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"id": "jvasp-52824",
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"structure_string": "Tl2 H12 N6 O24\n1.0\n5.995813 3.461684 3.454446\n-5.995813 3.461684 3.454446\n-0.000000 -6.923369 3.454446\nTl H N O\n2 12 6 24\ndirect\n0.754858 0.754858 0.754859 Tl\n0.245143 0.245143 0.245143 Tl\n0.638800 0.325737 0.373989 H\n0.373988 0.638800 0.325738 H\n0.325737 0.373988 0.638801 H\n0.361201 0.674264 0.626014 H\n0.626013 0.361201 0.674265 H\n0.674264 0.626013 0.361202 H\n0.155830 0.590519 0.302974 H\n0.302973 0.155830 0.590520 H\n0.409482 0.697027 0.844172 H\n0.844171 0.409482 0.697028 H\n0.697027 0.844171 0.409482 H\n0.590519 0.302973 0.155831 H\n0.337738 0.894398 0.132446 N\n0.894398 0.132445 0.337739 N\n0.132445 0.337738 0.894399 N\n0.662262 0.105602 0.867556 N\n0.867556 0.662263 0.105603 N\n0.105602 0.867555 0.662263 N\n0.700211 0.651577 0.063551 O\n0.352448 0.271803 0.557765 O\n0.442237 0.647552 0.728199 O\n0.728198 0.442237 0.647553 O\n0.647552 0.728198 0.442238 O\n0.936451 0.299790 0.348424 O\n0.348424 0.936451 0.299791 O\n0.299790 0.348424 0.936452 O\n0.063550 0.700211 0.651578 O\n0.651577 0.063550 0.700212 O\n0.005634 0.035142 0.292749 O\n0.632048 0.250775 0.944374 O\n0.035142 0.292748 0.005634 O\n0.994367 0.964859 0.707254 O\n0.707252 0.994367 0.964860 O\n0.964859 0.707252 0.994368 O\n0.749226 0.055628 0.367953 O\n0.367953 0.749226 0.055629 O\n0.055628 0.367953 0.749226 O\n0.250775 0.944373 0.632049 O\n0.271803 0.557764 0.352449 O\n0.944373 0.632048 0.250776 O\n0.292748 0.005634 0.035142 O\n0.557764 0.352448 0.271804 O\n",
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{
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"structure_string": "Sr8 Cl12 O2\n1.0\n9.486424 -0.000000 -0.000000\n-4.743212 8.215484 0.000000\n-0.000000 -0.000000 7.193479\nSr Cl O\n8 12 2\ndirect\n0.666667 0.333333 0.827370 Sr\n0.803834 0.196165 0.394581 Sr\n0.607669 0.803834 0.894581 Sr\n0.196165 0.803834 0.894581 Sr\n0.392330 0.196165 0.394581 Sr\n0.803834 0.607669 0.394581 Sr\n0.196165 0.392330 0.894581 Sr\n0.333333 0.666667 0.327370 Sr\n0.279914 0.139957 0.786913 Cl\n0.139957 0.860043 0.286913 Cl\n0.466988 0.533012 0.606669 Cl\n0.933975 0.466988 0.106669 Cl\n0.466988 0.933975 0.606669 Cl\n0.066024 0.533012 0.606669 Cl\n0.533012 0.466988 0.106669 Cl\n0.860043 0.139957 0.786913 Cl\n0.720086 0.860043 0.286913 Cl\n0.139957 0.279914 0.286913 Cl\n0.860043 0.720086 0.786913 Cl\n0.533012 0.066024 0.106669 Cl\n0.333333 0.666667 -0.000411 O\n0.666667 0.333333 0.499589 O\n",
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{
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"structure_string": "Al2 P2 O8\n1.0\n4.592927 -0.045602 -0.000000\n-1.668114 4.279539 0.000000\n-0.000000 -0.000000 6.028755\nAl P O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.347988 0.652013 0.750001 P\n0.652014 0.347988 0.250000 P\n0.762544 0.237457 0.458889 O\n0.237458 0.762544 0.958889 O\n0.237458 0.762544 0.541112 O\n0.762544 0.237457 0.041112 O\n0.220108 0.280874 0.750001 O\n0.779895 0.719127 0.250000 O\n0.280874 0.220108 0.250000 O\n0.719127 0.779894 0.750001 O\n",
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{
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"structure_string": "Cr2 P2 O10\n1.0\n5.929831 0.000000 -0.000000\n-0.000000 5.929831 0.000000\n-0.000000 -0.000000 4.485874\nCr P O\n2 2 10\ndirect\n0.250000 0.250000 0.797218 Cr\n0.750000 0.750000 0.202781 Cr\n0.250000 0.750000 0.499999 P\n0.750000 0.250000 0.499999 P\n0.049505 0.814899 0.298917 O\n0.185101 0.549504 0.701082 O\n0.250000 0.250000 0.147021 O\n0.314899 0.950495 0.701082 O\n0.450495 0.685101 0.298917 O\n0.549504 0.314899 0.701082 O\n0.685101 0.049505 0.298917 O\n0.750000 0.750000 0.852978 O\n0.814899 0.450495 0.298917 O\n0.950495 0.185101 0.701082 O\n",
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"structure_string": "C4 I4 Cl4 F16\n1.0\n4.957540 -0.097571 0.000000\n-0.384681 4.943556 0.000000\n-0.000000 0.000000 19.804950\nC I Cl F\n4 4 4 16\ndirect\n0.288198 0.711803 0.423685 C\n0.788198 0.211803 0.076315 C\n0.711802 0.288198 0.576315 C\n0.211802 0.788199 0.923685 C\n0.646392 0.353609 0.687097 I\n0.853609 0.146392 0.187097 I\n0.353609 0.646392 0.312903 I\n0.146392 0.853609 0.812903 I\n0.829971 0.170029 0.853972 Cl\n0.329971 0.670030 0.646028 Cl\n0.670029 0.329971 0.353972 Cl\n0.170029 0.829972 0.146028 Cl\n0.802031 0.525991 0.548360 F\n0.071652 0.928349 0.301776 F\n0.571652 0.428349 0.198224 F\n0.525990 0.802031 0.451640 F\n0.928348 0.071652 0.698224 F\n0.974010 0.697970 0.951640 F\n0.474010 0.197970 0.548360 F\n0.891402 0.108599 0.566959 F\n0.302030 0.025990 0.951640 F\n0.197970 0.474010 0.451640 F\n0.108598 0.891403 0.433041 F\n0.608598 0.391402 0.066959 F\n0.428348 0.571652 0.801776 F\n0.391402 0.608599 0.933041 F\n0.025990 0.302031 0.048360 F\n0.697970 0.974011 0.048360 F\n",
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}