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{
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"structure_string": "Zn2 H40 S4 N4 O28\n1.0\n12.596225 0.000000 0.000000\n0.000000 6.282919 0.000000\n0.000000 2.653741 8.878697\nZn H S N O\n2 40 4 4 28\ndirect\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.166088 0.803289 0.560401 H\n0.666088 0.196711 0.939599 H\n0.833912 0.196711 0.439599 H\n0.333912 0.803289 0.060401 H\n0.196715 0.606855 0.726060 H\n0.696715 0.393145 0.773940 H\n0.803285 0.393145 0.273940 H\n0.303285 0.606855 0.226060 H\n0.163756 0.534066 0.570950 H\n0.663756 0.465934 0.929050 H\n0.836244 0.465934 0.429050 H\n0.336244 0.534066 0.070950 H\n0.069698 0.638769 0.664138 H\n0.569698 0.361231 0.835862 H\n0.930302 0.361231 0.335862 H\n0.430302 0.638769 0.164138 H\n0.408220 0.680075 0.715473 H\n0.908220 0.319925 0.784527 H\n0.591780 0.319925 0.284527 H\n0.091780 0.680075 0.215473 H\n0.374775 0.910110 0.745818 H\n0.874775 0.089890 0.754182 H\n0.625225 0.089890 0.254182 H\n0.125225 0.910110 0.245818 H\n0.402777 0.055311 0.229881 H\n0.902777 0.944689 0.270119 H\n0.597223 0.944689 0.770119 H\n0.097223 0.055311 0.729881 H\n0.316590 0.989009 0.358738 H\n0.816590 0.010991 0.141262 H\n0.683410 0.010991 0.641262 H\n0.183410 0.989009 0.858738 H\n0.560127 0.656585 0.410580 H\n0.060127 0.343415 0.089420 H\n0.439873 0.343415 0.589420 H\n0.939873 0.656585 0.910580 H\n0.645250 0.671261 0.532226 H\n0.145250 0.328739 0.967774 H\n0.354750 0.328739 0.467774 H\n0.854750 0.671261 0.032226 H\n0.362156 0.260358 0.907129 S\n0.862156 0.739642 0.592871 S\n0.637844 0.739642 0.092871 S\n0.137844 0.260358 0.407129 S\n0.149392 0.646335 0.631190 N\n0.649392 0.353665 0.868810 N\n0.850608 0.353665 0.368810 N\n0.350608 0.646335 0.131190 N\n0.269981 0.410574 0.911112 O\n0.769981 0.589426 0.588888 O\n0.730019 0.589426 0.088888 O\n0.230019 0.410574 0.411112 O\n0.422550 0.214599 0.049351 O\n0.922550 0.785401 0.450649 O\n0.577450 0.785401 0.950649 O\n0.077450 0.214599 0.549351 O\n0.432876 0.378652 0.778598 O\n0.932876 0.621348 0.721402 O\n0.567124 0.621348 0.221402 O\n0.067124 0.378652 0.278598 O\n0.321831 0.047984 0.882624 O\n0.821831 0.952016 0.617376 O\n0.678169 0.952016 0.117376 O\n0.178169 0.047984 0.382624 O\n0.388264 0.836729 0.666527 O\n0.888264 0.163271 0.833473 O\n0.611736 0.163271 0.333473 O\n0.111736 0.836729 0.166527 O\n0.390475 0.958587 0.334313 O\n0.890475 0.041413 0.165687 O\n0.609525 0.041413 0.665687 O\n0.109525 0.958587 0.834313 O\n0.568226 0.690965 0.507571 O\n0.068226 0.309035 0.992429 O\n0.431774 0.309035 0.492429 O\n0.931774 0.690965 0.007571 O\n",
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{
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"structure_string": "Ca3 Mg1 Fe2 C6 O18\n1.0\n2.447400 -4.239021 0.000000\n2.447400 4.239021 0.000000\n0.000000 0.000000 16.206289\nCa Mg Fe C O\n3 1 2 6 18\ndirect\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.833529 Ca\n0.333333 0.666667 0.166471 Ca\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.333347 Fe\n0.333333 0.666667 0.666653 Fe\n0.666667 0.333333 0.589605 C\n0.333333 0.666667 0.923333 C\n0.000000 0.000000 0.256278 C\n0.000000 0.000000 0.743722 C\n0.666667 0.333333 0.076667 C\n0.333333 0.666667 0.410395 C\n0.613286 0.915055 0.922427 O\n0.277561 0.251370 0.255095 O\n0.944275 0.584605 0.588419 O\n0.301769 0.386714 0.922427 O\n0.973809 0.722439 0.255095 O\n0.640330 0.055725 0.588419 O\n0.084945 0.698231 0.922427 O\n0.748630 0.026191 0.255095 O\n0.415395 0.359670 0.588419 O\n0.386714 0.084945 0.077573 O\n0.055725 0.415395 0.411581 O\n0.722439 0.748630 0.744905 O\n0.698231 0.613286 0.077573 O\n0.359670 0.944275 0.411581 O\n0.026191 0.277561 0.744905 O\n0.915055 0.301769 0.077573 O\n0.584605 0.640330 0.411581 O\n0.251370 0.973809 0.744905 O\n",
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"formula_full": "Ca3 Mg1 Fe2 C6 O18",
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{
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"created_at": "2022-09-04T14:41:31.147191Z",
"structure_string": "Sr4 La2 Ti4 Nb6 O30\n1.0\n3.960071 0.000000 0.000000\n0.000000 12.440212 0.000000\n0.000000 0.000000 12.531315\nSr La Ti Nb O\n4 2 4 6 30\ndirect\n0.000000 0.330061 0.168336 Sr\n0.000000 0.669939 0.831664 Sr\n0.000000 0.830061 0.331664 Sr\n0.000000 0.169939 0.668336 Sr\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.500000 0.288611 0.421484 Ti\n0.500000 0.711389 0.578516 Ti\n0.500000 0.788611 0.078516 Ti\n0.500000 0.211389 0.921484 Ti\n0.500000 0.580288 0.288851 Nb\n0.500000 0.419712 0.711149 Nb\n0.500000 0.919712 0.788851 Nb\n0.500000 0.080288 0.211149 Nb\n0.500000 0.000000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.500000 0.339850 0.007018 O\n0.500000 0.660150 0.992982 O\n0.500000 0.839850 0.492982 O\n0.500000 0.160150 0.507018 O\n0.500000 0.986962 0.339575 O\n0.500000 0.013038 0.660425 O\n0.500000 0.513038 0.839575 O\n0.500000 0.486962 0.160425 O\n0.000000 0.303048 0.422114 O\n0.000000 0.696952 0.577886 O\n0.000000 0.803048 0.077886 O\n0.000000 0.196952 0.922114 O\n0.000000 0.579797 0.300401 O\n0.000000 0.420203 0.699599 O\n0.000000 0.920203 0.800401 O\n0.000000 0.079797 0.199599 O\n0.500000 0.438308 0.368666 O\n0.500000 0.561692 0.631334 O\n0.500000 0.938308 0.131334 O\n0.500000 0.061692 0.868666 O\n0.500000 0.634383 0.437251 O\n0.500000 0.365617 0.562749 O\n0.500000 0.865617 0.937251 O\n0.500000 0.134383 0.062749 O\n0.500000 0.228498 0.272812 O\n0.500000 0.771502 0.727188 O\n0.500000 0.728498 0.227188 O\n0.500000 0.271502 0.772812 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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{
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{
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{
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{
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