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{
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{
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{
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{
"id": "mp-680674",
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"structure_string": "Cs6 Bi4 Br18\n1.0\n4.103014 7.082794 0.000000\n-4.103014 7.082794 0.000000\n0.000000 0.291485 20.251473\nCs Bi Br\n6 4 18\ndirect\n0.673755 0.657125 0.167707 Cs\n0.000000 0.000000 0.000000 Cs\n0.342875 0.326245 0.332293 Cs\n0.000000 0.000000 0.500000 Cs\n0.657125 0.673755 0.667707 Cs\n0.326245 0.342875 0.832293 Cs\n0.673777 0.663152 0.407174 Bi\n0.336848 0.326223 0.092826 Bi\n0.663152 0.673777 0.907174 Bi\n0.326223 0.336848 0.592826 Bi\n0.163829 0.665814 0.664245 Br\n0.823204 0.349115 0.833541 Br\n0.000000 0.500000 0.500000 Br\n0.665814 0.163829 0.164245 Br\n0.149688 0.189247 0.669786 Br\n0.810753 0.850312 0.830214 Br\n0.000000 0.500000 0.000000 Br\n0.850312 0.810753 0.330214 Br\n0.334186 0.836171 0.835755 Br\n0.836171 0.334186 0.335755 Br\n0.500000 0.500000 0.000000 Br\n0.349115 0.823204 0.333541 Br\n0.650885 0.176796 0.666459 Br\n0.176796 0.650885 0.166459 Br\n0.500000 0.000000 0.000000 Br\n0.189247 0.149688 0.169786 Br\n0.500000 0.000000 0.500000 Br\n0.500000 0.500000 0.500000 Br\n",
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{
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"created_at": "2022-09-04T14:39:58.449596Z",
"structure_string": "Pr4 Al2 Ge12\n1.0\n4.412615 4.222511 0.000000\n-4.412615 4.222511 0.000000\n0.000000 2.150200 10.587237\nPr Al Ge\n4 2 12\ndirect\n0.837515 0.333785 0.663001 Pr\n0.333785 0.837515 0.663001 Pr\n0.162485 0.666215 0.336999 Pr\n0.666215 0.162485 0.336999 Pr\n0.799688 0.799688 0.804808 Al\n0.200312 0.200312 0.195192 Al\n0.146689 0.146689 0.436491 Ge\n0.853311 0.853311 0.563509 Ge\n0.360459 0.360459 0.581166 Ge\n0.639541 0.639541 0.418834 Ge\n0.065393 0.492442 0.885657 Ge\n0.492442 0.065393 0.885657 Ge\n0.934607 0.507558 0.114343 Ge\n0.507558 0.934607 0.114343 Ge\n0.069025 0.069025 0.886032 Ge\n0.930975 0.930975 0.113968 Ge\n0.488581 0.488581 0.885677 Ge\n0.511419 0.511419 0.114323 Ge\n",
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{
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"structure_string": "Cd4 H32 C8 Br12 N4\n1.0\n14.023754 0.000000 0.000000\n0.000000 7.073921 0.000000\n0.000000 1.153184 9.063267\nCd H C Br N\n4 32 8 12 4\ndirect\n0.746122 0.022351 0.782792 Cd\n0.253878 0.977649 0.217208 Cd\n0.246122 0.477649 0.217208 Cd\n0.753878 0.522351 0.782792 Cd\n0.919341 0.025108 0.367039 H\n0.416687 0.719460 0.551700 H\n0.511737 0.662446 0.777797 H\n0.583313 0.280540 0.448300 H\n0.090840 0.463494 0.687790 H\n0.414527 0.590204 0.872963 H\n0.409160 0.963494 0.687790 H\n0.524412 0.055880 0.142704 H\n0.182951 0.123301 0.657944 H\n0.317049 0.623301 0.657944 H\n0.580659 0.525108 0.367039 H\n0.085473 0.090204 0.872963 H\n0.419341 0.474892 0.632961 H\n0.914527 0.909796 0.127037 H\n0.975588 0.555880 0.142704 H\n0.011737 0.837554 0.222203 H\n0.817049 0.876699 0.342056 H\n0.650052 0.106881 0.141117 H\n0.988263 0.162446 0.777797 H\n0.682951 0.376699 0.342056 H\n0.849948 0.606881 0.141117 H\n0.083313 0.219460 0.551700 H\n0.590840 0.036506 0.312210 H\n0.024412 0.444120 0.857296 H\n0.475588 0.944120 0.857296 H\n0.349948 0.893119 0.858883 H\n0.916687 0.780540 0.448300 H\n0.585473 0.409796 0.127037 H\n0.150052 0.393119 0.858883 H\n0.080659 0.974892 0.632961 H\n0.488263 0.337554 0.222203 H\n0.909160 0.536506 0.312210 H\n0.894730 0.881100 0.353587 C\n0.583157 0.115048 0.201669 C\n0.416843 0.884952 0.798331 C\n0.605270 0.381100 0.353587 C\n0.105270 0.118900 0.646413 C\n0.394730 0.618900 0.646413 C\n0.083157 0.384952 0.798331 C\n0.916843 0.615048 0.201669 C\n0.832151 0.219478 0.000141 Br\n0.839094 0.307297 0.583213 Br\n0.660906 0.807297 0.583213 Br\n0.332151 0.280522 0.999859 Br\n0.167849 0.780522 0.999859 Br\n0.595317 0.279855 0.789524 Br\n0.160906 0.692703 0.416787 Br\n0.404683 0.720145 0.210476 Br\n0.904683 0.779855 0.789524 Br\n0.339094 0.192703 0.416787 Br\n0.667849 0.719478 0.000141 Br\n0.095317 0.220145 0.210476 Br\n0.561523 0.319566 0.217983 N\n0.061523 0.180434 0.782017 N\n0.938477 0.819565 0.217983 N\n0.438477 0.680434 0.782017 N\n",
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{
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"structure_string": "V4 As2 C2\n1.0\n1.555755 -2.694646 0.000000\n1.555755 2.694646 0.000000\n0.000000 0.000000 11.413713\nV As C\n4 2 2\ndirect\n0.666667 0.333333 0.591049 V\n0.333333 0.666667 0.408951 V\n0.333333 0.666667 0.091049 V\n0.666667 0.333333 0.908951 V\n0.666667 0.333333 0.250000 As\n0.333333 0.666667 0.750000 As\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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{
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{
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"structure_string": "Ba4 Nb8 O24\n1.0\n3.999876 -6.211738 0.000000\n3.999876 6.211738 0.000000\n0.000000 0.000000 10.490118\nBa Nb O\n4 8 24\ndirect\n0.424369 0.575631 0.750000 Ba\n0.131029 0.868971 0.250000 Ba\n0.575631 0.424369 0.250000 Ba\n0.868971 0.131029 0.750000 Ba\n0.413795 0.127230 0.921802 Nb\n0.872770 0.586205 0.578198 Nb\n0.586205 0.872770 0.421802 Nb\n0.635556 0.911954 0.071672 Nb\n0.127230 0.413795 0.078198 Nb\n0.088046 0.364444 0.428328 Nb\n0.364444 0.088046 0.571672 Nb\n0.911954 0.635556 0.928328 Nb\n0.880095 0.121598 0.463591 O\n0.920955 0.520386 0.109657 O\n0.121598 0.880095 0.536409 O\n0.344046 0.661406 0.385669 O\n0.878402 0.119905 0.036409 O\n0.661406 0.344046 0.614331 O\n0.655954 0.338594 0.885669 O\n0.299474 0.299474 0.000000 O\n0.703413 0.865357 0.249754 O\n0.338594 0.655954 0.114331 O\n0.079045 0.479614 0.609657 O\n0.308715 0.308715 0.500000 O\n0.479614 0.079045 0.390343 O\n0.865357 0.703413 0.750246 O\n0.520386 0.920955 0.890343 O\n0.700526 0.700526 0.500000 O\n0.075987 0.481940 0.892239 O\n0.924013 0.518060 0.392239 O\n0.481940 0.075987 0.107761 O\n0.119905 0.878402 0.963591 O\n0.134643 0.296587 0.250246 O\n0.691285 0.691285 0.000000 O\n0.518060 0.924013 0.607761 O\n0.296587 0.134643 0.749754 O\n",
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{
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{
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{
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}