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{
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"structure_string": "Mg2 H4 C6 O8\n1.0\n4.479431 0.005390 -1.469866\n-0.898322 5.739765 -1.211303\n-0.073454 -0.226381 6.948934\nMg H C O\n2 4 6 8\ndirect\n0.539692 0.493803 0.180762 Mg\n0.039691 -0.006199 0.180760 Mg\n0.451501 0.183643 0.673687 H\n0.951501 0.683650 0.673689 H\n0.625599 0.459766 0.701974 H\n0.125606 0.959770 0.701976 H\n0.167782 0.777214 0.685223 C\n0.667781 0.277211 0.685221 C\n0.412525 0.784411 0.890462 C\n0.209176 0.707957 0.473518 C\n0.709176 0.207956 0.473515 C\n0.912523 0.284410 0.890461 C\n0.470815 0.208733 0.314174 O\n0.956364 0.168527 0.452124 O\n0.456367 0.668532 0.452127 O\n0.827787 0.274887 0.047460 O\n0.689960 0.804500 0.908964 O\n0.189963 0.304508 0.908963 O\n0.327788 0.774893 0.047464 O\n0.970817 0.708729 0.314175 O\n",
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{
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"structure_string": "Li6 Fe2 Si2 O10\n1.0\n4.980391 -0.003708 0.013668\n1.582554 5.386463 0.006629\n1.493537 1.081960 5.830725\nLi Fe Si O\n6 2 2 10\ndirect\n0.494156 0.249755 0.003142 Li\n0.317352 0.448640 0.397303 Li\n0.307429 0.948401 0.396231 Li\n0.692571 0.051598 0.603771 Li\n0.682647 0.551359 0.602699 Li\n0.505843 0.750244 -0.003142 Li\n0.905742 0.350126 0.204247 Fe\n0.094257 0.649873 0.795754 Fe\n0.101854 0.150497 0.780477 Si\n0.898146 0.849502 0.219525 Si\n0.353041 0.336630 0.718501 O\n0.645675 0.127302 0.284994 O\n0.646958 0.663369 0.281500 O\n0.159062 0.048401 0.096494 O\n0.002764 0.752919 0.485075 O\n0.163955 0.577132 0.104657 O\n0.836044 0.422867 0.895344 O\n-0.002764 0.247080 0.514926 O\n0.840938 0.951598 0.903507 O\n0.354325 0.872697 0.715008 O\n",
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{
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"created_at": "2022-09-04T14:36:59.950781Z",
"updated_at": "2022-09-04T14:36:59.950804Z",
"structure_string": "Ca1 Cu3 Ge4 O12\n1.0\n5.973375 -0.000000 -2.111907\n-2.986687 5.173094 -2.111907\n-0.000000 -0.000000 6.335721\nCa Cu Ge O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Cu\n-0.000000 0.500000 0.499999 Cu\n0.500000 0.500000 -0.000001 Cu\n0.500000 0.000000 -0.000000 Ge\n-0.000000 0.500000 -0.000001 Ge\n0.500000 0.500000 0.499999 Ge\n0.000000 0.000000 0.500000 Ge\n0.300646 0.118014 0.817368 O\n0.881987 0.182632 0.699354 O\n0.817368 0.300646 0.118013 O\n0.516723 0.817367 0.699353 O\n0.699354 0.881986 0.182631 O\n0.118013 0.817367 0.300645 O\n0.483277 0.182632 0.300645 O\n0.300646 0.483276 0.182632 O\n0.817368 0.699354 0.516722 O\n0.182632 0.699354 0.881985 O\n0.182632 0.300646 0.483276 O\n0.699354 0.516723 0.817367 O\n",
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{
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"created_at": "2022-09-04T14:36:59.664545Z",
"updated_at": "2022-09-04T14:36:59.664582Z",
"structure_string": "H8 C12\n1.0\n3.694712 -0.071368 -0.376541\n-1.048974 6.779705 -1.848566\n-0.261401 0.030618 7.089037\nH C\n8 12\ndirect\n0.071935 0.507946 0.634156 H\n0.225833 0.037636 0.165939 H\n0.012413 0.457298 0.312867 H\n0.858514 0.927603 0.781075 H\n0.726747 0.175490 0.029253 H\n0.572895 0.644006 0.499269 H\n0.357596 0.789736 0.917748 H\n0.511443 0.321229 0.447747 H\n0.370721 0.012002 0.299091 C\n0.051960 0.496403 0.782731 C\n0.706909 0.147731 0.637760 C\n0.206951 0.646870 0.138630 C\n0.377434 0.817503 0.309254 C\n0.552517 0.792254 0.487554 C\n0.713622 0.953232 0.647922 C\n0.032371 0.468833 0.164287 C\n0.213126 0.656764 0.943709 C\n0.871214 0.308467 0.003305 C\n0.877390 0.318361 0.808386 C\n0.531819 0.172983 0.459463 C\n",
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{
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"structure_string": "Ti2 Zn4 Ir2 O12\n1.0\n0.000000 5.216214 0.002027\n5.226876 0.000000 0.000000\n0.000000 -5.178035 -7.630239\nTi Zn Ir O\n2 4 2 12\ndirect\n0.000000 0.500000 0.000000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.259828 0.970313 0.251027 Zn\n0.740171 0.470313 0.248973 Zn\n0.259827 0.529688 0.751027 Zn\n0.740170 0.029687 0.748973 Zn\n0.499999 0.500000 0.500000 Ir\n0.499999 0.000000 -0.000000 Ir\n0.105812 0.819479 0.934365 O\n0.262913 0.327309 0.939761 O\n0.894186 0.319479 0.565635 O\n0.634053 0.081497 0.250492 O\n0.365945 0.918504 0.749507 O\n0.894186 0.180521 0.065635 O\n0.737085 0.672692 0.060239 O\n0.262914 0.172691 0.439761 O\n0.737084 0.827310 0.560239 O\n0.634052 0.418504 0.750492 O\n0.105812 0.680522 0.434365 O\n0.365946 0.581497 0.249507 O\n",
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{
"id": "jvasp-21242",
"created_at": "2022-09-04T14:36:55.330639Z",
"updated_at": "2022-09-04T14:36:55.330665Z",
"structure_string": "Zn4 Se4 O12\n1.0\n5.111892 -0.000000 0.000000\n-0.000000 5.941747 0.000000\n0.000000 0.000000 7.729847\nZn Se O\n4 4 12\ndirect\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.015694 0.978169 0.750000 Se\n0.515694 0.521832 0.250000 Se\n0.484306 0.478169 0.750000 Se\n0.984306 0.021832 0.250000 Se\n0.820076 0.423754 0.750000 O\n0.320076 0.076246 0.250000 O\n0.864420 0.185904 0.077494 O\n0.364420 0.314097 0.922506 O\n0.635579 0.685904 0.422506 O\n0.364420 0.314097 0.577494 O\n0.135580 0.814097 0.922506 O\n0.635579 0.685904 0.077494 O\n0.179924 0.576247 0.250000 O\n0.864420 0.185904 0.422506 O\n0.135580 0.814097 0.577494 O\n0.679923 0.923754 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:36:55.344069Z",
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"structure_string": "Ca4 C4 O12\n1.0\n4.995220 -0.000000 0.000000\n0.000000 5.699303 0.000000\n0.000000 0.000000 7.961601\nCa C O\n4 4 12\ndirect\n0.250000 0.760851 0.085218 Ca\n0.750000 0.239149 0.914782 Ca\n0.250000 0.260851 0.414782 Ca\n0.750000 0.739148 0.585218 Ca\n0.250000 0.913374 0.736431 C\n0.750000 0.086625 0.263569 C\n0.250000 0.413375 0.763569 C\n0.750000 0.586625 0.236431 C\n0.025809 0.411711 0.681065 O\n0.525809 0.588289 0.318935 O\n0.250000 0.902028 0.574798 O\n0.750000 0.097971 0.425201 O\n0.250000 0.402029 0.925201 O\n0.974192 0.588289 0.318935 O\n0.525809 0.088289 0.181065 O\n0.025809 0.911710 0.818935 O\n0.974192 0.088289 0.181065 O\n0.474192 0.411711 0.681065 O\n0.750000 0.597971 0.074799 O\n0.474192 0.911710 0.818935 O\n",
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{
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"structure_string": "Sb8 O12\n1.0\n4.946369 0.000000 0.000000\n-0.000000 5.460806 0.000000\n0.000000 0.000000 12.487156\nSb O\n8 12\ndirect\n0.961639 0.177440 0.872767 Sb\n0.461639 0.322560 0.127234 Sb\n0.538361 0.177440 0.627234 Sb\n0.038361 0.322560 0.372766 Sb\n0.038361 0.822560 0.127234 Sb\n0.538361 0.677441 0.872767 Sb\n0.461639 0.822560 0.372766 Sb\n0.961639 0.677441 0.627234 Sb\n0.644561 0.348836 0.942133 O\n0.144561 0.151165 0.057868 O\n0.144561 0.651165 0.442132 O\n0.644561 0.848836 0.557868 O\n0.355439 0.651165 0.057868 O\n0.250000 0.489755 0.250000 O\n0.750000 0.510246 0.750000 O\n0.250000 0.989755 0.250000 O\n0.355439 0.151165 0.442132 O\n0.750000 0.010245 0.750000 O\n0.855439 0.848836 0.942133 O\n0.855439 0.348836 0.557868 O\n",
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{
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"structure_string": "Ca4 Pb4 O12\n1.0\n5.712273 0.000000 0.000000\n0.000000 5.971596 0.000000\n0.000000 0.000000 8.253439\nCa Pb O\n4 4 12\ndirect\n0.980947 0.062135 0.250000 Ca\n0.480947 0.437865 0.750000 Ca\n0.519053 0.562136 0.250000 Ca\n0.019053 0.937865 0.750000 Ca\n0.500000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 Pb\n0.000000 0.500000 0.500000 Pb\n0.500000 0.000000 0.500000 Pb\n0.632004 0.063670 0.750000 O\n0.132004 0.436330 0.250000 O\n0.688965 0.305680 0.069307 O\n0.188965 0.194320 0.930693 O\n0.811034 0.805681 0.430693 O\n0.188965 0.194320 0.569307 O\n0.311034 0.694320 0.930693 O\n0.811034 0.805681 0.069307 O\n0.367995 0.936330 0.250000 O\n0.688965 0.305680 0.430693 O\n0.311034 0.694320 0.569307 O\n0.867995 0.563671 0.750000 O\n",
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"structure_string": "Mo2 H8 O10\n1.0\n4.038469 -0.136300 0.030474\n-1.396882 6.420894 0.078539\n-0.129545 -0.237742 7.498284\nMo H O\n2 8 10\ndirect\n0.921169 0.006835 0.749792 Mo\n0.078832 -0.006835 0.250207 Mo\n0.239511 0.375654 0.153284 H\n0.266431 0.381060 0.646886 H\n0.760490 0.624346 0.846715 H\n0.733571 0.618940 0.353113 H\n0.331427 0.414536 0.404074 H\n0.338749 0.419062 0.903498 H\n0.661252 0.580938 0.096501 H\n0.668574 0.585464 0.595925 H\n0.123858 0.295490 0.260268 O\n0.000000 0.000000 0.000000 O\n0.000001 0.000000 0.500000 O\n0.500000 0.500000 -0.000000 O\n0.500001 0.500000 0.500000 O\n0.497152 0.006478 0.752248 O\n0.502849 -0.006478 0.247751 O\n0.876144 0.704510 0.739731 O\n0.128041 0.301962 0.750888 O\n0.871960 0.698037 0.249111 O\n",
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{
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"structure_string": "Sm2 Er6 S12\n1.0\n0.000000 10.958967 0.013259\n3.926632 0.000000 0.000000\n0.000000 -3.627624 -10.636375\nSm Er S\n2 6 12\ndirect\n0.452199 0.250000 0.805764 Sm\n0.547802 0.750000 0.194237 Sm\n0.338800 0.250000 0.414331 Er\n0.661201 0.750000 0.585670 Er\n0.819251 0.250000 0.997810 Er\n0.180750 0.750000 0.002190 Er\n0.061673 0.250000 0.667537 Er\n0.938328 0.750000 0.332463 Er\n0.104998 0.250000 0.440337 S\n0.895003 0.750000 0.559663 S\n0.979131 0.750000 0.113107 S\n0.020870 0.250000 0.886894 S\n0.616231 0.750000 0.963606 S\n0.304137 0.750000 0.250855 S\n0.417828 0.750000 0.595502 S\n0.582173 0.250000 0.404499 S\n0.238590 0.750000 0.773389 S\n0.695863 0.250000 0.749145 S\n0.383769 0.250000 0.036395 S\n0.761411 0.250000 0.226612 S\n",
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{
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"structure_string": "Na4 I4 O12\n1.0\n5.733492 -0.000000 0.000000\n0.000000 6.379038 0.000000\n0.000000 0.000000 8.084172\nNa I O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.010762 0.007384 0.250000 I\n0.510762 0.492616 0.750000 I\n0.489238 0.507384 0.250000 I\n0.989238 0.992616 0.750000 I\n0.207204 0.404502 0.750000 O\n0.707204 0.095499 0.250000 O\n0.138551 0.165237 0.081835 O\n0.638551 0.334763 0.918165 O\n0.361449 0.665237 0.418165 O\n0.638551 0.334763 0.581835 O\n0.861449 0.834764 0.918165 O\n0.361449 0.665237 0.081835 O\n0.792795 0.595499 0.250000 O\n0.138551 0.165237 0.418165 O\n0.861449 0.834764 0.581835 O\n0.292796 0.904502 0.750000 O\n",
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]
}