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{
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"structure_string": "Zn1 H18 C11 O4\n1.0\n3.954035 0.231494 0.187763\n1.496442 4.485093 0.217825\n-0.051332 -0.153297 15.538161\nZn H C O\n1 18 11 4\ndirect\n0.364480 0.077461 0.161838 Zn\n0.193128 0.773973 0.493602 H\n0.470479 0.310860 0.400061 H\n0.300924 0.164270 0.912772 H\n0.070491 0.218307 0.717195 H\n0.503528 0.179798 0.751719 H\n0.262850 0.262380 0.559138 H\n0.702214 0.212646 0.591811 H\n0.630042 0.726816 0.526786 H\n0.888217 0.169801 0.873298 H\n0.547186 0.653596 0.956929 H\n0.966695 0.636171 0.996599 H\n0.782778 0.689875 0.803819 H\n0.213316 0.660258 0.837637 H\n-0.002765 0.730606 0.649226 H\n0.435752 0.682700 0.681649 H\n0.371238 0.834448 0.338610 H\n0.795476 0.805939 0.373597 H\n0.907279 0.271891 0.432725 H\n0.793657 0.295685 0.048053 C\n0.822082 0.496986 0.972655 C\n0.027420 0.317497 0.894072 C\n0.056546 0.524341 0.818558 C\n0.232048 0.349385 0.737042 C\n0.631529 0.439087 0.421766 C\n0.431328 0.387078 0.579178 C\n0.465082 0.600178 0.505852 C\n0.644900 0.668624 0.351347 C\n0.829241 0.540665 0.266325 C\n0.267993 0.556468 0.662256 C\n0.065956 0.051119 0.065205 O\n0.765413 0.708158 0.198437 O\n0.062885 0.266660 0.266262 O\n0.496554 0.379699 0.092338 O\n",
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{
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"structure_string": "V8 S18 Br8\n1.0\n7.064086 0.000000 -0.000000\n0.000000 10.812747 0.000000\n-0.000000 -0.000000 10.812747\nV S Br\n8 18 8\ndirect\n0.365691 0.887429 0.887429 V\n0.634310 0.387429 0.387429 V\n0.365691 0.612572 0.612572 V\n0.634310 0.112572 0.387429 V\n0.634310 0.387429 0.112572 V\n0.365691 0.612572 0.887429 V\n0.365691 0.887429 0.612572 V\n0.634310 0.112572 0.112572 V\n0.619141 0.560890 0.250000 S\n0.483818 0.250000 0.250000 S\n0.380859 0.439111 0.750000 S\n0.868801 0.467157 0.250000 S\n0.619141 0.939111 0.250000 S\n0.868801 0.250000 0.467157 S\n0.131199 0.532843 0.750000 S\n0.131199 0.967157 0.750000 S\n0.619141 0.250000 0.560890 S\n0.380859 0.060889 0.750000 S\n0.131199 0.750000 0.532843 S\n0.516182 0.750000 0.750000 S\n0.131199 0.750000 0.967157 S\n0.868801 0.250000 0.032843 S\n0.619141 0.250000 0.939111 S\n0.380859 0.750000 0.439111 S\n0.380859 0.750000 0.060889 S\n0.868801 0.032843 0.250000 S\n0.716687 0.555172 0.555172 Br\n0.283313 0.444829 0.055171 Br\n0.716687 0.944829 0.944829 Br\n0.283313 0.055171 0.055171 Br\n0.283313 0.055171 0.444829 Br\n0.716687 0.944829 0.555172 Br\n0.716687 0.555172 0.944829 Br\n0.283313 0.444829 0.444829 Br\n",
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{
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"updated_at": "2022-09-04T14:35:56.740957Z",
"structure_string": "Ba8 Ir6 O20\n1.0\n5.798186 0.007907 0.000000\n-2.823537 6.788276 0.000000\n0.000000 0.000000 13.281229\nBa Ir O\n8 6 20\ndirect\n0.263720 0.518350 0.387259 Ba\n0.965079 0.917038 0.362693 Ba\n0.534923 0.082963 0.862693 Ba\n0.034922 0.082963 0.637307 Ba\n0.465078 0.917038 0.137307 Ba\n0.736280 0.481651 0.612741 Ba\n0.763721 0.518350 0.112741 Ba\n0.236280 0.481651 0.887259 Ba\n0.631646 0.243565 0.349591 Ir\n0.000000 0.000000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.131645 0.243565 0.150409 Ir\n0.368355 0.756436 0.650409 Ir\n0.868355 0.756436 0.849591 Ir\n0.838930 0.227503 0.475391 O\n0.661071 0.772498 0.975391 O\n0.526472 0.073694 0.651290 O\n0.067551 0.766840 0.725690 O\n0.026471 0.073693 0.848710 O\n0.338930 0.227503 0.024609 O\n0.161071 0.772498 0.524609 O\n0.135347 0.787425 0.959954 O\n0.364653 0.212576 0.459954 O\n0.864653 0.212576 0.040046 O\n0.635348 0.787425 0.540046 O\n0.728107 0.465572 0.846053 O\n0.771894 0.534429 0.346053 O\n0.271893 0.534429 0.153948 O\n0.228107 0.465572 0.653948 O\n0.567551 0.766840 0.774310 O\n0.932450 0.233162 0.274310 O\n0.432449 0.233161 0.225690 O\n0.473529 0.926307 0.348710 O\n0.973529 0.926308 0.151290 O\n",
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"structure_string": "Li10 V2 P4 O18\n1.0\n7.328696 -0.057777 -2.051241\n-4.229608 5.985276 -2.051241\n0.030208 0.057777 7.610287\nLi V P O\n10 2 4 18\ndirect\n0.250001 0.750001 0.500001 Li\n0.250001 0.024811 0.774811 Li\n0.475190 0.250000 0.225190 Li\n0.024811 0.250001 0.774811 Li\n0.750001 0.524811 0.774811 Li\n0.524811 0.750001 0.774811 Li\n0.750001 0.250000 0.500000 Li\n0.750000 0.975190 0.225190 Li\n0.250000 0.475190 0.225190 Li\n0.975190 0.750000 0.225190 Li\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.790374 0.290374 0.080747 P\n0.209627 0.709627 0.919254 P\n0.290374 0.209626 0.500000 P\n0.709627 0.790374 0.500001 P\n0.519547 0.302843 0.500000 O\n0.980455 0.480454 0.783297 O\n0.250000 0.250000 0.000000 O\n0.815514 0.122792 0.938304 O\n0.684487 0.622792 0.307279 O\n0.302843 0.802843 0.783297 O\n0.750000 0.750000 0.000000 O\n0.184487 0.877209 0.061697 O\n0.877209 0.815514 0.692722 O\n0.802843 0.019546 0.500000 O\n0.019546 0.519547 0.216704 O\n0.315514 0.377209 0.692722 O\n0.377209 0.684487 0.061697 O\n0.697158 0.197158 0.216704 O\n0.197158 0.980455 0.500001 O\n0.480454 0.697158 0.500001 O\n0.122792 0.184487 0.307279 O\n0.622792 0.315514 0.938305 O\n",
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{
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"structure_string": "H14 C16 N2 O2\n1.0\n5.731462 0.037925 -1.171356\n-2.298354 7.140469 -1.125092\n-0.341907 -0.128822 7.392738\nH C N O\n14 16 2 2\ndirect\n0.060469 0.252721 0.025075 H\n0.903135 0.418472 0.377185 H\n0.695392 0.485510 0.205333 H\n0.710699 0.737536 0.063328 H\n0.332514 0.558196 0.997489 H\n0.652413 0.685129 0.431936 H\n0.604747 0.759402 0.726171 H\n0.211324 0.560413 0.654050 H\n0.141382 0.985553 0.504443 H\n0.168776 0.228546 0.362223 H\n0.658845 0.046051 0.945871 H\n0.766839 0.022868 0.285898 H\n0.117200 0.190380 0.732548 H\n0.338584 0.908444 0.672447 H\n0.172687 0.601909 0.937457 C\n0.087654 0.623546 0.253129 C\n0.821939 0.699547 0.974730 C\n0.761525 0.712688 0.786258 C\n0.866335 0.540037 0.325522 C\n0.030159 0.644968 0.055788 C\n0.895933 0.657857 0.664830 C\n0.104215 0.602049 0.744561 C\n0.351183 0.150708 0.961744 C\n0.275938 0.187556 0.271292 C\n0.216575 0.204251 0.083656 C\n0.314540 0.033643 0.622280 C\n0.476745 0.123966 0.348286 C\n0.613531 0.074670 0.227772 C\n0.551951 0.085277 0.037608 C\n0.535687 0.103944 0.546370 C\n0.281981 0.163024 0.773939 N\n0.819820 0.661861 0.475151 N\n0.749611 0.123978 0.646190 O\n0.302383 0.650902 0.356975 O\n",
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"structure_string": "Al8 Co2 B4 O20\n1.0\n4.387094 0.000000 0.000000\n0.000000 6.873026 -2.301675\n0.000000 -0.000329 9.601406\nAl Co B O\n8 2 4 20\ndirect\n0.519960 0.702738 0.331663 Al\n0.480039 0.297263 0.668339 Al\n0.005618 0.075513 0.391476 Al\n0.994381 0.924488 0.608525 Al\n0.505617 0.924488 0.108525 Al\n0.494382 0.075513 0.891476 Al\n0.019961 0.297263 0.168338 Al\n0.980039 0.702738 0.831663 Al\n0.000000 0.500000 0.500001 Co\n0.500000 0.500000 0.000000 Co\n0.070184 0.708626 0.148893 B\n0.929815 0.291375 0.851108 B\n0.429816 0.708625 0.648893 B\n0.570184 0.291375 0.351108 B\n0.741718 0.120458 0.242897 O\n0.258281 0.879543 0.757104 O\n0.800571 0.288949 0.995515 O\n0.207238 0.541393 0.185443 O\n0.240897 0.281482 0.344611 O\n0.758280 0.120458 0.742898 O\n0.199428 0.711052 0.004486 O\n0.292761 0.541393 0.685443 O\n0.716597 0.887598 0.938528 O\n0.759102 0.718519 0.655390 O\n0.259102 0.281482 0.844611 O\n0.216597 0.112402 0.561473 O\n0.792761 0.458607 0.814559 O\n0.699427 0.288949 0.495515 O\n0.783402 0.887598 0.438528 O\n0.300572 0.711052 0.504486 O\n0.707238 0.458607 0.314558 O\n0.740897 0.718519 0.155390 O\n0.283402 0.112402 0.061473 O\n0.241719 0.879543 0.257103 O\n",
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