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{
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{
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{
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"structure_string": "Rb2 Li1 Pr1 Cl6\n1.0\n6.428870 -0.000000 3.711710\n2.142957 6.061197 3.711710\n0.000000 -0.000000 7.423420\nRb Li Pr Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n0.739911 0.260089 0.260089 Cl\n0.260089 0.260089 0.739911 Cl\n0.260089 0.739912 0.739911 Cl\n0.260089 0.739912 0.260088 Cl\n0.739911 0.260089 0.739911 Cl\n0.739911 0.739912 0.260089 Cl\n",
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{
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"updated_at": "2022-09-04T14:37:07.817639Z",
"structure_string": "Li4 Mn6 W2 O16\n1.0\n5.818817 -0.025088 0.090496\n-2.931135 5.076875 -0.180993\n0.150630 -0.260898 9.672049\nLi Mn W O\n4 6 2 16\ndirect\n0.342088 0.656089 0.907028 Li\n0.019168 0.015594 0.989711 Li\n-0.019168 -0.003573 0.489711 Li\n0.657912 0.314001 0.407028 Li\n0.837036 0.659869 0.715508 Mn\n0.336648 0.166436 0.711015 Mn\n0.828063 0.169598 0.714806 Mn\n0.171937 0.341535 0.214806 Mn\n0.162964 0.822833 0.215508 Mn\n0.663352 0.829790 0.211015 Mn\n0.322442 0.646498 0.485337 W\n0.677558 0.324057 0.985337 W\n0.363542 0.211364 0.091838 O\n0.848958 0.683795 0.085418 O\n0.663701 0.325383 0.612193 O\n0.532523 0.025545 0.852382 O\n0.528331 0.477566 0.843910 O\n0.636458 0.847823 0.591839 O\n0.467477 0.493022 0.352382 O\n0.022541 0.500402 0.347526 O\n0.140782 0.346847 0.593882 O\n-0.001130 0.007508 0.803369 O\n0.001130 0.008638 0.303369 O\n0.336299 0.661683 0.112193 O\n0.977459 0.477860 0.847526 O\n0.151042 0.834837 0.585418 O\n0.471669 0.949236 0.343910 O\n0.859218 0.206066 0.093882 O\n",
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{
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"created_at": "2022-09-04T14:36:59.950781Z",
"updated_at": "2022-09-04T14:36:59.950804Z",
"structure_string": "Ca1 Cu3 Ge4 O12\n1.0\n5.973375 -0.000000 -2.111907\n-2.986687 5.173094 -2.111907\n-0.000000 -0.000000 6.335721\nCa Cu Ge O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Cu\n-0.000000 0.500000 0.499999 Cu\n0.500000 0.500000 -0.000001 Cu\n0.500000 0.000000 -0.000000 Ge\n-0.000000 0.500000 -0.000001 Ge\n0.500000 0.500000 0.499999 Ge\n0.000000 0.000000 0.500000 Ge\n0.300646 0.118014 0.817368 O\n0.881987 0.182632 0.699354 O\n0.817368 0.300646 0.118013 O\n0.516723 0.817367 0.699353 O\n0.699354 0.881986 0.182631 O\n0.118013 0.817367 0.300645 O\n0.483277 0.182632 0.300645 O\n0.300646 0.483276 0.182632 O\n0.817368 0.699354 0.516722 O\n0.182632 0.699354 0.881985 O\n0.182632 0.300646 0.483276 O\n0.699354 0.516723 0.817367 O\n",
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{
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"created_at": "2022-09-04T14:37:02.576172Z",
"updated_at": "2022-09-04T14:37:02.576206Z",
"structure_string": "Y1 Ti4 Cu3 O12\n1.0\n6.091047 0.000025 -2.153567\n-3.045487 5.275045 -2.153524\n-0.000038 -0.000010 6.460600\nY Ti Cu O\n1 4 3 12\ndirect\n-0.000002 -0.000002 0.999997 Y\n0.500001 0.000003 0.999998 Ti\n0.999997 0.999999 0.499998 Ti\n0.000003 0.500002 0.000001 Ti\n0.499999 0.499998 0.500000 Ti\n0.500000 -0.000000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.000001 0.500001 0.500001 Cu\n0.704208 0.528311 0.824102 O\n0.175898 0.295783 0.471685 O\n0.528310 0.824099 0.704210 O\n0.704208 0.880105 0.175896 O\n0.119892 0.824101 0.295792 O\n0.175899 0.704215 0.880115 O\n0.295793 0.471689 0.175899 O\n0.824102 0.704217 0.528317 O\n0.880107 0.175898 0.704209 O\n0.824102 0.295786 0.119886 O\n0.471690 0.175900 0.295791 O\n0.295792 0.119895 0.824103 O\n",
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{
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"structure_string": "H14 C18 S4 N2\n1.0\n5.757576 0.006454 -0.289023\n-0.221764 8.120325 -2.281689\n-0.019387 -0.122605 8.503883\nH C S N\n14 18 4 2\ndirect\n0.866602 0.891728 0.611611 H\n0.555417 0.928102 0.454733 H\n0.948948 0.018436 0.892298 H\n0.088349 0.128146 0.773185 H\n0.934309 0.966121 0.313043 H\n0.067438 0.499862 0.694735 H\n0.323794 0.511970 0.951228 H\n0.443082 0.057642 0.339078 H\n0.341673 0.774236 0.204727 H\n0.359802 0.891372 0.902493 H\n0.608760 0.386675 0.325171 H\n0.851401 0.646216 0.339716 H\n0.574643 0.133864 0.060436 H\n0.032822 0.235568 0.442910 H\n0.483005 0.739537 0.123202 C\n0.604424 0.026226 0.398281 C\n0.700591 0.176618 0.526539 C\n0.732236 0.432270 0.767136 C\n0.695773 0.822754 0.147836 C\n0.678269 0.567138 0.905717 C\n0.921942 0.411382 0.671153 C\n0.903154 0.266931 0.534569 C\n0.475102 0.595537 0.986533 C\n0.199187 0.583161 0.407145 C\n0.213088 0.193193 0.025835 C\n0.246692 0.437343 0.277962 C\n0.214417 0.818572 0.667880 C\n0.449832 0.351447 0.247347 C\n0.430740 0.213740 0.104082 C\n0.009467 0.809552 0.573263 C\n0.001812 0.676140 0.426956 C\n0.120276 0.068404 0.871906 C\n0.401898 0.662869 0.573356 S\n0.029415 0.344940 0.127884 S\n0.884219 0.726065 -0.002473 S\n0.533511 0.266841 0.690559 S\n0.283539 0.936348 0.813213 N\n0.766178 0.965726 0.268951 N\n",
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{
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"created_at": "2022-09-04T14:36:54.869362Z",
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"structure_string": "Sn1 H4 C3 O6\n1.0\n4.567388 -0.014961 -0.093348\n-0.650702 4.875326 -1.474005\n0.058160 -0.124099 6.705163\nSn H C O\n1 4 3 6\ndirect\n0.127067 0.133586 0.857375 Sn\n0.519581 0.656647 0.288288 H\n0.453769 0.450052 0.460371 H\n0.338418 0.604885 0.877794 H\n0.147400 0.956755 0.152849 H\n0.816188 0.347166 0.258329 C\n0.806484 0.773797 0.556942 C\n0.624432 0.553251 0.386045 C\n0.365511 0.421931 0.775967 O\n0.280678 0.927024 0.033740 O\n0.899084 0.398008 0.084859 O\n0.885320 0.157292 0.319390 O\n0.689192 0.937713 0.711450 O\n0.089294 0.804145 0.557518 O\n",
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"structure_string": "Ca2 Co2 Si4 O12\n1.0\n5.138196 -0.010877 1.019452\n1.183939 6.527025 0.658797\n-0.021606 0.056749 6.665890\nCa Co Si O\n2 2 4 12\ndirect\n0.250001 0.699754 0.300246 Ca\n0.750000 0.300245 0.699754 Ca\n0.750000 0.914404 0.085594 Co\n0.249999 0.085595 0.914406 Co\n0.727343 0.807147 0.616576 Si\n0.772658 0.383425 0.192852 Si\n0.227343 0.616574 0.807148 Si\n0.272657 0.192852 0.383424 Si\n0.145376 0.790087 0.972485 O\n0.354624 0.027516 0.209912 O\n0.514050 0.329216 0.374260 O\n0.674653 0.615205 0.109731 O\n0.825349 0.890268 0.384795 O\n0.325348 0.384794 0.890269 O\n0.174652 0.109731 0.615205 O\n0.014050 0.374260 0.329216 O\n0.485950 0.670782 0.625740 O\n0.985950 0.625739 0.670783 O\n0.854625 0.209912 0.027515 O\n0.645377 0.972483 0.790087 O\n",
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