131 H\n0.947355 0.122828 0.604869 H\n0.564213 0.382578 0.075035 H\n0.064213 0.617422 0.424965 H\n0.435787 0.617422 0.924965 H\n0.935787 0.382578 0.575035 H\n0.480884 0.270395 0.067998 H\n0.980884 0.729605 0.432002 H\n0.519116 0.729605 0.932002 H\n0.019116 0.270395 0.567998 H\n0.370007 0.232344 0.275974 H\n0.870007 0.767656 0.224026 H\n0.629993 0.767656 0.724026 H\n0.129993 0.232344 0.775974 H\n0.375040 0.345695 0.170232 H\n0.875040 0.654305 0.329768 H\n0.624960 0.654305 0.829768 H\n0.124960 0.345695 0.670232 H\n0.400092 0.089744 0.192432 H\n0.900092 0.910256 0.307568 H\n0.599908 0.910256 0.807568 H\n0.099908 0.089744 0.692432 H\n0.642171 0.361994 0.228246 H\n0.142171 0.638006 0.271754 H\n0.357829 0.638006 0.771754 H\n0.857829 0.361994 0.728246 H\n0.607576 0.601585 0.195749 H\n0.107576 0.398415 0.304251 H\n0.392424 0.398415 0.804251 H\n0.892424 0.601585 0.695749 H\n0.614930 0.526552 0.305607 H\n0.114930 0.473448 0.194393 H\n0.385070 0.473448 0.694393 H\n0.885070 0.526552 0.805607 H\n0.510914 0.946968 0.255912 H\n0.010914 0.053032 0.244088 H\n0.489086 0.053032 0.744088 H\n0.989086 0.946968 0.755912 H\n0.524478 0.051954 0.353173 H\n0.024478 0.948046 0.146827 H\n0.475522 0.948046 0.646827 H\n0.975522 0.051954 0.853173 H\n0.592897 0.048970 0.276746 H\n0.092897 0.951030 0.223254 H\n0.407103 0.951030 0.723254 H\n0.907103 0.048970 0.776746 H\n0.424998 0.370417 0.374473 H\n0.924998 0.629583 0.125527 H\n0.575002 0.629583 0.625527 H\n0.075002 0.370417 0.874473 H\n0.514041 0.397300 0.402223 H\n0.014041 0.602700 0.097777 H\n0.485959 0.602700 0.597777 H\n0.985959 0.397300 0.902223 H\n0.466934 0.604979 0.352710 H\n0.966934 0.395021 0.147290 H\n0.533066 0.395021 0.647290 H\n0.033066 0.604979 0.852710 H\n0.726928 0.938426 0.528528 Ru\n0.226928 0.061574 0.971472 Ru\n0.273072 0.061574 0.471472 Ru\n0.773072 0.938426 0.028528 Ru\n0.763883 0.140175 0.448810 N\n0.263883 0.859825 0.051190 N\n0.236117 0.859825 0.551190 N\n0.736117 0.140175 0.948810 N\n0.682385 0.766848 0.421586 N\n0.182385 0.233152 0.078414 N\n0.317615 0.233152 0.578414 N\n0.817615 0.766848 0.921586 N\n0.624511 0.106273 0.533804 N\n0.124511 0.893727 0.966196 N\n0.375489 0.893727 0.466196 N\n0.875489 0.106273 0.033804 N\n0.769980 0.078722 0.646674 N\n0.269980 0.921278 0.853326 N\n0.230020 0.921278 0.353326 N\n0.730020 0.078722 0.146674 N\n0.826388 0.752173 0.523359 N\n0.326388 0.247827 0.976641 N\n0.173612 0.247827 0.476641 N\n0.673612 0.752173 0.023359 N\n0.528250 0.271975 0.107174 N\n0.028250 0.728025 0.392826 N\n0.471750 0.728025 0.892826 N\n0.971750 0.271975 0.607174 N\n0.401313 0.240030 0.216608 N\n0.901313 0.759970 0.283392 N\n0.598687 0.759970 0.783392 N\n0.098687 0.240030 0.716608 N\n0.602344 0.472221 0.243103 N\n0.102344 0.527779 0.256897 N\n0.397656 0.527779 0.756897 N\n0.897656 0.472221 0.743103 N\n0.536762 0.072526 0.285234 N\n0.036762 0.927474 0.214766 N\n0.463238 0.927474 0.714766 N\n0.963238 0.072526 0.785234 N\n0.474884 0.440879 0.353197 N\n0.974884 0.559121 0.146803 N\n0.525116 0.559121 0.646803 N\n0.025116 0.440879 0.853197 N\n0.464698 0.685865 0.163745 Cl\n0.964698 0.314135 0.336255 Cl\n0.535302 0.314135 0.836255 Cl\n0.035302 0.685865 0.663745 Cl\n0.724754 0.711643 0.360697 O\n0.224754 0.288357 0.139303 O\n0.275246 0.288357 0.639303 O\n0.775246 0.711643 0.860697 O\n0.614395 0.723574 0.420243 O\n0.114395 0.276426 0.079757 O\n0.385605 0.276426 0.579757 O\n0.885605 0.723574 0.920243 O\n0.605199 0.228160 0.465824 O\n0.105199 0.771840 0.034176 O\n0.394801 0.771840 0.534176 O\n0.894801 0.228160 0.965824 O\n0.583429 0.080458 0.602087 O\n0.083429 0.919542 0.897913 O\n0.416571 0.919542 0.397913 O\n0.916571 0.080458 0.102087 O\n0.737477 0.228057 0.681534 O\n0.237477 0.771943 0.818466 O\n0.262523 0.771943 0.318466 O\n0.762523 0.228057 0.181534 O\n0.830201 0.004767 0.679986 O\n0.330201 0.995233 0.820014 O\n0.169799 0.995233 0.320014 O\n0.669799 0.004767 0.179986 O\n0.827360 0.556333 0.552283 O\n0.327360 0.443667 0.947717 O\n0.172640 0.443667 0.447717 O\n0.672640 0.556333 0.052283 O\n0.884083 0.839937 0.489725 O\n0.384083 0.160063 0.010275 O\n0.115917 0.160063 0.510275 O\n0.615917 0.839937 0.989725 O\n0.787174 0.266174 0.392721 O\n0.287174 0.733826 0.107279 O\n0.212826 0.733826 0.607279 O\n0.712826 0.266174 0.892721 O\n0.681073 0.716409 0.615810 O\n0.181073 0.283591 0.884190 O\n0.318927 0.283591 0.384190 O\n0.818927 0.716409 0.115810 O\n",
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"formula_full": "Co4 H64 Ru4 N40 Cl4 O40",
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"updated_at": "2021-11-28T01:34:33.109000Z",
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}
]
}