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{
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"structure_string": "Th4 I16\n1.0\n7.676716 0.000000 -1.181025\n0.000000 8.109131 0.000000\n0.008588 0.000000 13.348565\nTh I\n4 16\ndirect\n0.823794 0.983444 0.816999 Th\n0.176207 0.016556 0.183001 Th\n0.323793 0.516556 0.316999 Th\n0.676207 0.483444 0.683001 Th\n0.170597 0.193166 0.401743 I\n0.329403 0.693166 0.098257 I\n0.829404 0.806834 0.598257 I\n0.670598 0.306834 0.901743 I\n-0.000870 0.754168 0.318766 I\n0.500871 0.254168 0.181234 I\n0.499750 0.866578 0.350280 I\n0.691758 0.408222 0.441896 I\n0.808243 0.908222 0.058105 I\n0.308243 0.591778 0.558104 I\n0.191758 0.091778 0.941895 I\n-0.000251 0.633422 0.850279 I\n0.500251 0.133422 0.649720 I\n0.000251 0.366578 0.149720 I\n0.499130 0.745832 0.818766 I\n0.000871 0.245832 0.681234 I\n",
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{
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"structure_string": "Mg2 H4 C6 O8\n1.0\n4.430871 0.003373 -1.560805\n-0.597716 5.623625 -1.682741\n-0.032265 -0.019033 6.977235\nMg H C O\n2 4 6 8\ndirect\n0.522574 0.482781 0.185362 Mg\n0.030327 0.982790 0.185360 Mg\n0.847332 0.511885 0.715282 H\n0.937631 0.812336 0.694732 H\n0.124640 0.312323 0.694720 H\n0.235547 0.011894 0.715283 H\n0.171621 0.826060 0.698703 C\n0.894630 0.326050 0.698702 C\n0.400785 0.789520 0.896471 C\n0.183348 0.699819 0.479697 C\n0.663879 0.199817 0.479698 C\n0.863226 0.289518 0.896478 C\n0.406677 0.110598 0.454532 O\n0.743969 0.213605 0.321745 O\n0.415356 0.610591 0.454527 O\n0.610955 0.319531 0.920292 O\n0.676872 0.819533 0.920272 O\n0.097308 0.243844 0.038475 O\n0.308700 0.743837 0.038478 O\n0.945315 0.713605 0.321745 O\n",
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{
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"created_at": "2022-09-04T14:37:08.153327Z",
"updated_at": "2022-09-04T14:37:08.153336Z",
"structure_string": "Y4 V4 O12\n1.0\n5.268068 0.000000 0.000000\n-0.000000 5.638893 0.000000\n0.000000 0.000000 7.608449\nY V O\n4 4 12\ndirect\n0.019615 0.929490 0.750000 Y\n0.519616 0.570509 0.250000 Y\n0.480385 0.429490 0.750000 Y\n0.980385 0.070510 0.250000 Y\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.612085 0.040634 0.750000 O\n0.112085 0.459366 0.250000 O\n0.690686 0.303600 0.056270 O\n0.190686 0.196400 0.943730 O\n0.809315 0.803600 0.443730 O\n0.190686 0.196400 0.556270 O\n0.309314 0.696400 0.943730 O\n0.809315 0.803600 0.056270 O\n0.387916 0.959366 0.250000 O\n0.690686 0.303600 0.443730 O\n0.309314 0.696400 0.556270 O\n0.887916 0.540633 0.750000 O\n",
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{
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"structure_string": "Mn2 Nb6 S12\n1.0\n2.921146 -5.059573 0.000000\n2.921146 5.059573 -0.000000\n-0.000000 0.000000 12.297703\nMn Nb S\n2 6 12\ndirect\n0.666668 0.333334 0.250000 Mn\n0.333334 0.666668 0.750000 Mn\n0.333334 0.666668 0.498786 Nb\n0.666668 0.333334 0.998786 Nb\n0.666668 0.333334 0.501214 Nb\n0.333334 0.666668 0.001214 Nb\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.330040 0.997367 0.128415 S\n0.332674 0.330040 0.628415 S\n0.669961 0.002635 0.628415 S\n0.330040 0.332674 0.371585 S\n0.667328 0.997367 0.371585 S\n0.669962 0.667328 0.871585 S\n0.002635 0.669961 0.371585 S\n0.997367 0.330040 0.871585 S\n0.002634 0.332673 0.128415 S\n0.332673 0.002634 0.871585 S\n0.667328 0.669962 0.128415 S\n0.997367 0.667328 0.628415 S\n",
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{
"id": "jvasp-50429",
"created_at": "2022-09-04T14:36:51.567389Z",
"updated_at": "2022-09-04T14:36:51.567417Z",
"structure_string": "Tb4 Ga4 O12\n1.0\n5.305843 0.000000 0.000000\n0.000000 5.600588 0.000000\n0.000000 0.000000 7.620040\nTb Ga O\n4 4 12\ndirect\n0.018485 0.067896 0.990926 Tb\n0.481515 0.567896 0.990926 Tb\n0.518484 0.432105 0.490926 Tb\n0.981515 0.932105 0.490926 Tb\n-0.000002 0.500000 0.240925 Ga\n0.500001 -0.000000 0.240925 Ga\n0.499998 0.000000 0.740925 Ga\n0.000002 0.500000 0.740925 Ga\n0.805232 0.196669 0.295501 O\n0.694768 0.696669 0.295501 O\n0.694766 0.696670 0.686351 O\n0.606680 0.965389 0.990927 O\n0.393319 0.034611 0.490927 O\n0.194767 0.803331 0.186351 O\n0.305232 0.303331 0.795501 O\n0.194768 0.803331 0.795501 O\n0.805233 0.196669 0.686351 O\n0.106680 0.534612 0.490927 O\n0.305233 0.303331 0.186351 O\n0.893319 0.465389 0.990927 O\n",
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{
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"created_at": "2022-09-04T14:36:50.503314Z",
"updated_at": "2022-09-04T14:36:50.503341Z",
"structure_string": "Hf4 Sn4 S12\n1.0\n3.718905 -0.000000 0.000000\n-0.000000 9.248739 0.000000\n0.000000 0.000000 13.891704\nHf Sn S\n4 4 12\ndirect\n0.749999 0.837782 0.048887 Hf\n0.250000 0.162219 0.951112 Hf\n0.749999 0.337782 0.451112 Hf\n0.250000 0.662219 0.548887 Hf\n0.749999 0.461113 0.828268 Sn\n0.250000 0.538887 0.171732 Sn\n0.749999 0.961113 0.671732 Sn\n0.250000 0.038887 0.328268 Sn\n0.250000 0.269307 0.784441 S\n0.749999 0.730693 0.215559 S\n0.749999 0.827595 0.491622 S\n0.250000 0.172405 0.508378 S\n0.749999 0.327595 0.008378 S\n0.749999 0.487990 0.606450 S\n0.749999 0.987990 0.893549 S\n0.250000 0.012011 0.106450 S\n0.749999 0.230693 0.284441 S\n0.250000 0.512011 0.393550 S\n0.250000 0.672405 0.991622 S\n0.250000 0.769307 0.715559 S\n",
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{
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"created_at": "2022-09-04T14:36:49.912203Z",
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"structure_string": "Sr4 Hf4 O12\n1.0\n5.796521 -0.035723 0.000000\n-0.035723 5.796521 -0.000000\n-0.000000 0.000000 8.197105\nSr Hf O\n4 4 12\ndirect\n0.506685 0.493315 0.250000 Sr\n0.493315 0.506685 0.750000 Sr\n0.009773 0.990227 0.250000 Sr\n0.990227 0.009773 0.750000 Sr\n0.000000 0.500000 0.500000 Hf\n0.500000 0.000000 0.500000 Hf\n0.500000 0.000000 0.000000 Hf\n0.000000 0.500000 0.000000 Hf\n0.284316 0.284316 0.500000 O\n0.715684 0.715684 0.000000 O\n0.958751 0.451292 0.750000 O\n0.218099 0.781901 0.956186 O\n0.781901 0.218099 0.456186 O\n0.781901 0.218099 0.043815 O\n0.218099 0.781901 0.543815 O\n0.548709 0.041250 0.750000 O\n0.451292 0.958751 0.250000 O\n0.041250 0.548709 0.250000 O\n0.284316 0.284316 0.000000 O\n0.715684 0.715684 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:36:58.177233Z",
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"structure_string": "Sn4 Ge4 S12\n1.0\n0.000000 6.930911 -0.084400\n10.205039 0.000000 0.000000\n0.000000 -2.004348 -7.034067\nSn Ge S\n4 4 12\ndirect\n0.727752 0.417131 0.873392 Sn\n0.772248 0.917131 0.126609 Sn\n0.272248 0.582869 0.126609 Sn\n0.227752 0.082869 0.873392 Sn\n0.001809 0.707413 0.679001 Ge\n0.501808 0.792587 0.679001 Ge\n0.998191 0.292587 0.320999 Ge\n0.498191 0.207413 0.320999 Ge\n0.421731 0.322671 0.053714 S\n0.078269 0.822671 0.946287 S\n0.587109 0.996899 0.775086 S\n0.912891 0.496899 0.224914 S\n0.412891 0.003101 0.224914 S\n0.183679 0.787606 0.485602 S\n0.816321 0.212394 0.514399 S\n0.316321 0.287606 0.514399 S\n0.578269 0.677329 0.946287 S\n0.921731 0.177329 0.053714 S\n0.087109 0.503101 0.775086 S\n0.683679 0.712394 0.485602 S\n",
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{
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"updated_at": "2022-09-04T14:36:50.184855Z",
"structure_string": "Tm4 Al4 O12\n1.0\n5.134160 -0.000000 0.000000\n0.000000 5.360715 0.000000\n0.000000 0.000000 7.356357\nTm Al O\n4 4 12\ndirect\n0.015585 0.937886 0.750000 Tm\n0.484415 0.437886 0.750000 Tm\n0.515585 0.562115 0.250000 Tm\n0.984415 0.062115 0.250000 Tm\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.800342 0.798759 0.050092 O\n0.699658 0.298759 0.449908 O\n0.699658 0.298759 0.050092 O\n0.596283 0.028720 0.750000 O\n0.403717 0.971281 0.250000 O\n0.199658 0.201242 0.550092 O\n0.300342 0.701242 0.949909 O\n0.199658 0.201242 0.949909 O\n0.800342 0.798759 0.449908 O\n0.096283 0.471280 0.250000 O\n0.300342 0.701242 0.550092 O\n0.903717 0.528721 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:36:51.518363Z",
"updated_at": "2022-09-04T14:36:51.518390Z",
"structure_string": "Ca4 Fe2 Ir2 O12\n1.0\n0.000000 5.304436 0.000064\n5.498936 0.000000 0.000000\n0.000000 -5.299505 -7.577540\nCa Fe Ir O\n4 2 2 12\ndirect\n0.265262 0.060105 0.249626 Ca\n0.734740 0.560105 0.250375 Ca\n0.265262 0.439896 0.749626 Ca\n0.734740 0.939896 0.750375 Ca\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500001 0.500000 0.500000 Ir\n0.500001 0.000000 0.000000 Ir\n0.760447 0.208069 0.950982 O\n0.654943 0.694763 0.952775 O\n0.239556 0.708069 0.549018 O\n0.851789 0.975822 0.256917 O\n0.148214 0.024179 0.743084 O\n0.239555 0.791932 0.049018 O\n0.345060 0.305238 0.047226 O\n0.654942 0.805238 0.452775 O\n0.345060 0.194763 0.547226 O\n0.851789 0.524179 0.756917 O\n0.760446 0.291931 0.450982 O\n0.148213 0.475822 0.243084 O\n",
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{
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"updated_at": "2022-09-04T14:36:51.511054Z",
"structure_string": "Er6 Ga2 S12\n1.0\n6.403530 0.000000 0.000000\n0.000000 8.221038 -1.871063\n0.000000 0.086312 8.430830\nEr Ga S\n6 2 12\ndirect\n0.745579 0.283523 0.085732 Er\n0.745579 0.914269 0.716477 Er\n0.245579 0.085731 0.283523 Er\n0.837628 0.402812 0.597188 Er\n0.337628 0.597188 0.402812 Er\n0.245579 0.716477 0.914269 Er\n0.212280 0.201874 0.798126 Ga\n0.712280 0.798126 0.201874 Ga\n0.028140 0.100956 0.564701 S\n0.528140 0.899044 0.435300 S\n0.063085 0.039354 0.960645 S\n0.543043 0.630571 0.694946 S\n0.043043 0.369429 0.305055 S\n0.543043 0.305054 0.369429 S\n0.043043 0.694946 0.630571 S\n0.566083 0.218719 0.781281 S\n0.066083 0.781281 0.218720 S\n0.563085 0.960645 0.039355 S\n0.528140 0.564701 0.100956 S\n0.028140 0.435299 0.899044 S\n",
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]
}