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{
"id": "jvasp-99221",
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"structure_string": "Cd4 H8 Se4 O16\n1.0\n12.986013 0.000000 0.000000\n0.000000 5.969852 0.000000\n0.000000 -0.000000 5.042563\nCd H Se O\n4 8 4 16\ndirect\n0.774368 0.250000 0.085226 Cd\n0.274368 0.250000 0.414774 Cd\n0.225632 0.750000 0.914774 Cd\n0.725632 0.750000 0.585225 Cd\n0.891882 0.118179 0.537017 H\n0.391882 0.381821 0.962982 H\n0.108118 0.618179 0.462982 H\n0.608117 0.881821 0.037017 H\n0.108118 0.881821 0.462982 H\n0.608117 0.618179 0.037017 H\n0.891882 0.381821 0.537017 H\n0.391882 0.118179 0.962982 H\n0.086228 0.250000 0.005261 Se\n0.586228 0.250000 0.494738 Se\n0.913772 0.750000 -0.005261 Se\n0.413772 0.750000 0.505261 Se\n0.398453 0.250000 0.082412 O\n0.898453 0.250000 0.417588 O\n0.345189 0.531119 0.661076 O\n0.845189 0.968880 0.838923 O\n0.654811 0.031120 0.338924 O\n0.154811 0.468880 0.161076 O\n0.654811 0.468880 0.338924 O\n0.154811 0.031120 0.161076 O\n0.845189 0.531119 0.838923 O\n0.867695 0.750000 0.306381 O\n0.367695 0.750000 0.193618 O\n0.132305 0.250000 0.693618 O\n0.632305 0.250000 0.806381 O\n0.101547 0.750000 0.582412 O\n0.345189 0.968880 0.661076 O\n0.601547 0.750000 0.917588 O\n",
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"structure_string": "Sn4 O8\n1.0\n3.208733 0.000000 -0.000000\n-1.604367 4.986544 -0.000000\n-0.000000 0.000000 10.402395\nSn O\n4 8\ndirect\n0.863000 0.726004 0.081646 Sn\n0.136998 0.273995 0.918354 Sn\n0.863000 0.726004 0.418354 Sn\n0.136998 0.273995 0.581645 Sn\n0.232745 0.465490 0.397138 O\n0.767253 0.534510 0.602862 O\n0.767253 0.534510 0.897137 O\n0.232745 0.465490 0.102862 O\n0.953664 0.907332 0.250000 O\n0.046334 0.092668 0.750000 O\n0.500000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
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{
"id": "jvasp-99237",
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"updated_at": "2022-09-04T14:35:42.745032Z",
"structure_string": "Ca2 Al4 Si4 H8 O20\n1.0\n2.930471 4.442067 0.000000\n-2.930471 4.442067 0.000000\n0.000000 0.000000 13.231289\nCa Al Si H O\n2 4 4 8 20\ndirect\n0.335752 0.335752 0.250000 Ca\n0.664249 0.664249 0.750000 Ca\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.983050 0.983050 0.367198 Si\n0.016951 0.016951 0.632802 Si\n0.983050 0.983050 0.132802 Si\n0.016951 0.016951 0.867198 Si\n0.466739 0.466739 0.934650 H\n0.533262 0.533262 0.065350 H\n0.466739 0.466739 0.565350 H\n0.533262 0.533262 0.434650 H\n0.335849 0.335849 0.812847 H\n0.664152 0.664152 0.187154 H\n0.335849 0.335849 0.687154 H\n0.664152 0.664152 0.312847 H\n0.358047 0.358047 0.947399 O\n0.641954 0.641954 0.052601 O\n0.358047 0.358047 0.552601 O\n0.641954 0.641954 0.447399 O\n0.860155 0.860155 0.935746 O\n0.139845 0.139845 0.064254 O\n0.860155 0.860155 0.564254 O\n0.139845 0.139845 0.435746 O\n0.651583 0.112255 0.115728 O\n0.052212 0.052212 0.250000 O\n0.651583 0.112255 0.384272 O\n0.887746 0.348418 0.615728 O\n0.348418 0.887746 0.884272 O\n0.112255 0.651583 0.115728 O\n0.348418 0.887746 0.615728 O\n0.112255 0.651583 0.384272 O\n0.947788 0.947788 0.750000 O\n0.604165 0.604165 0.250000 O\n0.887746 0.348418 0.884272 O\n0.395836 0.395836 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:38:14.112203Z",
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"structure_string": "Ca2 Sn4 O8\n1.0\n3.309604 0.000000 0.000000\n-1.654802 5.483317 0.000000\n0.000000 -0.000000 10.944969\nCa Sn O\n2 4 8\ndirect\n0.387227 0.774455 0.750000 Ca\n0.612772 0.225546 0.250000 Ca\n0.868819 0.737639 0.073792 Sn\n0.131181 0.262362 0.926208 Sn\n0.868819 0.737639 0.426208 Sn\n0.131181 0.262362 0.573792 Sn\n0.227630 0.455260 0.386672 O\n0.772370 0.544741 0.613328 O\n0.772370 0.544741 0.886672 O\n0.227630 0.455260 0.113328 O\n0.961125 0.922251 0.250000 O\n0.038875 0.077749 0.750000 O\n0.499999 0.000000 0.000000 O\n0.499999 0.000000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:38:13.567008Z",
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"structure_string": "Mg2 Sb4 O8\n1.0\n3.162542 -0.000000 -0.000000\n-1.581272 5.618583 0.000000\n0.000000 0.000000 10.666518\nMg Sb O\n2 4 8\ndirect\n0.388074 0.776149 0.750000 Mg\n0.611925 0.223851 0.250000 Mg\n0.868415 0.736831 0.078681 Sb\n0.131585 0.263169 0.921320 Sb\n0.868415 0.736831 0.421320 Sb\n0.131585 0.263169 0.578681 Sb\n0.209942 0.419884 0.380473 O\n0.790058 0.580116 0.619528 O\n0.790058 0.580116 0.880473 O\n0.209942 0.419884 0.119527 O\n0.991101 0.982202 0.250000 O\n0.008899 0.017797 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:35:46.887205Z",
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"structure_string": "Rb4 V2 Ag2 S8\n1.0\n5.627716 -0.000000 1.412755\n2.813858 6.658142 0.706378\n0.014091 -0.000000 11.859265\nRb V Ag S\n4 2 2 8\ndirect\n0.444134 0.750000 0.111734 Rb\n0.194133 0.250000 0.611734 Rb\n0.805868 0.750000 0.388265 Rb\n0.555868 0.250000 0.888265 Rb\n0.625001 0.750000 0.750000 V\n0.375000 0.250000 0.250000 V\n0.125000 0.750000 0.750000 Ag\n0.875001 0.250000 0.250000 Ag\n0.871765 0.553365 0.862299 S\n0.265937 0.946634 0.862299 S\n0.574872 0.553365 0.637700 S\n0.787429 0.946634 0.637700 S\n0.425130 0.446635 0.362299 S\n0.212572 0.053365 0.362299 S\n0.734064 0.053365 0.137700 S\n0.128237 0.446635 0.137701 S\n",
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{
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"created_at": "2022-09-04T14:35:50.644003Z",
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"structure_string": "Sr4 B8 O16\n1.0\n4.374604 -0.000000 0.000000\n0.000000 6.522676 0.000000\n0.000000 0.000000 12.121713\nSr B O\n4 8 16\ndirect\n0.738334 0.250000 0.500000 Sr\n0.261665 0.750001 0.500000 Sr\n0.238334 0.250000 0.000000 Sr\n0.761665 0.750001 0.000000 Sr\n0.330776 0.872198 0.805643 B\n0.330776 0.627803 0.194356 B\n0.669223 0.372198 0.805643 B\n0.169224 0.127802 0.305644 B\n0.669223 0.127802 0.194356 B\n0.830776 0.872198 0.694356 B\n0.830776 0.627803 0.305644 B\n0.169224 0.372198 0.694356 B\n0.236689 0.903489 0.908858 O\n0.763310 0.403488 0.908858 O\n0.263310 0.403488 0.591141 O\n0.263310 0.096512 0.408859 O\n0.350554 0.351817 0.788572 O\n0.350554 0.148183 0.211427 O\n0.149446 0.851817 0.711427 O\n0.649445 0.648184 0.211427 O\n0.649445 0.851817 0.788572 O\n0.850553 0.351817 0.711427 O\n0.736689 0.596512 0.408859 O\n0.763310 0.096512 0.091141 O\n0.736689 0.903489 0.591141 O\n0.236689 0.596512 0.091141 O\n0.149446 0.648184 0.288572 O\n0.850553 0.148183 0.288572 O\n",
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"created_at": "2022-09-04T14:35:56.105717Z",
"updated_at": "2022-09-04T14:35:56.105738Z",
"structure_string": "Th2 Ge2 O8\n1.0\n4.811492 0.000000 -1.957588\n-0.796459 4.745114 -1.957588\n-0.013828 -0.016342 6.857811\nTh Ge O\n2 2 8\ndirect\n0.375000 0.125000 0.750000 Th\n0.624999 0.874999 0.249999 Th\n0.874999 0.625000 0.749999 Ge\n0.125000 0.375000 0.250000 Ge\n0.945779 0.289702 0.591089 O\n0.301386 0.445780 0.091090 O\n0.789702 0.145310 0.091090 O\n0.645309 0.801386 0.591089 O\n0.354690 0.198613 0.408910 O\n0.210297 0.854690 0.908909 O\n0.698613 0.554220 0.908909 O\n0.054219 0.710297 0.408910 O\n",
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"structure_string": "Co2 Sb4\n1.0\n3.446999 0.000000 0.000000\n0.000000 5.593307 -0.000000\n0.000000 0.000000 6.435574\nCo Sb\n2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.202571 0.356784 Sb\n0.000000 0.797429 0.643216 Sb\n0.500000 0.702572 0.143216 Sb\n0.500000 0.297429 0.856783 Sb\n",
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{
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"created_at": "2022-09-04T14:37:31.760852Z",
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"structure_string": "Mg2 Bi4 O8\n1.0\n3.273217 0.000000 -0.000000\n-1.636608 5.650491 0.000000\n0.000000 0.000000 11.107999\nMg Bi O\n2 4 8\ndirect\n0.388462 0.776923 0.750000 Mg\n0.611539 0.223077 0.250000 Mg\n0.867918 0.735836 0.080332 Bi\n0.132082 0.264164 0.919668 Bi\n0.867918 0.735836 0.419668 Bi\n0.132082 0.264164 0.580332 Bi\n0.215776 0.431552 0.375484 O\n0.784224 0.568448 0.624516 O\n0.784224 0.568448 0.875484 O\n0.215776 0.431552 0.124516 O\n0.994038 0.988075 0.250000 O\n0.005962 0.011925 0.750000 O\n0.500000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
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}