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{
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{
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"structure_string": "Ca4 Cu2 Sb2 O12\n1.0\n0.000000 5.742770 0.117843\n7.490929 0.000000 0.000000\n0.000000 -1.422032 -5.838508\nCa Cu Sb O\n4 2 2 12\ndirect\n0.465347 0.750000 0.418653 Ca\n0.534653 0.250000 0.581348 Ca\n0.936689 0.750000 0.954907 Ca\n0.063312 0.250000 0.045094 Ca\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.349779 0.538978 0.686477 O\n0.570415 0.750000 0.059804 O\n0.650221 0.038978 0.313524 O\n0.097430 0.250000 0.442497 O\n0.127003 0.945748 0.233547 O\n0.872997 0.054252 0.766454 O\n0.127003 0.554252 0.233547 O\n0.349779 0.961022 0.686477 O\n0.902571 0.750000 0.557504 O\n0.650221 0.461022 0.313524 O\n0.872997 0.445748 0.766454 O\n0.429586 0.250000 0.940197 O\n",
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{
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"structure_string": "Ca2 Cu1 S2 O2\n1.0\n3.848878 -0.000000 0.000000\n0.000000 3.848878 0.000000\n0.000000 0.000000 7.717241\nCa Cu S O\n2 1 2 2\ndirect\n0.500000 0.500000 0.705507 Ca\n0.500000 0.500000 0.294492 Ca\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.860279 S\n0.000000 0.000000 0.139721 S\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
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{
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"structure_string": "Ca1 Cu3 Ru4 O12\n1.0\n6.083207 0.000000 -2.150738\n-3.041603 5.268211 -2.150738\n-0.000000 -0.000000 6.452214\nCa Cu Ru O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500001 0.500000 -0.000000 Cu\n0.500000 -0.000000 -0.000000 Ru\n0.000000 0.500000 -0.000000 Ru\n0.500001 0.500000 0.499999 Ru\n0.000000 0.000000 0.500000 Ru\n0.173461 0.866567 0.693106 O\n0.133433 0.306893 0.826539 O\n0.693107 0.173460 0.866566 O\n0.519647 0.693106 0.826539 O\n0.826540 0.133433 0.306893 O\n0.866568 0.693106 0.173460 O\n0.480354 0.306893 0.173460 O\n0.173461 0.480354 0.306893 O\n0.693107 0.826540 0.519646 O\n0.306894 0.826540 0.133433 O\n0.306894 0.173460 0.480353 O\n0.826540 0.519646 0.693106 O\n",
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{
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"structure_string": "Ca6 Cu2 Rh2 O12\n1.0\n6.477633 0.007741 -0.082879\n-0.147145 6.475966 -0.082879\n0.048371 0.049542 6.435624\nCa Cu Rh O\n6 2 2 12\ndirect\n0.614186 0.761763 0.876254 Ca\n0.761763 0.614186 0.376254 Ca\n0.100632 0.899369 0.749999 Ca\n0.385814 0.238237 0.123745 Ca\n0.899368 0.100631 0.250000 Ca\n0.238237 0.385814 0.623745 Ca\n0.307293 0.692707 0.250000 Cu\n0.692707 0.307293 0.749999 Cu\n0.500000 -0.000000 0.500000 Rh\n0.000000 0.500000 -0.000000 Rh\n0.603270 0.292579 0.455111 O\n0.530098 0.896920 0.206250 O\n0.208506 0.077413 0.432784 O\n0.103080 0.469902 0.293749 O\n0.396730 0.707422 0.544888 O\n0.791494 0.922588 0.567215 O\n0.077413 0.208506 0.932783 O\n0.922587 0.791494 0.067216 O\n0.469902 0.103080 0.793749 O\n0.292579 0.603270 0.955111 O\n0.707421 0.396730 0.044889 O\n0.896920 0.530098 0.706250 O\n",
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{
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"created_at": "2022-09-04T14:36:32.280374Z",
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"structure_string": "Ca4 Cu4 P8 O28\n1.0\n5.249704 0.000000 -0.115806\n0.000000 8.063472 0.000000\n0.016553 0.000000 12.304961\nCa Cu P O\n4 4 8 28\ndirect\n0.786985 0.179746 0.777623 Ca\n0.713013 0.679746 0.722376 Ca\n0.286986 0.320254 0.277623 Ca\n0.213013 0.820254 0.222376 Ca\n0.796424 0.139439 0.110661 Cu\n0.703575 0.639439 0.389338 Cu\n0.203575 0.860561 0.889338 Cu\n0.296424 0.360561 0.610661 Cu\n0.756676 0.526584 0.161959 P\n0.743322 0.026585 0.338040 P\n0.243322 0.473415 0.838041 P\n0.312286 0.201012 0.986335 P\n0.187713 0.701011 0.513665 P\n0.687713 0.798988 0.013665 P\n0.812286 0.298988 0.486335 P\n0.256677 0.973415 0.661959 P\n0.348863 0.604351 0.599611 O\n0.431669 0.375255 0.768001 O\n0.068330 0.875255 0.731999 O\n0.568329 0.624745 0.231999 O\n0.931669 0.124745 0.268000 O\n0.151136 0.104351 0.900389 O\n0.718640 0.319682 0.600672 O\n0.154411 0.150229 0.654160 O\n0.781358 0.819682 0.899327 O\n0.281359 0.680318 0.399327 O\n0.218640 0.180318 0.100672 O\n0.599215 0.165854 0.969572 O\n0.900783 0.665854 0.530427 O\n0.400784 0.834146 0.030427 O\n0.099216 0.334146 0.469572 O\n0.968223 0.459509 0.798157 O\n0.651136 0.395649 0.400389 O\n0.531775 0.959509 0.701843 O\n0.468223 0.040490 0.298157 O\n0.262722 0.395439 0.958196 O\n0.237277 0.895439 0.541804 O\n0.737277 0.604560 0.041804 O\n0.762721 0.104560 0.458196 O\n0.654411 0.349771 0.154160 O\n0.845587 0.849771 0.345839 O\n0.345588 0.650229 0.845839 O\n0.031776 0.540490 0.201843 O\n0.848863 0.895649 0.099611 O\n",
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"structure_string": "Ca4 Cu2 Ir2 O12\n1.0\n6.440294 -0.035624 -0.140366\n-0.143764 6.412876 -0.161935\n-0.035744 0.021590 6.416395\nCa Cu Ir O\n4 2 2 12\ndirect\n0.750000 0.602044 0.397956 Ca\n0.250000 0.397597 0.602402 Ca\n0.627676 0.737254 0.890096 Ca\n0.872324 0.109903 0.262745 Ca\n0.250001 0.852315 0.147685 Cu\n0.750000 0.184783 0.815216 Cu\n0.014505 0.497843 0.001660 Ir\n0.485495 -0.001660 0.502156 Ir\n0.054714 0.428498 0.293439 O\n0.445287 0.706561 0.571501 O\n0.720000 0.391428 0.034605 O\n0.780000 0.965395 0.608571 O\n0.292882 0.612690 0.966590 O\n0.951810 0.790594 0.110097 O\n0.040133 0.210577 0.899457 O\n0.459868 0.100543 0.789422 O\n0.573516 0.279569 0.438902 O\n0.548191 0.889903 0.209405 O\n0.207119 0.033409 0.387310 O\n0.926485 0.561098 0.720430 O\n",
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{
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"structure_string": "Ca6 Cu2 Ir2 O12\n1.0\n6.485294 0.054493 -0.053550\n-0.056237 6.500554 -0.148005\n0.052963 0.039490 6.502146\nCa Cu Ir O\n6 2 2 12\ndirect\n0.749999 0.599347 0.400653 Ca\n0.249999 0.400652 0.599349 Ca\n0.618686 0.740838 0.888972 Ca\n0.881312 0.111028 0.259161 Ca\n0.381312 0.259160 0.111029 Ca\n0.118686 0.888971 0.740840 Ca\n0.249999 0.805871 0.194129 Cu\n0.749999 0.194128 0.805872 Cu\n-0.000000 0.500000 0.000000 Ir\n0.499999 -0.000000 0.500000 Ir\n0.067084 0.425878 0.292211 O\n0.432914 0.707789 0.574122 O\n0.706404 0.402310 0.035782 O\n0.793594 0.964218 0.597691 O\n0.293594 0.597689 0.964220 O\n0.546540 0.904760 0.205895 O\n0.046540 0.205894 0.904762 O\n0.453459 0.095238 0.794106 O\n0.953459 0.794105 0.095239 O\n0.567084 0.292210 0.425879 O\n0.206405 0.035781 0.402310 O\n0.932914 0.574121 0.707790 O\n",
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{
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"structure_string": "Ca2 Cu1 Br2 O2\n1.0\n3.783892 -0.000000 -0.828697\n-0.181490 3.779537 -0.828697\n0.001252 0.001314 9.058831\nCa Cu Br O\n2 1 2 2\ndirect\n0.409467 0.409467 0.818935 Ca\n0.590531 0.590532 0.181063 Ca\n0.000001 0.000001 0.000003 Cu\n0.827706 0.827707 0.655413 Br\n0.172293 0.172293 0.344585 Br\n0.499999 -0.000000 -0.000000 O\n-0.000000 0.500000 -0.000000 O\n",
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]
}