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{
"id": "jvasp-98193",
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"structure_string": "C4 I4 F28\n1.0\n6.940940 0.000000 -1.279052\n0.000000 8.405968 0.000000\n0.003067 0.000000 8.563533\nC I F\n4 4 28\ndirect\n0.342198 0.590673 0.714360 C\n0.657802 0.090673 0.785640 C\n0.657802 0.409327 0.285640 C\n0.342198 0.909327 0.214360 C\n0.847120 0.912506 0.681595 I\n0.152881 0.412506 0.818405 I\n0.847120 0.587494 0.181595 I\n0.152881 0.087494 0.318405 I\n0.524278 0.953787 0.255048 F\n0.285736 0.911075 0.058013 F\n0.714264 0.411075 0.441987 F\n0.164182 0.298638 0.619808 F\n0.835819 0.798638 0.880192 F\n0.835818 0.701363 0.380192 F\n0.164182 0.201363 0.119808 F\n0.397990 0.317105 0.915527 F\n0.602010 0.817105 0.584473 F\n0.602010 0.682895 0.084473 F\n0.397990 0.182895 0.415527 F\n0.182344 0.565370 0.995908 F\n0.817656 0.065370 0.504091 F\n0.817656 0.434631 0.004091 F\n0.182344 0.934631 0.495909 F\n0.951669 0.551919 0.698922 F\n0.048332 0.051919 0.801077 F\n0.714264 0.088925 0.941987 F\n0.951669 0.948082 0.198923 F\n0.311816 0.732887 0.774104 F\n0.688184 0.232887 0.725895 F\n0.688184 0.267113 0.225896 F\n0.311816 0.767113 0.274105 F\n0.524278 0.546213 0.755048 F\n0.475723 0.046213 0.744952 F\n0.475723 0.453787 0.244952 F\n0.285736 0.588926 0.558013 F\n0.048332 0.448082 0.301078 F\n",
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{
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"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",
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{
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"updated_at": "2022-09-04T14:37:32.631083Z",
"structure_string": "Rb20 Si4 As12\n1.0\n5.652485 -0.000000 0.000000\n-0.000000 14.177842 0.000000\n0.000000 0.000000 15.477025\nRb Si As\n20 4 12\ndirect\n0.750001 0.943742 0.348229 Rb\n0.750001 0.431175 0.441611 Rb\n0.250000 0.568825 0.558389 Rb\n0.250000 0.068825 0.941611 Rb\n0.750001 0.386211 0.680956 Rb\n0.250000 0.613789 0.319044 Rb\n0.750001 0.886211 0.819044 Rb\n0.250000 0.113789 0.180956 Rb\n0.750001 0.147884 0.543719 Rb\n0.250000 0.852116 0.456281 Rb\n0.750001 0.931175 0.058389 Rb\n0.250000 0.352116 0.043719 Rb\n0.750001 0.716275 0.213636 Rb\n0.250000 0.283724 0.786364 Rb\n0.750001 0.216275 0.286364 Rb\n0.250000 0.783724 0.713636 Rb\n0.250000 0.556258 0.848229 Rb\n0.750001 0.647884 0.956280 Rb\n0.750001 0.443742 0.151771 Rb\n0.250000 0.056258 0.651770 Rb\n0.750001 0.239368 0.922957 Si\n0.250000 0.760632 0.077042 Si\n0.750001 0.739368 0.577042 Si\n0.250000 0.260632 0.422958 Si\n0.750001 0.135923 0.804941 As\n0.250000 0.815614 0.935813 As\n0.750001 0.184386 0.064186 As\n0.250000 0.315614 0.564186 As\n0.750001 0.684386 0.435814 As\n0.250000 0.598141 0.094768 As\n0.750001 0.401859 0.905232 As\n0.250000 0.098141 0.405232 As\n0.750001 0.901859 0.594768 As\n0.750001 0.635923 0.695059 As\n0.250000 0.364077 0.304941 As\n0.250000 0.864076 0.195059 As\n",
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{
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"created_at": "2022-09-04T14:35:50.303526Z",
"updated_at": "2022-09-04T14:35:50.303562Z",
"structure_string": "Si12 O24\n1.0\n8.732081 -0.000000 -3.087258\n-4.366040 7.562204 -3.087258\n0.000000 0.000000 9.261770\nSi O\n12 24\ndirect\n0.249050 0.624525 0.124525 Si\n0.624526 0.500000 0.375474 Si\n0.875474 0.500000 0.124525 Si\n0.875474 0.375474 0.750949 Si\n0.624526 0.124526 0.249050 Si\n0.124526 0.875474 0.500000 Si\n0.500000 0.124526 0.875474 Si\n0.500000 0.375474 0.624525 Si\n0.750949 0.875474 0.375474 Si\n0.375474 0.750949 0.875474 Si\n0.124526 0.249050 0.624526 Si\n0.375474 0.624525 0.500000 Si\n0.264037 0.632019 0.632019 O\n0.367981 0.632019 -0.000000 O\n0.500000 0.912831 0.087168 O\n0.632019 -0.000000 0.367981 O\n-0.000000 0.632019 0.367980 O\n0.912831 0.087168 0.500000 O\n0.367981 0.735962 0.367980 O\n0.500000 0.587168 0.412831 O\n0.825663 0.412831 0.912831 O\n0.735962 0.367981 0.367980 O\n0.632019 0.367981 -0.000000 O\n0.087168 0.500000 0.912831 O\n-0.000000 0.367981 0.632019 O\n0.412831 0.500000 0.587168 O\n0.587168 0.174337 0.087168 O\n0.587168 0.412831 0.500000 O\n0.632019 0.632019 0.264037 O\n0.087168 0.587168 0.174337 O\n0.367981 0.367981 0.735962 O\n0.632019 0.264037 0.632019 O\n0.912831 0.825663 0.412831 O\n0.412831 0.912831 0.825662 O\n0.174337 0.087168 0.587168 O\n0.367981 -0.000000 0.632019 O\n",
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{
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"structure_string": "H18 C16 N2\n1.0\n5.260260 -0.023842 -1.056874\n-1.461076 6.735197 -1.960450\n-0.355180 -0.035289 8.934371\nH C N\n18 16 2\ndirect\n0.582699 0.359713 0.261419 H\n0.727836 0.069615 0.118191 H\n0.314316 0.538746 0.644874 H\n0.314356 0.538729 0.144871 H\n0.452554 0.244772 0.001855 H\n0.452565 0.244803 0.501881 H\n0.820832 0.799957 0.263557 H\n0.820738 0.799961 0.763506 H\n0.374013 0.943779 0.789782 H\n0.727791 0.069638 0.618197 H\n0.641204 0.607781 0.005185 H\n0.641149 0.607745 0.505147 H\n0.180560 0.937683 0.597817 H\n0.180646 0.937685 0.097850 H\n0.071342 0.668132 0.279110 H\n0.071248 0.668137 0.779097 H\n0.582705 0.359752 0.761447 H\n0.374077 0.943807 0.289829 H\n0.856659 0.171488 0.734735 C\n0.856686 0.171473 0.234731 C\n0.774984 0.335103 0.813588 C\n0.774982 0.335079 0.313572 C\n0.973274 0.754315 0.708193 C\n0.973351 0.754320 0.208225 C\n0.100182 0.132623 0.802008 C\n0.100216 0.132628 0.302019 C\n0.260899 0.269659 0.448577 C\n0.934366 0.469811 0.464703 C\n0.260890 0.269642 0.948563 C\n0.184377 0.437944 0.028777 C\n0.184356 0.437952 0.528777 C\n0.174317 0.943905 0.721480 C\n0.174382 0.943917 0.221511 C\n0.934392 0.469822 0.964718 C\n0.839898 0.626248 0.042483 N\n0.839846 0.626229 0.542452 N\n",
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"structure_string": "Rb2 Ti4 P6 O24\n1.0\n7.466374 -0.011972 5.540864\n2.781389 6.928981 5.540864\n-0.017737 -0.011972 9.297720\nRb Ti P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500000 0.500000 Rb\n0.349157 0.349158 0.349158 Ti\n0.849157 0.849158 0.849157 Ti\n0.650842 0.650843 0.650842 Ti\n0.150842 0.150842 0.150842 Ti\n0.971158 0.528842 0.250000 P\n0.250000 0.971159 0.528841 P\n0.528841 0.250000 0.971159 P\n0.749999 0.028842 0.471159 P\n0.471158 0.750000 0.028841 P\n0.028841 0.471159 0.750000 P\n0.429633 0.567566 0.196521 O\n0.070366 0.303479 0.932434 O\n0.303479 0.932435 0.070366 O\n0.932434 0.070367 0.303479 O\n0.567565 0.196522 0.429633 O\n0.196521 0.429634 0.567565 O\n0.845345 0.486942 0.766322 O\n0.067565 0.929633 0.696521 O\n0.486941 0.766322 0.845346 O\n0.766321 0.845346 0.486941 O\n0.733677 0.013059 0.654654 O\n0.013058 0.654654 0.733678 O\n0.654654 0.733678 0.013058 O\n0.154654 0.513058 0.233678 O\n0.696520 0.067566 0.929633 O\n0.513058 0.233678 0.154654 O\n0.266322 0.986942 0.345345 O\n0.986941 0.345346 0.266322 O\n0.345345 0.266322 0.986942 O\n0.570366 0.432435 0.803478 O\n0.803478 0.570367 0.432434 O\n0.432434 0.803479 0.570366 O\n0.233678 0.154654 0.513058 O\n0.929633 0.696522 0.067565 O\n",
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{
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"structure_string": "Na4 Zr2 Si8 O22\n1.0\n7.487252 -0.021516 1.008284\n0.553374 7.466805 1.008284\n0.005744 0.005319 8.624547\nNa Zr Si O\n4 2 8 22\ndirect\n0.073526 0.926474 0.250000 Na\n0.926472 0.073527 0.750000 Na\n0.391318 0.608682 0.250000 Na\n0.608681 0.391318 0.750000 Na\n0.500000 -0.000000 -0.000000 Zr\n-0.000001 0.500000 0.500000 Zr\n0.804122 0.663526 0.139472 Si\n0.336473 0.195878 0.360527 Si\n0.733598 0.166400 0.429087 Si\n0.166400 0.733599 0.929087 Si\n0.266401 0.833600 0.570913 Si\n0.195877 0.336474 0.860527 Si\n0.833599 0.266401 0.070913 Si\n0.663525 0.804123 0.639473 Si\n0.755696 0.956361 0.504521 O\n0.245713 0.526090 0.917934 O\n0.473910 0.754286 0.582066 O\n0.043639 0.244303 0.995479 O\n0.204728 0.376194 0.351666 O\n0.840049 0.159951 0.250000 O\n0.623805 0.795272 0.148334 O\n0.795271 0.623806 0.648334 O\n0.376194 0.204728 0.851666 O\n0.108830 0.376343 0.697003 O\n0.623656 0.891170 0.802996 O\n0.891169 0.623657 0.302996 O\n0.244303 0.043639 0.495479 O\n0.376343 0.108830 0.197003 O\n0.715901 0.172887 0.965508 O\n0.172887 0.715903 0.465507 O\n0.284097 0.827113 0.034492 O\n0.754286 0.473910 0.082066 O\n0.526089 0.245714 0.417934 O\n0.159950 0.840050 0.750000 O\n0.827112 0.284098 0.534492 O\n0.956360 0.755697 0.004520 O\n",
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{
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