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{
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"structure_string": "Ca4 N8 O24\n1.0\n7.540656 -0.000000 0.000000\n0.000000 7.540656 -0.000000\n0.000000 0.000000 7.540656\nCa N O\n4 8 24\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.840046 0.159955 0.659955 N\n0.159955 0.659955 0.840046 N\n0.659955 0.659955 0.659955 N\n0.659955 0.840046 0.159955 N\n0.159955 0.840046 0.340045 N\n0.340045 0.159955 0.840046 N\n0.340045 0.340045 0.340045 N\n0.840046 0.340045 0.159955 N\n0.782290 0.023886 0.739310 O\n0.282290 0.023886 0.760691 O\n0.023886 0.760691 0.282290 O\n0.782290 0.476114 0.239310 O\n0.717710 0.523886 0.739310 O\n0.523886 0.739310 0.717710 O\n0.739310 0.717710 0.523886 O\n0.239310 0.717710 0.976114 O\n0.739310 0.782290 0.023886 O\n0.760691 0.217710 0.523886 O\n0.523886 0.760691 0.217710 O\n0.476114 0.260690 0.282290 O\n0.717710 0.976114 0.239310 O\n0.976114 0.239310 0.717710 O\n0.217710 0.523886 0.760691 O\n0.282290 0.476114 0.260690 O\n0.976114 0.260690 0.217710 O\n0.260690 0.282290 0.476114 O\n0.260690 0.217710 0.976114 O\n0.239310 0.782290 0.476114 O\n0.217710 0.976114 0.260690 O\n0.760691 0.282290 0.023886 O\n0.023886 0.739310 0.782290 O\n0.476114 0.239310 0.782290 O\n",
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{
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"structure_string": "Nb6 Cl30\n1.0\n5.796941 -0.008266 0.041959\n0.088353 12.771453 0.333919\n-0.019922 -0.002561 12.776108\nNb Cl\n6 30\ndirect\n0.000000 0.111523 0.888477 Nb\n0.487356 0.221660 0.444818 Nb\n0.512644 0.555181 0.778340 Nb\n-0.000000 0.888476 0.111523 Nb\n0.487356 0.444818 0.221661 Nb\n0.512644 0.778339 0.555182 Nb\n0.265575 0.802924 0.417273 Cl\n0.734425 0.582726 0.197076 Cl\n0.285206 0.614029 0.614029 Cl\n0.240794 0.469458 0.083580 Cl\n0.724752 0.132493 0.327926 Cl\n0.275248 0.672074 0.867507 Cl\n0.275248 0.867507 0.672075 Cl\n0.724752 0.327925 0.132493 Cl\n0.240794 0.083580 0.469459 Cl\n0.759204 0.530541 0.916420 Cl\n0.759204 0.916419 0.530542 Cl\n0.714793 0.385971 0.385971 Cl\n0.249262 0.338218 0.534111 Cl\n0.230738 0.947325 0.947326 Cl\n0.750738 0.465889 0.661783 Cl\n0.750737 0.661782 0.465890 Cl\n0.249262 0.534110 0.338218 Cl\n0.734425 0.197075 0.582727 Cl\n0.265575 0.417273 0.802925 Cl\n0.751511 0.249810 0.863698 Cl\n0.259270 0.280679 0.280679 Cl\n0.248489 0.136302 0.750190 Cl\n0.751511 0.863697 0.249810 Cl\n0.232548 0.200701 0.005232 Cl\n0.767451 0.994767 0.799299 Cl\n0.767452 0.799298 0.994768 Cl\n0.232548 0.005232 0.200701 Cl\n0.769261 0.052674 0.052675 Cl\n0.248489 0.750189 0.136302 Cl\n0.740729 0.719320 0.719321 Cl\n",
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{
"id": "jvasp-21130",
"created_at": "2022-09-04T14:37:30.727359Z",
"updated_at": "2022-09-04T14:37:30.727383Z",
"structure_string": "Na4 Cd6 Si6 O20\n1.0\n5.157379 -0.000000 0.000000\n-2.578689 8.312827 -0.566225\n0.000000 0.054606 11.066865\nNa Cd Si O\n4 6 6 20\ndirect\n0.285070 0.092202 0.467575 Na\n0.192869 0.907799 0.032426 Na\n0.714930 0.907799 0.532426 Na\n0.807131 0.092202 0.967575 Na\n0.000000 0.500000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.056206 0.684842 0.293804 Cd\n0.371363 0.315159 0.206196 Cd\n0.943795 0.315159 0.706197 Cd\n0.628637 0.684842 0.793804 Cd\n0.814732 0.000000 0.250000 Si\n0.459168 0.300908 0.899441 Si\n0.540833 0.699093 0.100560 Si\n0.841739 0.300908 0.399441 Si\n0.185268 0.000000 0.750000 Si\n0.158261 0.699093 0.600560 Si\n0.589834 0.294375 0.033793 O\n0.295460 0.705626 0.466207 O\n0.163413 0.312768 0.397228 O\n0.970291 0.907684 0.848778 O\n0.850646 0.687232 0.102772 O\n0.836587 0.687233 0.602772 O\n0.149355 0.312768 0.897229 O\n0.755078 0.440962 0.328831 O\n0.314117 0.559039 0.171170 O\n0.244922 0.559039 0.671170 O\n0.410166 0.705626 0.966207 O\n0.685884 0.440962 0.828831 O\n0.545839 0.875848 0.172764 O\n0.330011 0.875849 0.672764 O\n0.454161 0.124152 0.827237 O\n0.937392 0.907684 0.348778 O\n0.029709 0.092317 0.151223 O\n0.062609 0.092317 0.651223 O\n0.669990 0.124152 0.327237 O\n0.704541 0.294375 0.533794 O\n",
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"elements": [
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],
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"density_atomic": 0.07584975126626269,
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{
"id": "jvasp-12791",
"created_at": "2022-09-04T14:37:10.846901Z",
"updated_at": "2022-09-04T14:37:10.846921Z",
"structure_string": "Sc8 Cu8 O20\n1.0\n3.231736 0.000000 0.000000\n0.000000 10.542983 0.000000\n0.000000 0.000000 12.103181\nSc Cu O\n8 8 20\ndirect\n0.718001 0.460503 0.669325 Sc\n0.781779 0.789357 0.999576 Sc\n0.218223 0.210643 0.499576 Sc\n0.718223 0.289357 0.999576 Sc\n0.281778 0.710643 0.499576 Sc\n0.782001 0.960503 0.669325 Sc\n0.218000 0.039497 0.169325 Sc\n0.282000 0.539496 0.169325 Sc\n0.851794 0.760358 0.278597 Cu\n0.344919 0.009661 0.890742 Cu\n0.655082 0.990339 0.390742 Cu\n0.155082 0.509661 0.890742 Cu\n0.844919 0.490339 0.390742 Cu\n0.351794 0.739641 0.778597 Cu\n0.648208 0.260359 0.278597 Cu\n0.148207 0.239641 0.778597 Cu\n0.784073 0.669024 0.135815 O\n0.215928 0.330976 0.635815 O\n0.272707 0.918835 0.033612 O\n0.287341 0.681923 0.934842 O\n0.727294 0.081164 0.533612 O\n0.227293 0.418835 0.033612 O\n0.772708 0.581164 0.533612 O\n0.717376 0.932464 0.234860 O\n0.282625 0.067536 0.734860 O\n0.782626 0.432464 0.234860 O\n0.284072 0.830975 0.635815 O\n0.217376 0.567536 0.734860 O\n0.790673 0.375257 0.834630 O\n0.290672 0.124743 0.334630 O\n0.709329 0.875257 0.834630 O\n0.787341 0.818076 0.434842 O\n0.212660 0.181923 0.934842 O\n0.712660 0.318077 0.434842 O\n0.209329 0.624743 0.334630 O\n0.715929 0.169024 0.135815 O\n",
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{
"id": "jvasp-21102",
"created_at": "2022-09-04T14:37:30.110364Z",
"updated_at": "2022-09-04T14:37:30.110389Z",
"structure_string": "Na20 Si4 P12\n1.0\n0.000000 7.945762 0.021315\n7.305787 0.000000 0.000000\n0.000000 -7.807301 -13.107448\nNa Si P\n20 4 12\ndirect\n0.556760 0.505986 0.741814 Na\n0.159032 0.163330 0.081018 Na\n0.840969 0.663330 0.418982 Na\n0.159032 0.336670 0.581018 Na\n0.835856 0.345800 0.258501 Na\n0.164144 0.845800 0.241500 Na\n0.164144 0.654200 0.741500 Na\n0.835856 0.154200 0.758501 Na\n0.252760 0.970668 0.917460 Na\n0.747240 0.470668 0.582540 Na\n0.840969 0.836670 0.918982 Na\n0.252760 0.529333 0.417460 Na\n0.916698 0.516143 0.088665 Na\n0.083302 0.016143 0.411336 Na\n0.083302 0.483857 0.911336 Na\n0.916698 0.983857 0.588665 Na\n0.556760 0.994015 0.241814 Na\n0.747240 0.029333 0.082540 Na\n0.443241 0.494014 0.258187 Na\n0.443241 0.005986 0.758187 Na\n0.487692 0.360701 0.915795 Si\n0.512308 0.860701 0.584205 Si\n0.512308 0.639300 0.084205 Si\n0.487692 0.139299 0.415795 Si\n0.520217 0.682442 0.934631 P\n0.240204 0.741489 0.579803 P\n0.759797 0.241489 0.920198 P\n0.759797 0.258511 0.420198 P\n0.240204 0.758512 0.079803 P\n0.801664 0.769019 0.722785 P\n0.198336 0.269019 0.777216 P\n0.198336 0.230981 0.277216 P\n0.801664 0.730982 0.222785 P\n0.479783 0.317558 0.065370 P\n0.520217 0.817558 0.434630 P\n0.479784 0.182442 0.565370 P\n",
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{
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"created_at": "2022-09-04T14:37:10.335290Z",
"updated_at": "2022-09-04T14:37:10.335323Z",
"structure_string": "Mo12 Cl24\n1.0\n8.958493 0.074695 0.000000\n-1.894689 8.756159 -0.000000\n-0.000000 -0.000000 11.325229\nMo Cl\n12 24\ndirect\n0.633465 0.366534 0.500000 Mo\n0.435196 0.435196 0.350210 Mo\n0.133465 0.866535 0.000000 Mo\n0.849956 0.849956 0.935441 Mo\n0.064803 0.064803 0.850210 Mo\n0.564803 0.564803 0.649790 Mo\n0.366534 0.633465 0.500000 Mo\n0.935196 0.935196 0.149790 Mo\n0.150043 0.150044 0.064559 Mo\n0.650043 0.650043 0.435441 Mo\n0.349956 0.349956 0.564559 Mo\n0.866534 0.133465 0.000000 Mo\n0.831620 0.578138 0.581687 Cl\n0.142333 0.142333 0.642567 Cl\n0.804903 0.195096 0.500000 Cl\n0.921861 0.668379 0.081687 Cl\n0.304903 0.695097 0.000000 Cl\n0.791976 0.044327 0.795395 Cl\n0.544327 0.291976 0.704605 Cl\n0.578138 0.831621 0.581687 Cl\n0.668379 0.921861 0.081687 Cl\n0.421861 0.168379 0.418313 Cl\n0.708023 0.455673 0.295395 Cl\n0.331621 0.078138 0.918313 Cl\n0.195096 0.804903 0.500000 Cl\n0.642333 0.642333 0.857433 Cl\n0.695096 0.304903 0.000000 Cl\n0.044327 0.791976 0.795395 Cl\n0.291976 0.544327 0.704605 Cl\n0.955672 0.208023 0.204605 Cl\n0.357667 0.357667 0.142567 Cl\n0.078138 0.331621 0.918313 Cl\n0.168379 0.421862 0.418313 Cl\n0.208024 0.955673 0.204605 Cl\n0.857666 0.857666 0.357433 Cl\n0.455673 0.708024 0.295395 Cl\n",
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{
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"structure_string": "Ge4 Cl4 O8 F20\n1.0\n7.481837 -0.000000 -0.000000\n-3.740918 7.406229 0.000000\n-0.000000 0.000000 8.927574\nGe Cl O F\n4 4 8 20\ndirect\n0.770158 0.768879 0.184290 Ge\n0.229843 0.231121 0.684290 Ge\n0.001279 0.231121 0.315709 Ge\n-0.001280 0.768879 0.815709 Ge\n0.611496 0.222992 0.000000 Cl\n0.724457 0.448914 0.500000 Cl\n0.388504 0.777008 0.500000 Cl\n0.275543 0.551086 0.000000 Cl\n0.654504 0.125854 0.886480 O\n0.393152 0.649173 0.876025 O\n0.256022 0.649173 0.123974 O\n0.743979 0.350828 0.623974 O\n0.606848 0.350828 0.376025 O\n0.471350 0.125854 0.113520 O\n0.528650 0.874146 0.613520 O\n0.345496 0.874146 0.386480 O\n0.977887 0.000000 0.250000 F\n0.080273 0.720854 0.633809 F\n0.359419 0.279146 0.866190 F\n0.919728 0.279146 0.133810 F\n0.072216 0.323857 0.749064 F\n0.635782 0.884341 0.118708 F\n0.364219 0.115659 0.618708 F\n0.920056 0.840111 0.000000 F\n0.595297 0.557355 0.097782 F\n0.962058 0.557355 0.902218 F\n0.751440 0.115659 0.381292 F\n0.037942 0.442645 0.402218 F\n0.404703 0.442645 0.597782 F\n0.248560 0.884341 0.881291 F\n0.748359 0.676143 0.750936 F\n0.022113 0.000000 0.750000 F\n0.927784 0.676143 0.249064 F\n0.251641 0.323857 0.250936 F\n0.640581 0.720854 0.366190 F\n0.079944 0.159889 0.500000 F\n",
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{
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"created_at": "2022-09-04T14:37:51.209007Z",
"updated_at": "2022-09-04T14:37:51.209024Z",
"structure_string": "Cd12 I24\n1.0\n4.287218 -0.000000 0.000000\n-2.143610 3.712840 0.000000\n0.000000 -0.000000 82.519090\nCd I\n12 24\ndirect\n0.333333 0.666667 0.687505 Cd\n0.333333 0.666667 0.520842 Cd\n0.333333 0.666667 0.437496 Cd\n0.333333 0.666667 0.937483 Cd\n0.333333 0.666667 0.854189 Cd\n0.333333 0.666667 0.104173 Cd\n0.333333 0.666667 0.187503 Cd\n0.333333 0.666667 0.604163 Cd\n0.333333 0.666667 0.270824 Cd\n0.666667 0.333333 0.770835 Cd\n0.666667 0.333333 0.020851 Cd\n0.333333 0.666667 0.354177 Cd\n0.000000 0.000000 0.916472 I\n0.666667 0.333333 0.541849 I\n0.000000 0.000000 0.749816 I\n0.666667 0.333333 0.291832 I\n0.000000 0.000000 0.333167 I\n0.666667 0.333333 0.958488 I\n0.000000 0.000000 0.083154 I\n0.000000 0.000000 0.499831 I\n0.333333 0.666667 0.041850 I\n0.000000 0.000000 0.833169 I\n0.666667 0.333333 0.875189 I\n0.666667 0.333333 0.125173 I\n0.666667 0.333333 0.625168 I\n0.000000 0.000000 0.666492 I\n0.000000 0.000000 0.583150 I\n0.000000 0.000000 0.249815 I\n0.666667 0.333333 0.375184 I\n0.000000 0.000000 0.416485 I\n0.666667 0.333333 0.458502 I\n0.333333 0.666667 0.791833 I\n0.666667 0.333333 0.708508 I\n0.000000 0.000000 0.166492 I\n0.666667 0.333333 0.208509 I\n0.000000 0.000000 0.999831 I\n",
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"volume": 1313.5186144604065,
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{
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