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{
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{
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"structure_string": "Nd16 O24\n1.0\n9.116428 -0.000000 -3.223143\n-4.558214 7.895058 -3.223143\n-0.000000 -0.000000 9.669431\nNd O\n16 24\ndirect\n0.500000 0.500000 0.500000 Nd\n0.250000 0.719541 0.469542 Nd\n0.030459 0.750000 0.780459 Nd\n0.780459 0.030459 0.750000 Nd\n0.469542 0.250000 0.719542 Nd\n0.719542 0.469541 0.250001 Nd\n0.750000 0.280459 0.530459 Nd\n0.750001 0.780459 0.030459 Nd\n0.219542 0.969542 0.250001 Nd\n0.530459 0.750000 0.280459 Nd\n0.280459 0.530459 0.750000 Nd\n0.250000 0.219541 0.969541 Nd\n0.000000 0.500000 0.000000 Nd\n0.500000 0.000000 0.000000 Nd\n0.969542 0.250000 0.219542 Nd\n0.000000 0.000000 0.500000 Nd\n0.959353 0.728716 0.987661 O\n0.540648 0.528308 0.769364 O\n0.241056 0.971692 0.512340 O\n0.730636 0.258944 0.771284 O\n0.028308 0.487661 0.758945 O\n0.987661 0.959352 0.728717 O\n0.228716 0.269364 0.741056 O\n0.271284 0.012340 0.040648 O\n0.230636 0.459352 0.471692 O\n0.459353 0.471692 0.230637 O\n0.758945 0.028308 0.487661 O\n0.269364 0.741056 0.228717 O\n0.040648 0.271284 0.012340 O\n0.258945 0.771284 0.730637 O\n0.487661 0.758945 0.028309 O\n0.012340 0.040648 0.271284 O\n0.471692 0.230636 0.459353 O\n0.971692 0.512340 0.241056 O\n0.771284 0.730636 0.258945 O\n0.728717 0.987661 0.959353 O\n0.769364 0.540648 0.528309 O\n0.528309 0.769364 0.540648 O\n0.741056 0.228716 0.269364 O\n0.512340 0.241056 0.971692 O\n",
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{
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"structure_string": "Ca4 Mg4 Si8 O24\n1.0\n9.772219 0.000000 -0.516764\n0.000000 8.296041 0.000000\n0.309195 0.000000 5.371853\nCa Mg Si O\n4 4 8 24\ndirect\n0.730051 0.445647 0.600516 Ca\n0.269950 0.945647 0.899484 Ca\n0.269950 0.554353 0.399484 Ca\n0.730051 0.054353 0.100516 Ca\n0.233840 0.333521 0.879080 Mg\n0.766161 0.833521 0.620920 Mg\n0.766160 0.666479 0.120920 Mg\n0.233840 0.166479 0.379080 Mg\n0.036805 0.847696 0.271090 Si\n0.963196 0.347696 0.228911 Si\n0.036805 0.652304 0.771089 Si\n0.963196 0.152304 0.728911 Si\n0.499742 0.669944 0.964188 Si\n0.499741 0.830056 0.464188 Si\n0.500259 0.330056 0.035812 Si\n0.500259 0.169944 0.535812 Si\n0.370452 0.310276 0.560996 O\n0.902159 0.271092 0.961225 O\n0.097842 0.771092 0.538775 O\n0.128574 0.352986 0.216545 O\n0.871426 0.852986 0.283456 O\n0.871426 0.647014 0.783455 O\n0.128575 0.147014 0.716545 O\n0.370452 0.189724 0.060996 O\n0.629549 0.689724 0.439005 O\n0.629549 0.810276 0.939004 O\n0.385876 0.490782 0.029005 O\n0.117975 0.010872 0.214943 O\n0.614124 0.509217 0.970995 O\n0.385876 0.009217 0.529005 O\n0.587494 0.273598 0.298382 O\n0.412507 0.773598 0.201619 O\n0.412507 0.726402 0.701619 O\n0.587494 0.226402 0.798381 O\n0.902158 0.228908 0.461225 O\n0.882026 0.510872 0.285058 O\n0.882026 0.989128 0.785057 O\n0.117975 0.489128 0.714942 O\n0.614124 0.990782 0.470995 O\n0.097842 0.728908 0.038775 O\n",
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{
"id": "jvasp-99125",
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"structure_string": "Mg12 Si4 O16 F8\n1.0\n4.746240 0.000000 0.000000\n-0.000000 8.774269 0.000000\n0.000000 0.000000 10.321135\nMg Si O F\n12 4 16 8\ndirect\n0.990029 0.430238 0.632824 Mg\n0.490029 0.569762 0.867175 Mg\n0.009971 0.569762 0.367175 Mg\n0.494743 0.750000 0.593224 Mg\n0.509971 0.430238 0.132825 Mg\n0.009971 0.930238 0.367175 Mg\n0.490029 0.930238 0.867175 Mg\n0.005257 0.750000 0.093225 Mg\n0.990029 0.069762 0.632824 Mg\n0.509971 0.069762 0.132825 Mg\n0.994743 0.250000 0.906775 Mg\n0.505257 0.250000 0.406775 Mg\n0.920956 0.750000 0.780306 Si\n0.579044 0.750000 0.280306 Si\n0.079044 0.250000 0.219693 Si\n0.420956 0.250000 0.719693 Si\n0.732443 0.602621 0.208498 O\n0.232443 0.397379 0.291501 O\n0.735730 0.250000 0.220971 O\n0.767557 0.602621 0.708497 O\n0.222851 0.250000 0.073601 O\n0.232443 0.102621 0.291501 O\n0.264270 0.750000 0.779029 O\n0.267557 0.397379 0.791502 O\n0.777149 0.750000 0.926399 O\n0.767557 0.897379 0.708497 O\n0.722851 0.750000 0.426399 O\n0.277149 0.250000 0.573601 O\n0.235730 0.750000 0.279029 O\n0.267557 0.102621 0.791502 O\n0.732443 0.897379 0.208498 O\n0.764270 0.250000 0.720971 O\n0.772624 0.084685 0.466803 F\n0.272624 0.915315 0.033197 F\n0.227376 0.584685 0.533197 F\n0.727376 0.084685 0.966802 F\n0.727376 0.415315 0.966802 F\n0.772624 0.415315 0.466803 F\n0.227376 0.915315 0.533197 F\n0.272624 0.584685 0.033197 F\n",
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{
"id": "jvasp-91300",
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"structure_string": "Fe28 C12\n1.0\n4.518973 0.000000 0.000000\n0.000000 6.840328 0.000000\n0.000000 0.000000 11.698786\nFe C\n28 12\ndirect\n0.204490 0.750000 0.698708 Fe\n0.725188 0.750000 0.588479 Fe\n0.225189 0.750000 0.911522 Fe\n0.080716 0.250000 0.627422 Fe\n0.580716 0.250000 0.872578 Fe\n0.919283 0.750000 0.372578 Fe\n0.419284 0.750000 0.127422 Fe\n0.438282 0.936102 0.308028 Fe\n0.774810 0.250000 0.088479 Fe\n0.938281 0.563898 0.191972 Fe\n0.061718 0.063898 0.808028 Fe\n0.750826 0.066192 0.484685 Fe\n0.250827 0.433808 0.015316 Fe\n0.249173 0.566192 0.515316 Fe\n0.749173 0.933808 0.984685 Fe\n0.249173 0.933808 0.515316 Fe\n0.749173 0.566192 0.984685 Fe\n0.561718 0.436102 0.691972 Fe\n0.274811 0.250000 0.411522 Fe\n0.250827 0.066192 0.015316 Fe\n0.704490 0.750000 0.801292 Fe\n0.795509 0.250000 0.301292 Fe\n0.295509 0.250000 0.198708 Fe\n0.561718 0.063898 0.691972 Fe\n0.061718 0.436102 0.808028 Fe\n0.438282 0.563898 0.308028 Fe\n0.938281 0.936102 0.191972 Fe\n0.750826 0.433808 0.484685 Fe\n0.531804 0.750000 0.438299 C\n0.968195 0.250000 0.938299 C\n0.468195 0.250000 0.561702 C\n0.542311 0.026393 0.146349 C\n0.042311 0.473607 0.353652 C\n0.957688 0.526393 0.646349 C\n0.957688 0.973608 0.646349 C\n0.457688 0.973608 0.853652 C\n0.542311 0.473607 0.146349 C\n0.042311 0.026393 0.353652 C\n0.457688 0.526393 0.853652 C\n0.031805 0.750000 0.061702 C\n",
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{
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"structure_string": "Sb12 O8 F20\n1.0\n5.895274 0.000000 0.000000\n0.000000 8.488548 -2.748442\n0.000000 0.019192 13.232797\nSb O F\n12 8 20\ndirect\n0.032138 0.250000 0.000000 Sb\n0.967861 0.750000 0.000000 Sb\n0.445368 0.118503 0.206606 Sb\n0.445368 0.381497 0.793394 Sb\n0.554631 0.881497 0.793394 Sb\n0.554631 0.618503 0.206607 Sb\n0.398265 0.250000 0.500000 Sb\n0.601734 0.750000 0.500000 Sb\n0.039335 0.416183 0.359878 Sb\n0.039335 0.083816 0.640122 Sb\n0.960664 0.583817 0.640123 Sb\n0.960664 0.916184 0.359878 Sb\n0.823177 0.928971 0.506175 O\n0.176823 0.428971 0.506175 O\n0.176823 0.071029 0.493825 O\n0.823177 0.571029 0.493825 O\n0.736282 0.787358 0.661643 O\n0.263718 0.287358 0.661643 O\n0.263718 0.212642 0.338357 O\n0.736282 0.712642 0.338357 O\n0.762928 0.434744 0.151434 F\n0.762928 0.065256 0.848566 F\n0.873427 0.726145 0.150997 F\n0.873427 0.773855 0.849003 F\n0.126572 0.273855 0.849003 F\n0.126572 0.226145 0.150997 F\n0.556342 0.975698 0.292112 F\n0.556342 0.524302 0.707888 F\n0.443657 0.024302 0.707888 F\n0.738185 0.578794 0.956897 F\n0.738185 0.921206 0.043103 F\n0.261814 0.421206 0.043103 F\n0.261814 0.078794 0.956897 F\n0.202209 0.754121 0.357353 F\n0.202209 0.745879 0.642648 F\n0.797791 0.245879 0.642648 F\n0.797791 0.254121 0.357353 F\n0.237071 0.934744 0.151434 F\n0.443657 0.475698 0.292112 F\n0.237071 0.565256 0.848566 F\n",
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{
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{
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"structure_string": "Er4 Te10 O26\n1.0\n6.912572 -0.019428 0.010383\n2.247174 8.314130 0.009521\n0.539385 0.014602 10.508749\nEr Te O\n4 10 26\ndirect\n0.553561 0.531001 0.180379 Er\n0.998915 0.736121 0.238310 Er\n0.446439 0.468999 0.819621 Er\n0.001085 0.263878 0.761689 Er\n0.127407 0.346487 0.105778 Te\n0.290786 0.882182 0.970498 Te\n0.434726 0.909370 0.304609 Te\n0.727281 0.605472 0.521075 Te\n0.841901 0.196784 0.366525 Te\n0.565274 0.090630 0.695391 Te\n0.709214 0.117817 0.029502 Te\n0.272719 0.394527 0.478925 Te\n0.158099 0.803216 0.633475 Te\n0.872593 0.653513 0.894222 Te\n0.761758 0.502779 0.813526 O\n0.468561 0.673505 -0.001532 O\n0.538552 0.810626 0.487473 O\n0.942699 0.179633 0.964031 O\n0.345875 0.991664 0.123841 O\n0.936181 0.981595 0.312368 O\n0.063819 0.018405 0.687632 O\n0.687846 0.262008 0.710697 O\n0.531438 0.326495 0.001532 O\n0.670081 0.777867 0.223206 O\n0.238242 0.497220 0.186474 O\n0.668216 0.259997 0.229122 O\n0.312155 0.737992 0.289302 O\n0.932490 0.732879 0.718057 O\n0.339731 0.511763 0.615118 O\n0.329919 0.222133 0.776794 O\n0.067511 0.267121 0.281943 O\n0.461448 0.189373 0.512527 O\n0.331784 0.740003 0.770878 O\n0.876747 0.511688 0.106837 O\n0.057301 0.820367 0.035969 O\n0.654125 0.008335 0.876159 O\n0.042039 0.350166 0.563759 O\n0.660270 0.488237 0.384882 O\n0.123253 0.488312 0.893163 O\n0.957962 0.649833 0.436240 O\n",
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