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{
"id": "jvasp-88400",
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"structure_string": "K2 Ge4 P6 O24\n1.0\n7.184576 0.015976 5.262822\n2.677393 6.667080 5.262822\n0.023575 0.015975 8.905889\nK Ge P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.347192 0.347192 0.347192 Ge\n0.652807 0.652808 0.652808 Ge\n0.146740 0.146740 0.146740 Ge\n0.853260 0.853260 0.853260 Ge\n0.535072 0.965257 0.251955 P\n0.251954 0.535072 0.965258 P\n0.965257 0.251955 0.535072 P\n0.748045 0.464928 0.034742 P\n0.034742 0.748045 0.464928 P\n0.464927 0.034743 0.748045 P\n0.791491 0.475664 0.832921 O\n0.524336 0.167079 0.208509 O\n0.167078 0.208509 0.524336 O\n0.208509 0.524336 0.167079 O\n0.475664 0.832921 0.791491 O\n0.832921 0.791491 0.475664 O\n0.481846 0.182031 0.529681 O\n0.630112 0.015672 0.776998 O\n0.182031 0.529680 0.481847 O\n0.529680 0.481847 0.182031 O\n0.518153 0.817969 0.470319 O\n0.817969 0.470320 0.518153 O\n0.470319 0.518153 0.817969 O\n0.874737 0.104339 0.739191 O\n0.776998 0.630113 0.015672 O\n0.104339 0.739191 0.874738 O\n0.125262 0.895661 0.260809 O\n0.895661 0.260809 0.125262 O\n0.260808 0.125262 0.895661 O\n0.369887 0.984328 0.223002 O\n0.223002 0.369887 0.984328 O\n0.984328 0.223003 0.369887 O\n0.739191 0.874737 0.104339 O\n0.015672 0.776997 0.630113 O\n",
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{
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"structure_string": "Sr8 B8 O20\n1.0\n0.000000 7.767284 0.085702\n5.372750 0.000000 0.000000\n0.000000 -0.555701 -11.896733\nSr B O\n8 8 20\ndirect\n0.118593 0.953859 0.868033 Sr\n0.881407 0.453859 0.631967 Sr\n0.881407 0.046141 0.131967 Sr\n0.118593 0.546141 0.368033 Sr\n0.624100 0.910864 0.839622 Sr\n0.375900 0.410864 0.660378 Sr\n0.375900 0.089136 0.160378 Sr\n0.624100 0.589136 0.339622 Sr\n0.659330 0.930555 0.594605 B\n0.340669 0.430555 0.905395 B\n0.340669 0.069445 0.405395 B\n0.659330 0.569445 0.094605 B\n0.159575 0.546060 0.084140 B\n0.159575 0.953940 0.584140 B\n0.840424 0.453940 0.915860 B\n0.840424 0.046060 0.415860 B\n0.097574 0.095430 0.668374 O\n0.252202 0.397471 0.006186 O\n0.747798 0.897471 0.493814 O\n0.854397 0.202046 0.927587 O\n0.145603 0.702046 0.572413 O\n0.145603 0.797954 0.072413 O\n0.854397 0.297954 0.427587 O\n0.902425 0.595430 0.831626 O\n0.097574 0.404570 0.168374 O\n0.643219 0.347006 0.146946 O\n0.605488 0.713055 0.640763 O\n0.394512 0.213055 0.859237 O\n0.394512 0.286945 0.359237 O\n0.605488 0.786945 0.140763 O\n0.356781 0.652994 0.853054 O\n0.643219 0.152994 0.646946 O\n0.252202 0.102529 0.506186 O\n0.356781 0.847006 0.353054 O\n0.902425 0.904570 0.331626 O\n0.747798 0.602529 0.993814 O\n",
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{
"id": "jvasp-22925",
"created_at": "2022-09-04T14:37:31.135722Z",
"updated_at": "2022-09-04T14:37:31.135746Z",
"structure_string": "Sr12 Ge8 As16\n1.0\n0.000000 7.542836 -0.010314\n18.654421 0.000000 0.000000\n0.000000 -2.856509 -7.100391\nSr Ge As\n12 8 16\ndirect\n0.012316 0.315441 0.217667 Sr\n0.487684 0.815441 0.782332 Sr\n0.987684 0.684559 0.782332 Sr\n0.512316 0.184559 0.217667 Sr\n0.997241 0.439804 0.739138 Sr\n0.502759 0.939804 0.260861 Sr\n0.002759 0.560196 0.260861 Sr\n0.497241 0.060196 0.739139 Sr\n0.511678 0.437866 0.255727 Sr\n0.988322 0.937866 0.744272 Sr\n0.488322 0.562134 0.744272 Sr\n0.011678 0.062134 0.255728 Sr\n0.584482 0.259991 0.685105 Ge\n0.915519 0.759991 0.314894 Ge\n0.084481 0.240009 0.685106 Ge\n0.415519 0.740009 0.314894 Ge\n0.971394 0.127650 0.788390 Ge\n0.028606 0.872350 0.211609 Ge\n0.471394 0.372350 0.788391 Ge\n0.528606 0.627650 0.211609 Ge\n0.224662 0.697203 0.505060 As\n0.275338 0.197203 0.494940 As\n0.243130 0.932892 0.498869 As\n0.256870 0.432892 0.501130 As\n0.743130 0.567108 0.498869 As\n0.756870 0.067108 0.501130 As\n0.749204 0.440177 0.993682 As\n0.250796 0.559823 0.006317 As\n0.249204 0.059823 0.993682 As\n0.279536 0.314252 0.962910 As\n0.220464 0.814252 0.037090 As\n0.720464 0.685748 0.037090 As\n0.779537 0.185748 0.962909 As\n0.724662 0.802797 0.505059 As\n0.750797 0.940177 0.006317 As\n0.775338 0.302797 0.494940 As\n",
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"formula_full": "Sr12 Ge8 As16",
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{
"id": "jvasp-97783",
"created_at": "2022-09-04T14:35:54.991759Z",
"updated_at": "2022-09-04T14:35:54.991787Z",
"structure_string": "Ca1 Ti4 P6 O24\n1.0\n7.387601 0.008385 4.844436\n2.620675 6.907155 4.844436\n0.012135 0.008385 8.834312\nCa Ti P O\n1 4 6 24\ndirect\n0.000000 0.000000 0.000000 Ca\n0.357872 0.357872 0.357873 Ti\n0.147270 0.147270 0.147271 Ti\n0.852729 0.852729 0.852731 Ti\n0.642127 0.642127 0.642129 Ti\n0.539593 0.970551 0.246789 P\n0.246786 0.539594 0.970553 P\n0.970552 0.246787 0.539595 P\n0.460406 0.029448 0.753213 P\n0.029447 0.753212 0.460407 P\n0.753212 0.460405 0.029449 P\n0.838153 0.769209 0.479141 O\n0.256566 0.103146 0.898233 O\n0.520860 0.161846 0.230791 O\n0.161845 0.230790 0.520861 O\n0.230790 0.520860 0.161847 O\n0.479139 0.838154 0.769211 O\n0.548683 0.479493 0.183819 O\n0.808291 0.617094 0.997379 O\n0.479493 0.183818 0.548684 O\n0.183818 0.548683 0.479494 O\n0.451316 0.520507 0.816183 O\n0.520506 0.816181 0.451318 O\n0.816181 0.451316 0.520508 O\n0.896854 0.101767 0.743434 O\n0.997377 0.808291 0.617096 O\n0.101766 0.743433 0.896855 O\n0.103145 0.898232 0.256568 O\n0.898232 0.256566 0.103146 O\n0.382906 0.002622 0.191708 O\n0.191708 0.382906 0.002623 O\n0.002622 0.191708 0.382906 O\n0.617093 0.997377 0.808294 O\n0.743433 0.896854 0.101769 O\n0.769209 0.479139 0.838155 O\n",
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],
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"formula_full": "Ca1 Ti4 P6 O24",
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{
"id": "jvasp-103877",
"created_at": "2022-09-04T14:36:52.316596Z",
"updated_at": "2022-09-04T14:36:52.316613Z",
"structure_string": "Sn1 H18 C10 O6\n1.0\n4.764775 -0.035648 0.676569\n-0.118911 6.205529 1.933976\n-0.069304 0.278991 10.276587\nSn H C O\n1 18 10 6\ndirect\n0.552879 0.590947 0.102814 Sn\n0.966829 0.645879 0.537914 H\n0.693821 0.606186 0.862320 H\n0.003065 0.723732 0.684844 H\n0.275542 0.063707 0.517029 H\n0.910375 0.058651 0.510000 H\n0.966255 0.990725 0.294201 H\n0.304534 0.876170 0.317516 H\n0.419390 0.078547 0.738001 H\n0.829369 0.554113 0.290905 H\n0.289095 0.376826 0.518794 H\n0.636578 0.377427 0.553271 H\n0.528161 0.739959 0.484559 H\n0.489331 0.675758 0.666724 H\n0.085747 0.235370 0.998078 H\n0.754388 0.119799 0.992646 H\n0.935277 0.378741 0.766408 H\n0.918515 0.116954 0.751793 H\n0.459323 0.287723 0.809433 H\n0.979904 0.127709 0.955976 C\n0.031626 0.219303 0.795557 C\n0.397692 0.646769 0.581461 C\n0.419053 0.405565 0.592090 C\n0.344054 0.240246 0.737833 C\n0.107897 0.979623 0.489277 C\n0.101036 0.739235 0.578698 C\n0.308275 0.216914 0.250071 C\n0.092888 0.903555 0.004848 C\n0.165055 0.003583 0.332959 C\n0.171614 0.396498 0.218963 O\n0.528563 0.533833 0.925801 O\n0.673602 0.651654 0.264772 O\n0.965099 0.741851 0.992333 O\n0.330792 0.884351 0.052256 O\n0.572484 0.229945 0.209211 O\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:35:51.074235Z",
"updated_at": "2022-09-04T14:35:51.074257Z",
"structure_string": "Ba14 Na14 Ca1 N6\n1.0\n10.763340 -0.000000 6.214217\n3.587780 10.147774 6.214217\n0.000000 0.000000 12.428434\nBa Na Ca N\n14 14 1 6\ndirect\n0.290573 0.709427 0.709428 Ba\n0.709428 0.709427 0.290573 Ba\n0.290573 0.709427 0.290573 Ba\n0.709428 0.290572 0.709428 Ba\n0.709428 0.290572 0.290573 Ba\n0.108385 0.108385 0.108385 Ba\n0.891615 0.891615 0.325155 Ba\n0.325155 0.891615 0.891615 Ba\n0.891615 0.325155 0.891615 Ba\n0.674845 0.108385 0.108385 Ba\n0.108385 0.674845 0.108385 Ba\n0.108385 0.108385 0.674845 Ba\n0.891615 0.891615 0.891615 Ba\n0.290573 0.290572 0.709427 Ba\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.670205 0.670204 0.670205 Na\n0.329795 0.329795 0.010614 Na\n0.500000 0.000000 0.000000 Na\n0.010614 0.329795 0.329795 Na\n0.670205 0.989386 0.670205 Na\n0.329795 0.010614 0.329795 Na\n0.670205 0.670204 0.989386 Na\n0.329795 0.329795 0.329795 Na\n0.000000 0.000000 0.500000 Na\n0.989386 0.670204 0.670205 Na\n0.000000 0.000000 0.000000 Ca\n0.146036 0.853964 0.853964 N\n0.146036 0.146036 0.853964 N\n0.853964 0.853964 0.146036 N\n0.146036 0.853964 0.146036 N\n0.853964 0.146036 0.853964 N\n0.853964 0.146036 0.146036 N\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:36:40.909110Z",
"updated_at": "2022-09-04T14:36:40.909130Z",
"structure_string": "Al1 H18 C10 Cl1 O5\n1.0\n5.260287 0.030841 0.083650\n-0.851831 6.693770 -1.910712\n0.189562 -0.137384 9.119222\nAl H C Cl O\n1 18 10 1 5\ndirect\n0.537848 0.627014 0.924673 Al\n0.023419 0.865153 0.466068 H\n0.825902 0.732767 0.308070 H\n0.269871 0.465644 0.712634 H\n0.439759 0.869191 0.454111 H\n0.671105 0.054692 0.420545 H\n0.854806 0.086944 0.693534 H\n0.560457 0.948292 0.721288 H\n0.674988 0.244210 0.267163 H\n0.129091 0.668056 0.826932 H\n0.147638 0.509230 0.434033 H\n0.938195 0.340341 0.504577 H\n0.807799 0.666521 0.626976 H\n0.572783 0.549498 0.485417 H\n0.957490 0.226052 0.973114 H\n0.197301 0.058032 0.954312 H\n0.255989 0.255091 0.206980 H\n0.052995 0.050247 0.236412 H\n0.856402 0.430042 0.200419 H\n0.018323 0.103767 0.012113 C\n0.059632 0.178744 0.188621 C\n0.776788 0.611574 0.501919 C\n0.945370 0.443408 0.432701 C\n0.869455 0.324571 0.268338 C\n0.635593 0.942729 0.484426 C\n0.828279 0.788822 0.434000 C\n0.524382 0.237630 0.708718 C\n0.817130 0.930477 0.973788 C\n0.653039 0.049033 0.656655 C\n0.370568 0.601668 0.135616 Cl\n0.324986 0.256033 0.644268 O\n0.878499 0.745782 0.920899 O\n0.578869 0.937687 -0.006485 O\n0.631821 0.378797 0.823940 O\n0.294787 0.616628 0.782592 O\n",
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{
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"created_at": "2022-09-04T14:35:48.278937Z",
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"structure_string": "Ti4 Mn1 P6 O24\n1.0\n7.432775 -0.038996 4.284187\n2.457151 7.014989 4.284189\n-0.055287 -0.038999 8.578890\nTi Mn P O\n4 1 6 24\ndirect\n0.867484 0.867484 0.867484 Ti\n0.354018 0.354017 0.354018 Ti\n0.132516 0.132516 0.132516 Ti\n0.645983 0.645982 0.645983 Ti\n0.500000 0.500000 0.500000 Mn\n0.956036 0.253119 0.530746 P\n0.043964 0.746880 0.469254 P\n0.469254 0.043964 0.746880 P\n0.530746 0.956035 0.253120 P\n0.253119 0.530746 0.956036 P\n0.746881 0.469254 0.043965 P\n0.444333 0.237635 0.582586 O\n0.117192 0.317464 0.488953 O\n0.417414 0.555666 0.762365 O\n0.555667 0.762365 0.417414 O\n0.762365 0.417413 0.555667 O\n0.582586 0.444333 0.237635 O\n0.912472 0.281220 0.053829 O\n0.634960 0.006021 0.796486 O\n0.281220 0.053828 0.912472 O\n0.053828 0.912472 0.281220 O\n0.087528 0.718780 0.946172 O\n0.718780 0.946171 0.087529 O\n0.946172 0.087528 0.718780 O\n0.682536 0.511047 0.882808 O\n0.796486 0.634959 0.006022 O\n0.511047 0.882808 0.682536 O\n0.317464 0.488953 0.117192 O\n0.488953 0.117192 0.317464 O\n0.993979 0.203514 0.365041 O\n0.365041 0.993978 0.203515 O\n0.203514 0.365040 0.993979 O\n0.006021 0.796485 0.634960 O\n0.882808 0.682535 0.511047 O\n0.237635 0.582586 0.444334 O\n",
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{
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