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{
"id": "jvasp-3465",
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{
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{
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"structure_string": "Cr4 O10\n1.0\n11.098296 0.000000 0.000000\n0.000000 5.004266 -1.775003\n0.000000 -0.000000 3.550008\nCr O\n4 10\ndirect\n0.148036 0.902356 0.951179 Cr\n0.351964 0.097645 0.548823 Cr\n0.648036 0.097645 0.548823 Cr\n0.851964 0.902356 0.951179 Cr\n0.000000 0.023676 0.011838 O\n0.133811 0.589941 0.794972 O\n0.182638 0.001770 0.500885 O\n0.317363 0.998229 0.999116 O\n0.366189 0.410060 0.705031 O\n0.500000 0.976325 0.488164 O\n0.633811 0.410060 0.705031 O\n0.866189 0.589941 0.794972 O\n0.682638 0.998229 0.999116 O\n0.817363 0.001770 0.500885 O\n",
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{
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"updated_at": "2022-09-04T14:38:02.423718Z",
"structure_string": "Mn3 P3 O12\n1.0\n4.942206 -0.000104 -0.000041\n-2.471193 4.280088 0.000092\n-0.000100 0.000197 11.393367\nMn P O\n3 3 12\ndirect\n0.000008 0.435480 0.666669 Mn\n0.564536 0.564532 0.000003 Mn\n0.435472 0.000008 0.333339 Mn\n0.000003 0.415518 0.166672 P\n0.584483 0.584483 0.500003 P\n0.415516 0.000001 0.833337 P\n0.903824 0.548196 0.061526 O\n0.902109 0.625249 0.538330 O\n0.374775 0.276864 0.871669 O\n0.451817 0.355634 0.394856 O\n0.625230 0.902099 0.461676 O\n0.276865 0.374765 0.128343 O\n0.355627 0.451810 0.605150 O\n0.644353 0.096201 0.728183 O\n0.097895 0.723120 0.795010 O\n0.096200 0.644344 0.271827 O\n0.548199 0.903820 0.938480 O\n0.723114 0.097894 0.204996 O\n",
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{
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"updated_at": "2022-09-04T14:38:35.099395Z",
"structure_string": "Li2 V2 P4 O14\n1.0\n6.323501 0.036644 -0.004064\n0.925084 6.325099 0.037914\n2.655700 0.243835 6.217075\nLi V P O\n2 2 4 14\ndirect\n0.706312 0.005373 0.828655 Li\n0.293686 0.994625 0.171346 Li\n0.908479 0.356141 0.214705 V\n0.091520 0.643858 0.785296 V\n0.216053 0.129170 0.764798 P\n0.347878 0.395668 0.348901 P\n0.652121 0.604331 0.651100 P\n0.783946 0.870829 0.235202 P\n0.639144 0.788142 0.473693 O\n0.779314 0.687149 0.772512 O\n0.612445 0.958776 0.137363 O\n0.400460 0.587007 0.794735 O\n0.221686 0.597465 0.468777 O\n0.778313 0.402534 0.531223 O\n0.360855 0.211857 0.526308 O\n0.053488 0.328983 0.881785 O\n0.220685 0.312850 0.227488 O\n0.064988 0.969599 0.748454 O\n0.935011 0.030400 0.251547 O\n0.599539 0.412992 0.205265 O\n0.387554 0.041223 0.862638 O\n0.946511 0.671015 0.118216 O\n",
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"structure_string": "K2 Mn1 F6\n1.0\n4.954873 0.000000 2.860697\n1.651624 4.671500 2.860697\n0.000000 0.000000 5.721396\nK Mn F\n2 1 6\ndirect\n0.749999 0.750000 0.750002 K\n0.250000 0.250000 0.250001 K\n0.000000 0.000000 0.000000 Mn\n0.226144 0.773855 0.773857 F\n0.226144 0.773855 0.226146 F\n0.773854 0.226145 0.773857 F\n0.773854 0.226145 0.226146 F\n0.773854 0.773855 0.226146 F\n0.226145 0.226145 0.773856 F\n",
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{
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"structure_string": "Li2 Ni2 P4 O14\n1.0\n8.203486 0.000000 0.000000\n-0.000000 4.501933 1.553619\n-0.000000 -0.140669 6.904531\nLi Ni P O\n2 2 4 14\ndirect\n0.507226 0.844176 0.693233 Li\n0.007225 0.155824 0.306767 Li\n0.153301 0.809117 0.693647 Ni\n0.653301 0.190882 0.306354 Ni\n0.817913 0.575912 0.557294 P\n0.207071 0.849571 0.042700 P\n0.707071 0.150428 0.957300 P\n0.317913 0.424087 0.442706 P\n0.480583 0.255994 0.469267 O\n0.169513 0.220921 0.497120 O\n0.824757 0.348123 0.441169 O\n0.056963 0.721863 0.952920 O\n0.305179 0.591578 0.203002 O\n0.805179 0.408421 0.796998 O\n0.980583 0.744005 0.530733 O\n0.324757 0.651876 0.558831 O\n0.669513 0.779078 0.502881 O\n0.815955 0.083518 0.153133 O\n0.315954 0.916481 0.846867 O\n0.668751 0.906957 0.874833 O\n0.556963 0.278136 0.047081 O\n0.168750 0.093042 0.125167 O\n",
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{
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"created_at": "2022-09-04T14:38:28.352306Z",
"updated_at": "2022-09-04T14:38:28.352331Z",
"structure_string": "Li3 V3 C6 O18\n1.0\n7.982813 0.046029 0.020881\n4.061968 6.872251 0.020881\n0.009157 0.005260 5.231600\nLi V C O\n3 3 6 18\ndirect\n0.665507 0.001102 0.499837 Li\n-0.001101 0.334493 0.500163 Li\n0.332189 0.667811 0.500000 Li\n0.326384 0.006939 0.000013 V\n0.993061 0.673616 -0.000013 V\n0.659707 0.340293 -0.000000 V\n0.334507 0.333093 0.760362 C\n0.333554 0.332175 0.239583 C\n0.000218 0.998838 0.239613 C\n0.666907 0.665493 0.239638 C\n0.667825 0.666446 0.760417 C\n0.001162 0.999782 0.760387 C\n0.231507 0.520716 0.233269 O\n0.522152 0.242269 0.240322 O\n0.247096 0.231174 0.240549 O\n0.435508 0.419555 0.759406 O\n0.102172 0.086237 0.759442 O\n0.898165 0.187375 0.233311 O\n0.145964 0.435158 0.766641 O\n0.855502 0.575590 0.240345 O\n0.564843 0.854036 0.233358 O\n0.757731 0.477849 0.759678 O\n0.768827 0.752904 0.759450 O\n0.580445 0.564492 0.240593 O\n0.913764 0.897828 0.240557 O\n0.424410 0.144498 0.759655 O\n0.479284 0.768493 0.766730 O\n0.188818 0.908928 0.240356 O\n0.091072 0.811183 0.759643 O\n0.812625 0.101835 0.766689 O\n",
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{
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"structure_string": "Li4 Co4 Si4 O16\n1.0\n5.277124 0.000000 0.000000\n-0.000000 7.809347 2.140980\n-0.000000 0.124328 8.251017\nLi Co Si O\n4 4 4 16\ndirect\n0.841030 0.030438 0.076978 Li\n0.332485 0.496263 0.282960 Li\n0.158969 0.030439 0.576978 Li\n0.667514 0.496263 0.782960 Li\n0.332578 0.134137 0.200962 Co\n0.832795 0.626081 0.393292 Co\n0.667421 0.134137 0.700962 Co\n0.167204 0.626081 0.893292 Co\n0.169495 0.261870 0.821969 Si\n0.337138 0.752028 0.513965 Si\n0.830504 0.261870 0.321969 Si\n0.662862 0.752028 0.013964 Si\n0.312736 0.434249 0.843595 O\n0.214447 0.786372 0.685332 O\n0.871385 0.302028 0.764041 O\n0.320802 0.188331 0.681783 O\n0.624968 0.673394 0.556323 O\n0.316363 0.947419 0.387521 O\n0.177204 0.614814 0.438443 O\n0.375031 0.673394 0.056323 O\n0.687264 0.434249 0.343594 O\n0.785552 0.786372 0.185332 O\n0.128614 0.302028 0.264041 O\n0.679197 0.188331 0.181782 O\n0.822795 0.614814 0.938443 O\n0.175263 0.113783 0.006637 O\n0.824736 0.113783 0.506637 O\n0.683637 0.947419 0.887521 O\n",
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{
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"structure_string": "Li6 V2 F12\n1.0\n0.000000 5.056707 0.026572\n5.138301 0.000000 0.000000\n0.000000 -5.046197 -7.689993\nLi V F\n6 2 12\ndirect\n0.500000 0.000000 0.500000 Li\n0.267474 0.532114 0.262757 Li\n0.732527 0.032114 0.237243 Li\n0.500000 0.500000 0.000000 Li\n0.267473 0.967886 0.762757 Li\n0.732526 0.467886 0.737243 Li\n0.000000 0.000000 0.000000 V\n-0.000000 0.500000 0.500000 V\n0.269077 0.323811 0.440423 F\n0.730923 0.823810 0.059577 F\n0.076927 0.817601 0.414886 F\n0.368791 0.594675 0.734621 F\n0.631209 0.405324 0.265379 F\n0.076927 0.682399 0.914886 F\n0.269077 0.176189 0.940423 F\n0.730923 0.676189 0.559577 F\n0.923073 0.317601 0.085114 F\n0.368791 0.905324 0.234621 F\n0.923073 0.182399 0.585113 F\n0.631208 0.094675 0.765379 F\n",
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{
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"structure_string": "Mg2 Ge1\n1.0\n3.908243 0.000000 2.256425\n1.302748 3.684727 2.256425\n0.000000 0.000000 4.512850\nMg Ge\n2 1\ndirect\n0.750000 0.750001 0.750001 Mg\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Ge\n",
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{
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"created_at": "2022-09-04T14:38:49.584629Z",
"updated_at": "2022-09-04T14:38:49.584653Z",
"structure_string": "Ca16 In6\n1.0\n9.323021 -0.004312 -1.813541\n-5.115795 7.945005 -1.479464\n-0.011372 -0.020498 9.636640\nCa In\n16 6\ndirect\n0.921125 0.769163 0.391880 Ca\n0.228013 0.846854 0.202850 Ca\n0.537753 0.705337 0.794260 Ca\n0.961079 0.061272 0.171267 Ca\n0.038921 0.938728 0.828734 Ca\n0.771988 0.153146 0.797151 Ca\n0.879355 0.399494 0.146042 Ca\n0.667612 0.120852 0.388016 Ca\n0.462247 0.294663 0.205740 Ca\n0.332388 0.879147 0.611985 Ca\n0.297923 0.501436 0.387180 Ca\n0.120645 0.600505 0.853959 Ca\n0.533644 0.703002 0.149200 Ca\n0.466357 0.296997 0.850801 Ca\n0.702077 0.498564 0.612820 Ca\n0.078875 0.230836 0.608120 Ca\n0.500000 0.000000 0.000000 In\n0.826775 0.662090 -0.000132 In\n0.676125 0.838881 0.525389 In\n0.000000 0.500000 0.500000 In\n0.173225 0.337910 0.000133 In\n0.323876 0.161119 0.474612 In\n",
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}
]
}