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"structure_string": "Ni9 O13\n1.0\n2.868826 -0.000839 -0.000579\n-1.433768 4.764483 -0.053941\n-1.430805 -2.336225 16.025572\nNi O\n9 13\ndirect\n0.000001 0.500000 0.500000 Ni\n0.397149 0.751371 0.042823 Ni\n0.602854 0.248629 0.957177 Ni\n0.667914 0.919599 0.415977 Ni\n0.332088 0.080401 0.584023 Ni\n0.186736 0.247090 0.125908 Ni\n0.813267 0.752910 0.874092 Ni\n0.329050 0.334720 0.322589 Ni\n0.670952 0.665280 0.677411 Ni\n0.996761 0.384170 0.609574 O\n0.003241 0.615830 0.390426 O\n0.300897 0.922182 0.680239 O\n0.699106 0.077818 0.319761 O\n0.428012 -0.003353 0.859698 O\n0.344803 0.463755 0.225391 O\n0.228286 0.524849 0.931896 O\n0.771716 0.475151 0.068104 O\n0.655200 0.536246 0.774609 O\n0.336936 0.202503 0.471408 O\n0.000000 0.000000 0.000000 O\n0.571992 0.003354 0.140302 O\n0.663066 0.797497 0.528592 O\n",
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{
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"structure_string": "Ba2 H8 O12\n1.0\n4.216038 3.183288 -0.497185\n-4.216038 3.183288 0.497185\n-0.006311 0.000000 8.148261\nBa H O\n2 8 12\ndirect\n0.787963 0.792104 0.768217 Ba\n0.207897 0.212038 0.268217 Ba\n0.269213 0.677866 0.562182 H\n0.673949 0.273463 0.974253 H\n0.726538 0.326052 0.474254 H\n0.322135 0.730787 0.062182 H\n0.363493 0.184161 0.653371 H\n0.815839 0.636508 0.153371 H\n0.180226 0.367719 0.883054 H\n0.632282 0.819774 0.383054 H\n0.453116 0.385805 0.966343 O\n0.381610 0.457036 0.570160 O\n0.011847 0.666460 0.202480 O\n0.662234 0.015764 0.333934 O\n-0.015764 0.337767 0.833933 O\n0.192879 0.845070 0.557054 O\n0.154930 0.807122 0.057054 O\n0.802906 0.158864 0.479352 O\n0.841136 0.197094 0.979352 O\n0.614196 0.546885 0.466343 O\n0.333541 0.988154 0.702480 O\n0.542964 0.618391 0.070160 O\n",
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"created_at": "2022-09-04T14:38:08.436064Z",
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"structure_string": "Li4 Ni2 C4 O12\n1.0\n5.099380 -0.001468 0.001677\n-2.507786 5.464775 0.012254\n-0.002523 -0.018636 7.848949\nLi Ni C O\n4 2 4 12\ndirect\n0.691409 0.315479 0.057543 Li\n0.815031 0.193154 0.557555 Li\n0.191361 0.815458 0.442203 Li\n0.315004 0.693096 0.942235 Li\n0.503207 0.504317 0.499884 Ni\n0.003208 0.004306 -0.000116 Ni\n0.277568 0.126737 0.735135 C\n0.228857 0.381869 0.235133 C\n0.777561 0.626731 0.764625 C\n0.728824 0.881865 0.264621 C\n0.907641 0.655105 0.910132 O\n0.598733 0.853477 0.410128 O\n0.896149 0.598283 0.624518 O\n0.519628 0.615909 0.753311 O\n0.486796 0.392706 0.246448 O\n0.019629 0.115907 0.746455 O\n0.098785 0.353506 0.089622 O\n0.407656 0.155119 0.589626 O\n0.396154 0.098290 0.875243 O\n0.610241 0.910312 0.124513 O\n0.110249 0.410296 0.375238 O\n0.986772 0.892710 0.253303 O\n",
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"structure_string": "Mg2 Co2 P2 O10\n1.0\n5.420128 -0.237313 -0.100810\n-1.427334 4.899628 0.274326\n-1.677044 -1.599404 6.012222\nMg Co P O\n2 2 2 10\ndirect\n0.776413 0.618920 0.224355 Mg\n0.233718 0.372575 0.746546 Mg\n0.505067 0.995733 0.485440 Co\n0.505095 0.995755 0.985435 Co\n0.158783 0.283033 0.240242 P\n0.851378 0.708468 0.730655 P\n0.350481 0.325458 0.093494 O\n0.132230 -0.008130 0.305788 O\n0.659684 0.666047 0.877405 O\n0.877909 0.999621 0.665094 O\n0.750110 0.475452 0.518822 O\n0.132815 0.702026 0.867646 O\n0.260075 0.516042 0.452082 O\n0.877362 0.289504 0.103252 O\n0.435793 0.101328 0.728117 O\n0.574364 0.890198 0.242758 O\n",
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"structure_string": "Cu2 H4 S2 O10\n1.0\n5.026271 0.102636 0.021590\n0.067554 5.224414 -0.047086\n-2.424991 -2.662924 6.829475\nCu H S O\n2 4 2 10\ndirect\n0.499999 0.500000 0.499999 Cu\n0.000000 0.000000 0.000000 Cu\n0.809274 0.418556 0.790190 H\n0.190725 0.581444 0.209809 H\n0.010143 0.450860 0.675779 H\n0.989856 0.549140 0.324220 H\n0.386338 0.080907 0.761854 S\n0.613660 0.919093 0.238144 S\n0.271681 0.210790 0.617333 O\n0.728318 0.789211 0.382666 O\n0.334484 0.776543 0.675014 O\n0.665515 0.223457 0.324985 O\n0.737712 0.819540 0.077634 O\n0.300315 0.836870 0.151743 O\n0.262286 0.180460 0.922364 O\n0.145973 0.462838 0.276428 O\n0.699683 0.163131 0.848256 O\n0.854025 0.537163 0.723570 O\n",
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}