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"id": "jvasp-32228",
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"structure_string": "Ni1 Sn1 H12 O6 F6\n1.0\n6.462344 0.025650 -0.667381\n-0.742464 6.419602 -0.667382\n0.022764 0.025650 6.496673\nNi Sn H O F\n1 1 12 6 6\ndirect\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Sn\n0.309486 0.654932 0.808624 H\n0.690513 0.345068 0.191376 H\n0.191376 0.690513 0.345068 H\n0.345067 0.191375 0.690513 H\n0.808624 0.309487 0.654932 H\n0.678191 0.898795 0.549582 H\n0.450418 0.321809 0.101205 H\n0.101205 0.450418 0.321809 H\n0.321808 0.101205 0.450418 H\n0.549582 0.678191 0.898795 H\n0.898795 0.549582 0.678191 H\n0.654932 0.808624 0.309487 H\n0.442166 0.594609 0.798262 O\n0.557833 0.405391 0.201738 O\n0.405391 0.201738 0.557833 O\n0.594609 0.798262 0.442166 O\n0.201738 0.557833 0.405391 O\n0.798261 0.442166 0.594609 O\n0.851178 0.067022 0.733764 F\n0.067022 0.733764 0.851179 F\n0.733764 0.851179 0.067023 F\n0.148821 0.932977 0.266236 F\n0.932977 0.266236 0.148821 F\n0.266235 0.148821 0.932977 F\n",
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"structure_string": "K1 Mg6 Nb1\n1.0\n6.513631 0.000549 0.000000\n-3.256341 5.641245 0.000000\n0.000000 0.000000 5.107034\nK Mg Nb\n1 6 1\ndirect\n0.083335 0.416664 0.250000 K\n0.108133 0.929077 0.250000 Mg\n0.570922 0.391867 0.250000 Mg\n0.570995 0.929004 0.250000 Mg\n0.432519 0.591309 0.749999 Mg\n0.908690 0.067481 0.749999 Mg\n0.908722 0.591277 0.749999 Mg\n0.416682 0.083318 0.749999 Nb\n",
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"structure_string": "Na1 H12 Au1 C4 S4 O12\n1.0\n5.363119 -0.071134 0.058998\n1.760948 8.519566 0.002232\n2.515995 2.437089 8.873260\nNa H Au C S O\n1 12 1 4 4 12\ndirect\n0.000001 0.500000 0.500000 Na\n0.698780 0.834876 0.097340 H\n0.301221 0.165125 0.902660 H\n0.781741 0.948381 0.205302 H\n0.218260 0.051620 0.794698 H\n0.480155 0.009412 0.140539 H\n0.519846 0.990589 0.859461 H\n0.335366 0.518567 0.854427 H\n0.664635 0.481434 0.145573 H\n0.349299 0.708922 0.887315 H\n0.650702 0.291079 0.112685 H\n0.444530 0.687470 0.696287 H\n0.555471 0.312531 0.303713 H\n0.000000 0.000000 0.500000 Au\n0.685498 0.349032 0.191964 C\n0.314503 0.650969 0.808036 C\n0.622073 0.907292 0.179450 C\n0.377928 0.092709 0.820550 C\n0.989251 0.711122 0.789986 S\n0.010750 0.288879 0.210014 S\n0.459718 0.777805 0.347781 S\n0.540283 0.222196 0.652219 S\n0.650492 0.652805 0.408102 O\n0.061341 0.360596 0.316244 O\n0.938660 0.639405 0.683756 O\n0.182593 0.315707 0.061366 O\n0.817408 0.684294 0.938634 O\n0.366563 0.885478 0.460977 O\n0.239401 0.726319 0.321112 O\n0.633438 0.114523 0.539023 O\n0.029208 0.099538 0.275828 O\n0.970793 0.900463 0.724172 O\n0.760600 0.273682 0.678888 O\n0.349509 0.347196 0.591898 O\n",
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"structure_string": "C1 Cl1 F2\n1.0\n3.624636 0.000000 0.000000\n0.000000 3.624636 0.000000\n0.000000 -0.000000 4.393641\nC Cl F\n1 1 2\ndirect\n0.500001 0.500001 0.353244 C\n0.000000 0.000000 0.260784 Cl\n0.000000 0.000000 0.760956 F\n0.500001 0.500001 0.635014 F\n",
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{
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"structure_string": "K6 Al6 B6 O21\n1.0\n8.601791 -0.000000 0.000000\n-4.300895 7.449369 -0.000000\n0.000000 -0.000000 8.403165\nK Al B O\n6 6 6 21\ndirect\n0.353923 0.000000 0.500000 K\n-0.000000 0.315251 0.000000 K\n0.315251 0.000000 0.000000 K\n0.646076 0.646077 0.500000 K\n0.684748 0.684749 0.000000 K\n-0.000000 0.353923 0.500000 K\n0.000000 0.000000 0.704846 Al\n0.666667 0.333333 0.225009 Al\n0.333333 0.666667 0.774990 Al\n0.000000 0.000000 0.295154 Al\n0.333333 0.666667 0.186564 Al\n0.666667 0.333333 0.813435 Al\n0.664822 0.998898 0.742084 B\n0.665925 0.001102 0.257916 B\n0.998898 0.664823 0.257916 B\n0.334075 0.335177 0.742084 B\n0.335177 0.334075 0.257916 B\n0.001101 0.665925 0.742084 B\n0.483119 0.884845 0.256475 O\n0.000000 0.000000 0.500000 O\n0.666667 0.333333 0.019228 O\n0.550710 0.820530 0.704225 O\n0.783866 0.940981 0.222482 O\n0.059019 0.842886 0.222482 O\n0.516880 0.401725 0.743525 O\n0.940980 0.783867 0.777517 O\n0.179469 0.730181 0.704225 O\n0.269819 0.449289 0.704225 O\n0.115155 0.598275 0.256475 O\n0.333333 0.666667 0.980771 O\n0.401725 0.516881 0.256475 O\n0.884844 0.483119 0.743525 O\n0.216133 0.157114 0.777517 O\n0.449289 0.269819 0.295775 O\n0.157114 0.216133 0.222482 O\n0.842886 0.059019 0.777517 O\n0.730180 0.179470 0.295775 O\n0.820530 0.550711 0.295775 O\n0.598275 0.115155 0.743525 O\n",
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"structure_string": "Ca1 Si2\n1.0\n1.954205 -3.384783 -0.000000\n1.954205 3.384783 -0.000000\n-0.000000 0.000000 4.912805\nCa Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666666 0.589538 Si\n0.666666 0.333332 0.410461 Si\n",
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{
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"structure_string": "K2 Al1 In1 Cl6\n1.0\n6.450442 -0.000000 3.724164\n2.150147 6.081535 3.724164\n-0.000000 -0.000000 7.448329\nK Al In Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.778346 0.221654 0.221654 Cl\n0.221655 0.221654 0.778346 Cl\n0.221655 0.778345 0.778345 Cl\n0.221655 0.778345 0.221654 Cl\n0.778346 0.221654 0.778345 Cl\n0.778346 0.778345 0.221654 Cl\n",
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]
}