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{
"id": "jvasp-97682",
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"structure_string": "Na8 Ge8 Se20\n1.0\n6.212734 0.000000 0.000000\n0.000000 11.277605 0.000000\n0.000000 0.000000 13.865721\nNa Ge Se\n8 8 20\ndirect\n0.997696 0.495859 0.060784 Na\n0.002303 0.995859 0.939216 Na\n0.502303 0.495859 0.560784 Na\n0.497697 0.995859 0.439216 Na\n0.997530 0.247088 0.461831 Na\n0.002469 0.747088 0.538169 Na\n0.502469 0.247088 0.961831 Na\n0.497530 0.747088 0.038169 Na\n0.545217 0.701136 0.347179 Ge\n0.454783 0.201137 0.652821 Ge\n0.954782 0.701136 0.847179 Ge\n0.045217 0.201137 0.152821 Ge\n0.962157 0.392989 0.704946 Ge\n0.462157 0.892989 0.795054 Ge\n0.537842 0.392989 0.204946 Ge\n0.037842 0.892989 0.295054 Ge\n0.092022 0.857244 0.741164 Se\n0.499919 0.983507 0.944432 Se\n0.500080 0.483507 0.055568 Se\n0.001226 0.246749 0.990364 Se\n0.998774 0.746749 0.009636 Se\n0.498774 0.246749 0.490364 Se\n0.501225 0.746749 0.509636 Se\n0.907977 0.357244 0.258836 Se\n0.592022 0.357244 0.758836 Se\n0.612116 0.004628 0.661739 Se\n0.411633 0.187997 0.211630 Se\n0.588367 0.687997 0.788370 Se\n0.088367 0.187997 0.711630 Se\n0.911633 0.687997 0.288370 Se\n0.887883 0.004628 0.161739 Se\n0.112116 0.504628 0.838261 Se\n-0.000080 0.483507 0.555567 Se\n0.387883 0.504628 0.338261 Se\n0.407977 0.857244 0.241164 Se\n0.000080 0.983507 0.444432 Se\n",
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{
"id": "jvasp-112011",
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"updated_at": "2022-09-04T14:38:42.892309Z",
"structure_string": "Ti1 H20 C11 O4\n1.0\n4.777061 -0.167630 0.362164\n0.082657 6.972412 1.591519\n-0.233627 -0.546211 9.121700\nTi H C O\n1 20 11 4\ndirect\n0.028891 0.113594 0.112420 Ti\n0.862077 0.585591 0.517746 H\n0.036597 0.805426 0.322614 H\n0.084515 0.017480 0.401663 H\n0.093448 0.393087 -0.105184 H\n0.032145 0.187618 0.810657 H\n0.774309 0.431655 0.684962 H\n0.378061 0.913458 0.316096 H\n0.385527 0.288704 0.559468 H\n0.725427 0.260508 0.481989 H\n0.379307 0.241135 -0.139426 H\n0.250638 0.494243 0.342211 H\n0.439613 0.923812 0.705278 H\n0.723880 0.907836 0.577580 H\n0.340759 0.701651 0.534411 H\n0.330359 0.578883 0.717568 H\n0.495770 0.600682 0.946227 H\n0.816611 0.641233 0.028910 H\n0.953181 0.675608 0.774832 H\n0.930631 0.907462 0.811167 H\n0.593643 0.593670 0.306425 H\n0.658183 0.706650 0.954683 C\n0.804028 0.782429 0.801205 C\n0.471942 0.652910 0.627963 C\n0.604951 0.828304 0.674765 C\n0.473431 0.460539 0.341551 C\n0.530984 0.866593 0.022641 C\n0.685206 0.509779 0.584709 C\n0.538462 0.336503 0.226418 C\n0.153751 0.940377 0.311379 C\n0.155656 0.245381 -0.108484 C\n0.564859 0.366162 0.496660 C\n0.798643 0.299583 0.202971 O\n0.706005 -0.019707 0.070611 O\n0.272462 -0.108463 0.029709 O\n0.348493 0.274598 0.157005 O\n",
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{
"id": "jvasp-97756",
"created_at": "2022-09-04T14:35:59.565431Z",
"updated_at": "2022-09-04T14:35:59.565446Z",
"structure_string": "H24 O12\n1.0\n6.504055 0.000000 0.000000\n0.000000 6.504055 0.000000\n0.000000 0.000000 6.592478\nH O\n24 12\ndirect\n0.480729 0.165900 0.534918 H\n0.292303 0.356208 0.112865 H\n0.707696 0.643791 0.612865 H\n0.143792 0.792303 0.362865 H\n0.856208 0.207696 0.862865 H\n0.356208 0.292303 0.887135 H\n0.643791 0.707696 0.387135 H\n0.792303 0.143792 0.637135 H\n0.116192 0.146962 0.298506 H\n0.883807 0.853038 0.798506 H\n0.353038 0.616192 0.548506 H\n0.646961 0.383807 0.048505 H\n0.207696 0.856208 0.137135 H\n0.853038 0.883807 0.201495 H\n0.383807 0.646961 0.951495 H\n0.616192 0.353038 0.451495 H\n0.980729 0.334099 0.215083 H\n0.019271 0.665900 0.715083 H\n0.165900 0.480729 0.465083 H\n0.834099 0.519270 0.965083 H\n0.334099 0.980729 0.784918 H\n0.665900 0.019271 0.284918 H\n0.519270 0.834099 0.034917 H\n0.146962 0.116192 0.701495 H\n0.199546 0.609669 0.541058 O\n0.800454 0.390330 0.041058 O\n0.300454 0.109669 0.708942 O\n0.699545 0.890330 0.208942 O\n0.390330 0.800454 0.958942 O\n0.889892 0.110107 0.750000 O\n0.389892 0.389892 0.000000 O\n0.610107 0.610107 0.500000 O\n0.110107 0.889892 0.250000 O\n0.890330 0.699545 0.791058 O\n0.609669 0.199546 0.458942 O\n0.109669 0.300454 0.291058 O\n",
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{
"id": "jvasp-26862",
"created_at": "2022-09-04T14:38:33.974086Z",
"updated_at": "2022-09-04T14:38:33.974115Z",
"structure_string": "Ti20 Si16\n1.0\n6.730288 0.000000 -0.000000\n0.000000 6.730288 0.000000\n-0.000000 -0.000000 12.216544\nTi Si\n20 16\ndirect\n0.995433 0.149672 0.621631 Ti\n0.829530 0.829530 0.500000 Ti\n0.670471 0.329530 0.750000 Ti\n0.170470 0.170470 0.000000 Ti\n0.655217 0.996896 0.281401 Ti\n0.344784 0.003104 0.781401 Ti\n0.996896 0.655217 0.718599 Ti\n0.496896 0.844784 0.031401 Ti\n0.503104 0.155217 0.531401 Ti\n0.844784 0.496896 0.968599 Ti\n0.329530 0.670471 0.250000 Ti\n0.003104 0.344784 0.218599 Ti\n0.850328 0.004567 0.878369 Ti\n0.149672 0.995433 0.378369 Ti\n0.004567 0.850328 0.121631 Ti\n0.504567 0.649672 0.628369 Ti\n0.495433 0.350328 0.128369 Ti\n0.649672 0.504567 0.371631 Ti\n0.350328 0.495433 0.871631 Ti\n0.155217 0.503104 0.468599 Ti\n0.705427 0.642006 0.171435 Si\n0.205427 0.857994 0.578564 Si\n0.794573 0.142006 0.078565 Si\n0.857994 0.205427 0.421435 Si\n0.142006 0.794573 0.921435 Si\n0.294573 0.357994 0.671435 Si\n0.698470 0.956569 0.686470 Si\n0.543431 0.198470 0.936470 Si\n0.956569 0.698470 0.313529 Si\n0.456569 0.801530 0.436470 Si\n0.801530 0.456569 0.563529 Si\n0.198470 0.543431 0.063529 Si\n0.043431 0.301530 0.813529 Si\n0.357994 0.294573 0.328565 Si\n0.301530 0.043431 0.186470 Si\n0.642006 0.705427 0.828564 Si\n",
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{
"id": "jvasp-25616",
"created_at": "2022-09-04T14:37:50.677234Z",
"updated_at": "2022-09-04T14:37:50.677254Z",
"structure_string": "K4 Sc2 Si8 O20 F2\n1.0\n7.297586 0.000000 3.759969\n3.648793 7.980217 1.879985\n-0.006265 -0.000000 8.973954\nK Sc Si O F\n4 2 8 20 2\ndirect\n0.681768 0.633978 0.002487 K\n0.684254 -0.002487 0.633978 K\n0.318232 0.366022 -0.002487 K\n0.315746 0.002487 0.366022 K\n0.754553 -0.000000 -0.000000 Sc\n0.245448 -0.000000 -0.000000 Sc\n0.878232 0.302639 0.324090 Si\n0.819128 0.675910 0.302639 Si\n0.504962 0.697361 0.675909 Si\n0.797676 0.324090 0.697360 Si\n0.202323 0.675910 0.302639 Si\n0.495037 0.302639 0.324090 Si\n0.121767 0.697361 0.675909 Si\n0.180871 0.324090 0.697360 Si\n0.588768 0.497245 0.728300 O\n0.682932 0.728300 0.502755 O\n0.086011 0.728300 0.502755 O\n0.683425 0.260699 0.372450 O\n0.730023 0.820363 0.187953 O\n0.550386 0.187954 0.179637 O\n0.261661 0.820363 0.187953 O\n0.082024 0.187954 0.179637 O\n0.316574 0.739301 0.627549 O\n0.317067 0.271700 0.497245 O\n0.738338 0.179637 0.812046 O\n0.055875 0.627550 0.260699 O\n0.269976 0.179637 0.812046 O\n0.411231 0.502755 0.271700 O\n0.185687 0.497245 0.728300 O\n0.917975 0.812047 0.820362 O\n0.913988 0.271700 0.497244 O\n0.449613 0.812047 0.820362 O\n0.944124 0.372450 0.739300 O\n0.814312 0.502755 0.271700 O\n0.000000 0.000000 0.000000 F\n0.500000 -0.000000 -0.000000 F\n",
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{
"id": "jvasp-96931",
"created_at": "2022-09-04T14:35:51.879250Z",
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"structure_string": "Ho20 Si16\n1.0\n7.371981 0.000000 0.000000\n0.000000 7.667785 0.000000\n0.000000 0.000000 14.486083\nHo Si\n20 16\ndirect\n0.652681 0.988434 0.750000 Ho\n0.678714 0.821035 0.376754 Ho\n0.178714 0.678964 0.123245 Ho\n0.321286 0.178964 0.876754 Ho\n0.321286 0.178964 0.623245 Ho\n0.821286 0.321036 0.876754 Ho\n0.178714 0.678964 0.376754 Ho\n0.678714 0.821035 0.123245 Ho\n0.976574 0.817866 0.597389 Ho\n0.476574 0.682133 0.902611 Ho\n0.821286 0.321036 0.623245 Ho\n0.023426 0.182134 0.097389 Ho\n0.023426 0.182134 0.402611 Ho\n0.523426 0.317866 0.097389 Ho\n0.476574 0.682133 0.597389 Ho\n0.976574 0.817866 0.902611 Ho\n0.347318 0.011565 0.250000 Ho\n0.847318 0.488434 0.250000 Ho\n0.152682 0.511565 0.750000 Ho\n0.523426 0.317866 0.402611 Ho\n0.652364 0.029478 0.539589 Si\n0.152364 0.470522 0.960411 Si\n0.152364 0.470522 0.539589 Si\n0.652364 0.029478 0.960411 Si\n0.347636 0.970522 0.460411 Si\n0.847636 0.529478 0.039589 Si\n0.975391 0.895898 0.250000 Si\n0.228004 0.370355 0.250000 Si\n0.524608 0.395898 0.750000 Si\n0.024608 0.104102 0.750000 Si\n0.728004 0.129645 0.250000 Si\n0.271996 0.870354 0.750000 Si\n0.771996 0.629645 0.750000 Si\n0.347636 0.970522 0.039589 Si\n0.475391 0.604102 0.250000 Si\n0.847636 0.529478 0.460411 Si\n",
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"structure_string": "K6 Np2 H12 O16\n1.0\n0.000000 7.583018 -0.019755\n8.264212 0.000000 0.000000\n0.000000 -3.575172 -6.949843\nK Np H O\n6 2 12 16\ndirect\n0.000000 0.000000 0.500000 K\n0.584909 0.192279 0.540973 K\n0.415091 0.807720 0.459027 K\n0.415091 0.692279 0.959027 K\n0.000000 0.500000 0.000000 K\n0.584909 0.307720 0.040973 K\n0.000000 0.500000 0.500000 Np\n0.000000 0.000000 0.000000 Np\n0.573880 0.523593 0.369776 H\n0.426121 0.023593 0.130224 H\n0.647064 0.966912 0.175620 H\n0.174758 0.291734 0.825391 H\n0.647064 0.533087 0.675620 H\n0.426121 0.476406 0.630224 H\n0.352937 0.466912 0.324380 H\n0.825243 0.791734 0.674609 H\n0.825243 0.708266 0.174610 H\n0.352937 0.033087 0.824380 H\n0.174758 0.208266 0.325391 H\n0.573880 0.976406 0.869776 H\n0.138158 0.801416 0.076195 O\n0.442383 0.492177 0.264176 O\n0.861843 0.301417 0.423805 O\n0.807103 0.906019 0.702977 O\n0.798986 0.921737 0.083618 O\n0.861843 0.198583 0.923805 O\n0.201015 0.078262 0.916382 O\n0.192897 0.093980 0.297023 O\n0.798986 0.578262 0.583618 O\n0.138158 0.698583 0.576195 O\n0.201015 0.421738 0.416382 O\n0.192897 0.406020 0.797023 O\n0.807103 0.593980 0.202978 O\n0.442383 0.007823 0.764176 O\n0.557617 0.507823 0.735824 O\n0.557617 0.992176 0.235824 O\n",
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{
"id": "jvasp-23042",
"created_at": "2022-09-04T14:38:29.495159Z",
"updated_at": "2022-09-04T14:38:29.495178Z",
"structure_string": "Sr8 Ge8 Se20\n1.0\n0.000000 8.515168 0.008968\n12.382041 0.000000 0.000000\n0.000000 -7.891758 -9.218759\nSr Ge Se\n8 8 20\ndirect\n0.538458 0.196664 0.479445 Sr\n0.461542 0.696664 0.020555 Sr\n0.461542 0.803336 0.520555 Sr\n0.538458 0.303336 0.979445 Sr\n0.012918 0.336613 0.469363 Sr\n0.987082 0.836613 0.030637 Sr\n0.987082 0.663387 0.530637 Sr\n0.012918 0.163387 0.969363 Sr\n0.157358 0.049666 0.667208 Ge\n0.842642 0.549666 0.832792 Ge\n0.842642 0.950334 0.332792 Ge\n0.157358 0.450334 0.167208 Ge\n0.515021 0.520368 0.313451 Ge\n0.484979 0.020368 0.186549 Ge\n0.515021 0.979632 0.813451 Ge\n0.484979 0.479632 0.686549 Ge\n0.250318 0.558162 0.454206 Se\n0.478398 0.714788 0.291482 Se\n0.521602 0.214788 0.208518 Se\n0.318380 0.992764 0.284549 Se\n0.681620 0.492764 0.215451 Se\n0.681620 0.007236 0.715451 Se\n0.318380 0.507236 0.784549 Se\n0.749682 0.058162 0.045794 Se\n0.250318 0.941837 0.954206 Se\n0.896208 0.909386 0.557014 Se\n0.937647 0.792668 0.277269 Se\n0.937646 0.707332 0.777269 Se\n0.062353 0.292668 0.222731 Se\n0.062353 0.207332 0.722731 Se\n0.103792 0.090614 0.442986 Se\n0.896208 0.590614 0.057014 Se\n0.478397 0.785212 0.791482 Se\n0.103792 0.409386 0.942986 Se\n0.749682 0.441838 0.545794 Se\n0.521602 0.285212 0.708518 Se\n",
"nsites": 36,
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"elements": [
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{
"id": "jvasp-23962",
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