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{
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{
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{
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{
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"structure_string": "Na12 Zr8 Si8 P4 O48\n1.0\n8.006001 -0.015876 4.437221\n5.519398 15.046782 8.871240\n-0.066093 -0.047275 9.316186\nNa Zr Si P O\n12 8 8 4 48\ndirect\n0.052114 0.156555 0.921728 Na\n0.341121 0.019726 0.440390 Na\n0.607134 0.193013 0.258194 Na\n0.394548 0.303855 0.748338 Na\n0.310446 0.526753 0.415343 Na\n0.053402 0.655789 0.918565 Na\n0.944387 0.346440 0.083245 Na\n0.690817 0.473396 0.581301 Na\n0.608725 0.696064 0.250049 Na\n0.393422 0.800725 0.757969 Na\n0.942599 0.849644 0.090773 Na\n0.729231 0.960571 0.637121 Na\n0.153597 0.322806 0.556066 Zr\n0.644583 0.077507 0.057714 Zr\n0.356758 0.423309 0.941967 Zr\n0.850986 0.177295 0.441569 Zr\n0.158399 0.821995 0.554579 Zr\n0.647808 0.576045 0.056018 Zr\n0.354455 0.923687 0.945063 Zr\n0.847595 0.677544 0.442912 Zr\n0.248617 0.235962 0.235446 Si\n0.471501 0.123866 0.738575 Si\n0.530207 0.375871 0.262503 Si\n0.249560 0.734763 0.237158 Si\n0.753405 0.264514 0.762972 Si\n0.472140 0.623754 0.736701 Si\n0.530713 0.876211 0.264352 Si\n0.754147 0.764557 0.762470 Si\n0.044130 0.478761 0.748860 P\n0.956815 0.020788 0.250338 P\n0.043200 0.979639 0.747181 P\n0.959005 0.521253 0.249236 P\n0.109164 0.002994 0.084436 O\n0.015330 0.055428 0.579514 O\n0.068425 0.217612 0.291113 O\n0.262241 0.316736 0.051040 O\n0.110103 0.502452 0.084237 O\n0.422805 0.144320 0.224366 O\n0.246076 0.263741 0.380642 O\n0.061900 0.389405 0.750678 O\n0.291222 0.211472 0.718996 O\n0.005560 0.554508 0.584574 O\n0.430812 0.034242 0.798050 O\n0.475107 0.377609 0.116756 O\n0.071001 0.714077 0.296727 O\n0.780398 0.029653 0.248512 O\n0.366041 0.371733 0.445331 O\n0.639847 0.126495 0.559275 O\n0.223113 0.469665 0.746779 O\n0.521849 0.123970 0.885623 O\n0.257909 0.816919 0.055182 O\n0.575004 0.464248 0.203420 O\n0.710098 0.287466 0.279626 O\n0.424919 0.644258 0.220169 O\n0.936760 0.110264 0.250260 O\n0.250463 0.761450 0.381966 O\n0.756749 0.236188 0.618311 O\n0.053001 0.892234 0.747749 O\n0.578644 0.355838 0.775981 O\n0.889948 0.000309 0.909659 O\n0.289776 0.711489 0.723036 O\n0.430072 0.535061 0.794257 O\n0.740999 0.183734 0.947358 O\n0.472623 0.878029 0.120527 O\n0.779726 0.530733 0.250834 O\n0.369865 0.869689 0.449803 O\n0.634481 0.629504 0.552734 O\n0.222939 0.965774 0.752104 O\n0.931397 0.285479 0.705339 O\n0.527825 0.622977 0.881128 O\n0.576268 0.964015 0.205820 O\n0.995696 0.445607 0.414369 O\n0.712550 0.788111 0.277275 O\n0.940982 0.610489 0.248156 O\n0.754588 0.737756 0.617364 O\n0.578400 0.854582 0.783010 O\n0.893102 0.497426 0.914122 O\n0.746233 0.682123 0.944566 O\n0.930308 0.787621 0.703473 O\n0.998123 0.944555 0.413160 O\n",
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"formula_full": "Na12 Zr8 Si8 P4 O48",
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},
{
"id": "mp-1214490",
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"structure_string": "Ba2 H2 Br4 O12\n1.0\n-4.820300 -4.240507 4.019153\n4.820300 -4.240507 -4.019153\n4.976657 4.240507 4.675553\nBa H Br O\n2 2 4 12\ndirect\n0.587921 0.337921 0.250000 Ba\n0.412079 0.662079 0.750000 Ba\n0.947912 0.697912 0.250000 H\n0.052088 0.302088 0.750000 H\n0.988063 0.174749 0.197784 Br\n0.011937 0.825251 0.802216 Br\n0.476965 0.790279 0.302216 Br\n0.523035 0.209721 0.697784 Br\n0.652644 0.048343 0.397382 O\n0.347356 0.951657 0.602618 O\n0.150961 0.255262 0.102618 O\n0.849039 0.744738 0.897382 O\n0.731081 0.097522 0.017697 O\n0.268919 0.902478 0.982303 O\n0.579824 0.713384 0.482303 O\n0.420176 0.286616 0.517697 O\n0.528887 0.679496 0.134151 O\n0.471113 0.320504 0.865849 O\n0.045345 0.394736 0.365849 O\n0.954655 0.605264 0.634151 O\n",
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{
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{
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"structure_string": "K8 Ge8 P8 O40\n1.0\n6.401524 0.000000 0.000000\n0.000000 10.172975 0.000000\n0.000000 0.000000 12.826332\nK Ge P O\n8 8 8 40\ndirect\n0.191423 0.568956 0.391575 K\n0.220276 0.815442 0.618771 K\n0.720276 0.315442 0.881229 K\n0.279724 0.815442 0.118771 K\n0.779724 0.315442 0.381229 K\n0.691423 0.068956 0.108425 K\n0.308577 0.568956 0.891575 K\n0.808577 0.068956 0.608425 K\n0.754074 0.752060 0.251576 Ge\n0.245926 0.252060 0.748424 Ge\n0.745926 0.752060 0.751576 Ge\n0.254074 0.252060 0.248424 Ge\n0.997281 0.500974 0.130438 Ge\n0.002719 0.000974 0.869562 Ge\n0.502719 0.500974 0.630438 Ge\n0.497281 0.000974 0.369562 Ge\n0.834043 0.751047 0.997797 P\n0.334043 0.251047 0.502203 P\n0.665957 0.751047 0.497797 P\n0.165957 0.251047 0.002203 P\n0.503782 0.503024 0.179122 P\n0.496218 0.003024 0.820878 P\n0.996218 0.503024 0.679122 P\n0.003782 0.003024 0.320878 P\n0.961108 0.887926 0.244220 O\n0.038892 0.387926 0.755780 O\n0.538892 0.887926 0.744220 O\n0.461108 0.387926 0.255780 O\n0.040901 0.121687 0.246492 O\n0.959099 0.621687 0.753508 O\n0.459099 0.121687 0.746492 O\n0.540901 0.621687 0.253508 O\n0.195153 0.971654 0.390317 O\n0.804847 0.471654 0.609683 O\n0.304847 0.971654 0.890317 O\n0.695153 0.471654 0.109683 O\n0.813200 0.033235 0.391318 O\n0.186800 0.533235 0.608682 O\n0.686800 0.033235 0.891318 O\n0.690372 0.726716 0.902330 O\n0.313200 0.533235 0.108682 O\n0.532685 0.634895 0.724929 O\n0.032685 0.134895 0.775071 O\n0.967315 0.634895 0.224929 O\n0.546309 0.877392 0.268890 O\n0.453691 0.377392 0.731110 O\n0.953691 0.877392 0.768890 O\n0.046309 0.377392 0.231110 O\n0.484136 0.132580 0.484721 O\n0.515864 0.632580 0.515279 O\n0.015864 0.132580 0.984721 O\n0.984136 0.632580 0.015279 O\n0.475665 0.374621 0.518258 O\n0.524335 0.874621 0.481742 O\n0.024335 0.374621 0.018258 O\n0.975665 0.874621 0.981742 O\n0.194800 0.275780 0.405327 O\n0.805200 0.775780 0.594673 O\n0.305200 0.275780 0.905327 O\n0.694800 0.775780 0.094673 O\n0.190372 0.226716 0.597670 O\n0.809628 0.726716 0.402330 O\n0.309628 0.226716 0.097670 O\n0.467315 0.134895 0.275071 O\n",
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{
"id": "mp-1222385",
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"structure_string": "Lu2 Ge3\n1.0\n-2.163429 -3.771025 0.000000\n-2.163567 3.771103 0.000000\n0.000000 0.000000 -6.848828\nLu Ge\n2 3\ndirect\n0.999949 0.000044 0.020774 Lu\n0.999949 0.000044 0.479226 Lu\n0.333522 0.666545 0.750000 Ge\n0.666749 0.333110 0.250000 Ge\n0.666332 0.333557 0.750000 Ge\n",
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]
}