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{
"id": "jvasp-21556",
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"structure_string": "Na20 Sn4 As12\n1.0\n0.000000 8.587215 -0.004956\n7.629628 0.000000 0.000000\n0.000000 -8.463847 -13.656540\nNa Sn As\n20 4 12\ndirect\n0.992739 0.159992 0.417440 Na\n0.747668 0.975193 0.913863 Na\n0.007261 0.659992 0.082560 Na\n0.007260 0.840008 0.582560 Na\n0.685530 0.640832 0.756312 Na\n0.314469 0.140832 0.743689 Na\n0.314469 0.359168 0.243689 Na\n0.685530 0.859169 0.256312 Na\n0.252331 0.475193 0.586138 Na\n0.252331 0.024807 0.086138 Na\n0.992739 0.340008 0.917440 Na\n0.590089 0.460856 0.911278 Na\n0.409910 0.960857 0.588723 Na\n0.409910 0.539144 0.088723 Na\n0.590090 0.039144 0.411278 Na\n0.907415 0.003883 0.741478 Na\n0.092584 0.503883 0.758522 Na\n0.747668 0.524808 0.413863 Na\n0.092584 0.996118 0.258522 Na\n0.907415 0.496117 0.241478 Na\n0.662139 0.147890 0.090857 Sn\n0.337861 0.647890 0.409143 Sn\n0.337861 0.852111 0.909143 Sn\n0.662139 0.352111 0.590857 Sn\n0.637266 0.248647 0.240541 As\n0.362734 0.751354 0.759460 As\n0.669947 0.709837 0.571609 As\n0.330052 0.209837 0.928392 As\n0.330052 0.290163 0.428392 As\n0.669947 0.790163 0.071609 As\n0.056796 0.769373 0.416617 As\n0.943203 0.269373 0.083383 As\n0.943203 0.230627 0.583383 As\n0.056796 0.730627 0.916617 As\n0.362734 0.748647 0.259460 As\n0.637266 0.251353 0.740541 As\n",
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{
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"structure_string": "Si4 B4 H4 C12 N4 Cl8\n1.0\n8.070152 0.000000 0.487734\n0.000000 10.477005 0.000000\n1.570408 0.000000 6.140222\nSi B H C N Cl\n4 4 4 12 4 8\ndirect\n0.275278 0.838133 0.512039 Si\n0.724722 0.338133 0.987960 Si\n0.724722 0.161867 0.487960 Si\n0.275278 0.661867 0.012039 Si\n0.898857 0.936017 0.598825 B\n0.101144 0.436017 0.901174 B\n0.101143 0.063984 0.401174 B\n0.898857 0.563984 0.098825 B\n0.105691 0.503077 0.225302 H\n0.894309 0.003076 0.274698 H\n0.105691 -0.003076 0.725301 H\n0.894309 0.496924 0.774697 H\n0.440032 0.637147 0.224083 C\n0.313240 0.726150 0.271912 C\n0.686760 0.226149 0.228087 C\n0.686760 0.273851 0.728087 C\n0.313240 -0.226149 0.771912 C\n0.559968 0.137146 0.275917 C\n0.559968 0.362854 0.775916 C\n0.440032 -0.137146 0.724082 C\n0.457909 0.554517 0.037802 C\n0.542091 0.054517 0.462197 C\n0.542091 0.445483 0.962197 C\n0.457910 -0.054517 0.537802 C\n0.902711 0.045345 0.418039 N\n0.097289 0.545345 0.081961 N\n0.097289 -0.045345 0.581960 N\n0.902711 0.454656 0.918038 N\n0.148256 0.219630 0.488932 Cl\n0.756076 0.988058 0.871540 Cl\n0.243924 0.488057 0.628459 Cl\n0.243924 0.011943 0.128459 Cl\n0.756076 0.511943 0.371540 Cl\n-0.148256 0.780370 0.511068 Cl\n0.148256 0.280370 0.988932 Cl\n-0.148256 0.719630 0.011068 Cl\n",
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{
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"structure_string": "Sr4 Ta8 O24\n1.0\n5.649791 -0.000000 0.000000\n-0.000000 7.682876 0.000000\n0.000000 0.000000 11.119371\nSr Ta O\n4 8 24\ndirect\n0.961594 0.750000 0.460697 Sr\n0.461594 0.250000 0.039303 Sr\n0.038406 0.250000 0.539303 Sr\n0.538406 0.750000 0.960697 Sr\n0.463514 0.004329 0.357385 Ta\n0.036485 0.495672 0.857385 Ta\n0.536485 0.504329 0.642615 Ta\n0.963514 0.995672 0.142615 Ta\n0.536485 0.995672 0.642615 Ta\n0.963514 0.504329 0.142615 Ta\n0.463514 0.495672 0.357385 Ta\n0.036485 0.004329 0.857385 Ta\n0.638991 0.449333 0.212839 O\n0.281306 0.535145 0.524524 O\n0.781306 0.464855 0.975476 O\n0.138991 0.949334 0.287161 O\n0.638991 0.050667 0.212839 O\n0.861009 0.449333 0.712839 O\n0.361009 0.550667 0.787161 O\n0.861009 0.050667 0.712839 O\n0.361009 0.949334 0.787161 O\n0.138991 0.550667 0.287161 O\n0.218694 0.535145 0.024524 O\n0.467111 0.250000 0.646661 O\n0.781306 0.035145 0.975476 O\n0.281306 0.964855 0.524524 O\n0.532888 0.750000 0.353339 O\n0.032889 0.250000 0.146661 O\n0.218694 0.964855 0.024524 O\n0.967111 0.750000 0.853339 O\n0.357801 0.250000 0.370565 O\n0.857801 0.750000 0.129435 O\n0.642199 0.750000 0.629435 O\n0.142199 0.250000 0.870565 O\n0.718694 0.464855 0.475476 O\n0.718694 0.035145 0.475476 O\n",
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{
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"structure_string": "S32 O4\n1.0\n8.010772 0.000000 0.000000\n0.000000 7.980139 0.000000\n0.000000 0.000000 13.210248\nS O\n32 4\ndirect\n0.010588 0.499954 0.854855 S\n0.186653 0.335498 0.763990 S\n0.813347 0.835498 0.236011 S\n0.813347 0.335498 0.263989 S\n0.186653 0.835498 0.736011 S\n0.437635 0.958279 0.703577 S\n0.562365 0.458279 0.296423 S\n0.562365 0.958279 0.203577 S\n0.437635 0.458279 0.796423 S\n0.549822 0.780151 0.620909 S\n0.450178 0.280150 0.379091 S\n0.450178 0.780151 0.120909 S\n0.549822 0.280150 0.879091 S\n0.535978 0.851832 0.467448 S\n0.464022 0.351832 0.532552 S\n0.535978 0.351832 0.032552 S\n0.464022 0.851832 0.967448 S\n0.029806 0.360751 0.478440 S\n0.676872 0.249603 0.594013 S\n0.676872 0.749603 0.905987 S\n0.323128 0.249603 0.094013 S\n0.139891 0.931679 0.407567 S\n0.860109 0.431679 0.592433 S\n0.860109 0.931679 0.907568 S\n0.139891 0.431679 0.092433 S\n0.970194 0.860751 0.521560 S\n0.323128 0.749603 0.405987 S\n0.029806 0.860751 0.021560 S\n0.970194 0.360751 0.978440 S\n0.010588 -0.000046 0.645145 S\n0.989412 0.499954 0.354855 S\n0.989412 -0.000046 0.145145 S\n0.808580 0.173454 0.319421 O\n0.808580 0.673454 0.180579 O\n0.191419 0.673454 0.680579 O\n0.191419 0.173454 0.819421 O\n",
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{
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"created_at": "2022-09-04T14:35:48.395837Z",
"updated_at": "2022-09-04T14:35:48.395868Z",
"structure_string": "Cd4 P8 O24\n1.0\n7.478228 0.000000 0.000000\n0.000000 7.396209 0.000000\n0.000000 0.000000 8.512433\nCd P O\n4 8 24\ndirect\n0.856915 0.977724 0.796364 Cd\n0.356915 0.022276 0.703635 Cd\n0.643085 0.477724 0.203635 Cd\n0.143085 0.522276 0.296365 Cd\n0.163587 0.654409 0.906606 P\n0.663588 0.345591 0.593394 P\n0.440230 0.881350 0.336988 P\n0.336413 0.154409 0.093394 P\n0.059770 0.381350 0.663012 P\n0.559770 0.618650 0.836988 P\n0.940230 0.118650 0.163012 P\n0.836413 0.845591 0.406606 P\n0.396920 0.168387 0.927842 O\n0.364270 0.578553 0.903032 O\n0.922494 0.316903 0.203004 O\n0.077506 0.183097 0.703004 O\n0.864271 0.421447 0.596968 O\n0.853027 0.676654 0.308606 O\n0.603080 0.331613 0.427842 O\n0.442340 0.988871 0.173102 O\n0.646974 0.176654 0.691393 O\n0.577506 0.816904 0.796996 O\n0.810025 0.037981 0.048997 O\n0.557660 0.511129 0.673101 O\n0.689975 0.537981 0.951003 O\n0.057660 0.488871 0.826898 O\n0.942340 0.011129 0.326898 O\n0.135730 0.078553 0.096968 O\n0.103080 0.668387 0.072158 O\n0.146974 0.823346 0.808606 O\n0.189975 0.462019 0.548997 O\n0.353027 0.323346 0.191393 O\n0.310025 0.962019 0.451003 O\n0.896920 0.831613 0.572158 O\n0.422494 0.683097 0.296996 O\n0.635730 0.921447 0.403032 O\n",
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{
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"created_at": "2022-09-04T14:38:39.037076Z",
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"structure_string": "Ba4 N8 O24\n1.0\n8.147903 -0.000000 0.000000\n-0.000000 8.147903 -0.000000\n0.000000 -0.000000 8.147903\nBa N O\n4 8 24\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.850187 0.149812 0.649812 N\n0.149812 0.649812 0.850187 N\n0.649812 0.649812 0.649812 N\n0.649812 0.850187 0.149812 N\n0.149812 0.850187 0.350187 N\n0.350187 0.149812 0.850187 N\n0.350187 0.350187 0.350187 N\n0.850187 0.350187 0.149812 N\n0.788848 0.022714 0.715728 O\n0.288849 0.022714 0.784272 O\n0.022714 0.784272 0.288849 O\n0.788848 0.477286 0.215728 O\n0.711151 0.522714 0.715728 O\n0.522714 0.715728 0.711151 O\n0.715728 0.711151 0.522714 O\n0.215728 0.711151 0.977286 O\n0.715728 0.788848 0.022714 O\n0.784272 0.211151 0.522714 O\n0.522714 0.784272 0.211151 O\n0.477286 0.284272 0.288849 O\n0.711151 0.977286 0.215728 O\n0.977286 0.215728 0.711151 O\n0.211151 0.522714 0.784272 O\n0.288849 0.477286 0.284272 O\n0.977286 0.284272 0.211151 O\n0.284272 0.288849 0.477286 O\n0.284272 0.211151 0.977286 O\n0.215728 0.788848 0.477286 O\n0.211151 0.977286 0.284272 O\n0.784272 0.288849 0.022714 O\n0.022714 0.715728 0.788848 O\n0.477286 0.215728 0.788848 O\n",
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{
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"structure_string": "H16 C18 S2\n1.0\n6.078836 -0.042039 -0.579036\n-2.736264 5.654690 -1.238065\n-0.106849 0.005944 10.426756\nH C S\n16 18 2\ndirect\n0.737703 0.372612 0.036876 H\n0.372671 0.250403 0.364494 H\n0.372671 0.250402 0.864494 H\n0.456242 0.665874 0.594143 H\n0.083727 0.543018 0.421700 H\n0.083726 0.543018 0.921700 H\n0.977224 0.291444 0.690941 H\n0.977224 0.291444 0.190941 H\n0.456242 0.665874 0.094144 H\n0.892306 0.808429 0.082382 H\n0.170798 0.051356 0.169541 H\n0.170799 0.051357 0.669542 H\n0.785886 0.120074 0.785306 H\n0.785886 0.120074 0.285306 H\n0.737702 0.372613 0.536876 H\n0.892306 0.808428 0.582382 H\n0.845433 0.109542 0.188742 C\n0.970139 0.823240 0.287551 C\n0.970139 0.823240 0.787552 C\n0.388821 0.119590 0.413410 C\n0.388821 0.119589 0.913409 C\n0.595645 0.189317 0.512093 C\n0.595646 0.189318 0.012093 C\n0.845432 0.109542 0.688741 C\n0.198544 0.887072 0.380514 C\n0.979535 0.947877 0.677161 C\n0.623233 0.029285 0.579512 C\n0.623233 0.029285 0.079512 C\n0.228572 0.725134 0.447226 C\n0.228571 0.725133 0.947226 C\n0.436662 0.794249 0.543698 C\n0.436662 0.794249 0.043698 C\n0.979535 0.947877 0.177161 C\n0.198545 0.887073 0.880514 C\n0.705969 0.625909 0.806386 S\n0.705969 0.625908 0.306386 S\n",
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{
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"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842603 0.002245\n7.642604 0.000000 0.000000\n0.000000 -0.033624 -9.706613\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991983 0.393728 0.836445 Ca\n0.008018 0.893728 0.663556 Ca\n0.008018 0.606271 0.163556 Ca\n0.991982 0.106272 0.336445 Ca\n0.529259 0.732419 0.915938 Si\n0.470742 0.232420 0.584062 Si\n0.470741 0.267580 0.084062 Si\n0.529258 0.767580 0.415938 Si\n0.428421 0.911368 0.159027 B\n0.571579 0.411368 0.340973 B\n0.571579 0.088632 0.840973 B\n0.428421 0.588631 0.659027 B\n0.810016 0.535134 0.577367 H\n0.189984 0.035134 0.922633 H\n0.810016 0.964865 0.077367 H\n0.189984 0.464865 0.422633 H\n0.678306 0.335265 0.211203 O\n0.261005 0.413739 0.336686 O\n0.738995 0.913739 0.163314 O\n0.687372 0.588990 0.354290 O\n0.312628 0.088990 0.145711 O\n0.312629 0.411009 0.645711 O\n0.687372 0.911009 0.854289 O\n0.321693 0.835265 0.288798 O\n0.678307 0.164734 0.711203 O\n0.241715 0.095461 0.535979 O\n0.325916 0.697576 0.542363 O\n0.674084 0.197576 0.957637 O\n0.674084 0.302423 0.457637 O\n0.325916 0.802423 0.042364 O\n0.758286 0.904538 0.464022 O\n0.241714 0.404538 0.035979 O\n0.261005 0.086261 0.836686 O\n0.758286 0.595461 0.964022 O\n0.321694 0.664734 0.788797 O\n0.738995 0.586260 0.663314 O\n",
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{
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