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{
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{
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"structure_string": "Li3 Rh1 F6\n1.0\n4.763468 -0.000000 2.750189\n1.587823 4.491041 2.750189\n-0.000000 -0.000000 5.500379\nLi Rh F\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Rh\n0.746539 0.253461 0.253461 F\n0.253461 0.253461 0.746539 F\n0.253461 0.746539 0.746540 F\n0.253461 0.746539 0.253461 F\n0.746539 0.253461 0.746539 F\n0.746539 0.746539 0.253461 F\n",
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"structure_string": "H12 C24 S6\n1.0\n6.550367 0.208018 -1.240865\n-0.164483 7.890542 -0.250367\n0.166993 -0.074089 9.526559\nH C S\n12 24 6\ndirect\n0.212146 0.078904 0.965222 H\n0.954731 0.302004 0.900291 H\n0.848753 0.068494 0.037941 H\n0.348754 0.068494 0.537942 H\n0.588054 0.287720 0.972398 H\n0.088056 0.287721 0.472398 H\n0.454731 0.302004 0.400292 H\n0.255168 0.552031 0.630268 H\n0.812899 0.790604 0.962763 H\n0.312900 0.790605 0.462764 H\n0.712147 0.078905 0.465222 H\n0.755168 0.552031 0.130269 H\n0.004775 0.313155 0.683155 C\n0.504774 0.313154 0.183155 C\n0.977058 0.942301 0.295393 C\n0.477058 0.942300 0.795394 C\n0.856850 0.452075 0.643054 C\n0.183487 0.120793 0.856014 C\n0.683488 0.120794 0.356014 C\n0.038198 0.247704 0.820097 C\n0.538198 0.247705 0.320097 C\n0.800604 0.055948 0.255540 C\n0.356849 0.452074 0.143054 C\n0.300604 0.055947 0.755540 C\n0.261128 0.118313 0.617057 C\n0.115987 0.243218 0.580903 C\n0.163998 0.746827 0.475840 C\n0.663997 0.746826 0.975840 C\n0.615985 0.243217 0.080902 C\n0.632652 0.617027 0.063403 C\n0.927524 0.580218 0.559712 C\n0.132653 0.617028 0.563403 C\n0.984144 0.816006 0.402621 C\n0.484143 0.816005 0.902621 C\n0.761127 0.118313 0.117057 C\n0.427523 0.580218 0.059712 C\n0.630737 0.457144 0.693259 S\n0.773011 0.715359 0.447629 S\n0.273009 0.715358 0.947629 S\n0.183056 0.963987 0.220609 S\n0.683057 0.963986 0.720609 S\n0.130736 0.457144 0.193260 S\n",
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"structure_string": "Ca4 Fe4 O8\n1.0\n-3.263694 0.023108 -0.024718\n0.035408 7.740005 0.023734\n-0.046424 -2.475272 -7.460279\nCa Fe O\n4 4 8\ndirect\n0.754266 0.215842 0.057706 Ca\n0.269754 0.812367 0.922213 Ca\n0.274696 0.079185 0.674249 Ca\n0.749335 0.949017 0.305666 Ca\n0.247080 0.576969 0.184981 Fe\n0.207809 0.355751 0.436385 Fe\n0.816237 0.672448 0.543547 Fe\n0.777011 0.451247 0.794933 Fe\n0.310002 0.568277 0.669052 O\n0.246185 0.805069 0.428370 O\n0.777856 0.223125 0.551542 O\n0.714096 0.459927 0.310873 O\n0.768351 0.679994 0.057455 O\n0.250592 0.081091 0.181569 O\n0.255663 0.348207 0.922459 O\n0.773431 0.947109 0.798342 O\n",
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{
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"structure_string": "Be2 Zn1 P1\n1.0\n2.602956 0.000000 -0.000000\n0.000000 2.602956 0.000000\n0.000000 0.000000 6.946491\nBe Zn P\n2 1 1\ndirect\n0.000000 0.000000 0.744581 Be\n0.000000 0.000000 0.255419 Be\n0.500001 0.500001 0.500000 Zn\n0.500001 0.500001 0.000000 P\n",
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{
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"structure_string": "Nb1 Zn1 O4\n1.0\n3.292859 -3.479179 0.000000\n3.292859 3.479179 0.000000\n0.000000 0.000000 3.081127\nNb Zn O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Zn\n0.196953 0.196953 0.500000 O\n0.687860 0.312141 0.000000 O\n0.312141 0.687860 0.000000 O\n0.803048 0.803048 0.500000 O\n",
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{
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"structure_string": "Ta1 Mn1 O4\n1.0\n-1.941667 1.941667 4.681133\n1.941667 -1.941667 4.681133\n1.941667 1.941667 -4.681133\nTa Mn O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ta\n0.750002 0.250000 0.500002 Mn\n0.961720 0.461718 0.500002 O\n0.786087 0.786087 0.000000 O\n0.538283 0.038281 0.500002 O\n0.213912 0.213912 0.000000 O\n",
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"structure_string": "Y4 Ti2 Nb2 O15\n1.0\n6.325908 0.016264 -3.570057\n-2.084961 5.890121 -3.704334\n0.009822 -0.016264 7.263768\nY Ti Nb O\n4 2 2 15\ndirect\n0.255205 0.503487 0.248283 Y\n0.255205 0.006923 0.751718 Y\n0.257003 0.500368 0.756635 Y\n0.743734 0.500368 0.243365 Y\n0.761910 0.997945 0.236038 Ti\n0.761910 0.525872 0.763963 Ti\n0.760576 0.998090 0.762486 Nb\n0.235603 0.998090 0.237515 Nb\n0.420741 0.914987 0.097712 O\n0.817275 0.914987 0.494246 O\n0.420741 0.323029 0.505755 O\n0.818979 0.318979 0.500000 O\n0.421128 0.921128 0.500000 O\n0.637044 0.635948 0.538402 O\n0.653189 0.653189 -0.000000 O\n0.637044 0.098640 0.001095 O\n0.097546 0.635948 0.998905 O\n0.817275 0.323029 0.902288 O\n0.115453 0.115453 -0.000000 O\n0.380424 0.380424 -0.000000 O\n0.123290 0.623290 0.500000 O\n0.097546 0.098641 0.461598 O\n0.886182 0.886181 -0.000000 O\n",
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{
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{
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{
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"updated_at": "2022-09-04T14:38:06.766940Z",
"structure_string": "Mo2 P2 O10\n1.0\n4.187744 -0.000000 0.000000\n-0.000000 6.271246 -0.000000\n-0.000000 0.000000 6.271246\nMo P O\n2 2 10\ndirect\n0.804739 0.750000 0.750000 Mo\n0.195259 0.250000 0.250000 Mo\n0.499999 0.750000 0.250000 P\n0.499999 0.250000 0.750000 P\n0.712862 0.799866 0.443711 O\n0.712862 0.056290 0.799866 O\n0.712862 0.443711 0.700135 O\n0.712862 0.700135 0.056290 O\n0.790068 0.250000 0.250000 O\n0.209932 0.750000 0.750000 O\n0.287136 0.299867 0.943710 O\n0.287136 0.200134 0.556290 O\n0.287136 0.943710 0.200134 O\n0.287136 0.556290 0.299867 O\n",
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]
}