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{
"id": "jvasp-22127",
"created_at": "2022-09-04T14:38:17.813422Z",
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"structure_string": "Na1 Zr2 Zn1 F11\n1.0\n5.325843 0.013108 2.019990\n1.014824 5.228280 2.019990\n0.001701 0.001406 7.829418\nNa Zr Zn F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.506284 0.506286 0.764143 Zr\n0.493714 0.493716 0.235858 Zr\n-0.000000 0.000000 0.500000 Zn\n0.813829 0.222529 0.687457 F\n0.777471 0.186171 0.312543 F\n0.186170 0.777472 0.312543 F\n0.222527 0.813830 0.687457 F\n0.499999 0.500001 0.500000 F\n0.328040 0.671960 0.000000 F\n0.671959 0.328041 0.000000 F\n0.246249 0.246249 0.347865 F\n0.753750 0.753752 0.652135 F\n0.266767 0.266769 0.891484 F\n0.733231 0.733233 0.108516 F\n",
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{
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"structure_string": "Ca4 Fe2 Cl2 O6\n1.0\n3.796300 -0.000000 0.000000\n-0.000000 3.796300 0.000000\n-0.000000 0.000000 13.829199\nCa Fe Cl O\n4 2 2 6\ndirect\n0.000000 0.000000 0.661204 Ca\n0.000000 0.000000 0.906736 Ca\n0.500000 0.500000 0.093273 Ca\n0.500000 0.500000 0.338795 Ca\n0.000000 0.000000 0.208485 Fe\n0.500000 0.500000 0.791520 Fe\n0.000000 0.000000 0.422946 Cl\n0.500000 0.500000 0.577031 Cl\n0.500000 0.000000 0.229663 O\n0.500000 0.500000 0.931219 O\n0.000000 0.000000 0.068784 O\n0.500000 0.000000 0.770333 O\n0.000000 0.500000 0.229663 O\n0.000000 0.500000 0.770333 O\n",
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{
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"structure_string": "Li2 Co2 Si4 O12\n1.0\n6.357326 -0.005572 -0.017530\n-0.718914 6.316549 0.017530\n-1.383235 1.235823 4.939165\nLi Co Si O\n2 2 4 12\ndirect\n0.259541 0.259541 0.250000 Li\n0.740460 0.740459 0.750001 Li\n0.084397 0.084397 0.750001 Co\n0.915603 0.915602 0.250000 Co\n0.204834 0.606686 0.754269 Si\n0.393314 0.795166 0.254268 Si\n0.606687 0.204834 0.745733 Si\n0.795166 0.393313 0.245732 Si\n0.803086 0.024398 0.860045 O\n0.638867 0.358842 0.454600 O\n0.637313 0.902794 0.324273 O\n0.641158 0.361133 0.954601 O\n0.358842 0.638867 0.045400 O\n0.097206 0.362688 0.824274 O\n0.361134 0.641158 0.545401 O\n0.196915 0.975602 0.139956 O\n0.902794 0.637312 0.175727 O\n0.024399 0.803085 0.639957 O\n0.362688 0.097206 0.675728 O\n0.975602 0.196915 0.360044 O\n",
"nsites": 20,
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{
"id": "jvasp-46771",
"created_at": "2022-09-04T14:38:02.460946Z",
"updated_at": "2022-09-04T14:38:02.460968Z",
"structure_string": "Li4 Mn8 O4 F12\n1.0\n5.176028 0.000000 0.000000\n-0.000000 6.285551 0.000000\n0.000000 0.000000 10.598281\nLi Mn O F\n4 8 4 12\ndirect\n0.520511 0.750000 0.089317 Li\n0.020511 0.250000 0.410683 Li\n0.979489 0.750000 0.589317 Li\n0.479489 0.250000 0.910683 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.507735 0.250000 0.239091 Mn\n0.007735 0.750000 0.260909 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.992266 0.250000 0.739091 Mn\n0.492265 0.750000 0.760909 Mn\n0.837362 0.250000 0.915743 O\n0.337362 0.750000 0.584256 O\n0.662639 0.250000 0.415743 O\n0.162639 0.750000 0.084257 O\n0.294806 0.250000 0.069888 F\n0.711481 0.523455 0.168243 F\n0.711481 0.976544 0.168243 F\n0.211481 0.023455 0.331757 F\n0.211481 0.476544 0.331757 F\n0.794806 0.750000 0.430112 F\n0.205194 0.250000 0.569888 F\n0.788520 0.976544 0.668243 F\n0.788520 0.523455 0.668243 F\n0.288519 0.476544 0.831757 F\n0.288519 0.023455 0.831757 F\n0.705194 0.750000 0.930112 F\n",
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{
"id": "jvasp-88093",
"created_at": "2022-09-04T14:35:59.484172Z",
"updated_at": "2022-09-04T14:35:59.484206Z",
"structure_string": "Ba3 Ca3 C6 O18\n1.0\n8.747254 0.000000 -0.000000\n-4.373627 7.575344 0.000000\n-0.000000 0.000000 6.115398\nBa Ca C O\n3 3 6 18\ndirect\n-0.000000 0.687587 0.000000 Ba\n0.687587 -0.000000 0.000000 Ba\n0.312413 0.312413 0.000000 Ba\n0.361171 -0.000000 0.500000 Ca\n0.638828 0.638828 0.500000 Ca\n-0.000000 0.361171 0.500000 Ca\n0.333332 0.666667 0.356608 C\n0.333332 0.666667 0.818229 C\n0.666667 0.333333 0.181771 C\n0.000000 0.000000 0.266671 C\n0.666667 0.333333 0.643392 C\n0.000000 0.000000 0.733329 C\n0.653992 0.475148 0.179216 O\n0.513600 0.323558 0.639228 O\n0.145647 0.995203 0.740008 O\n0.178845 0.524852 0.820784 O\n0.346007 0.821154 0.820784 O\n0.676442 0.190042 0.639228 O\n0.323557 0.513600 0.360772 O\n0.854351 0.849556 0.259992 O\n0.821154 0.346007 0.179216 O\n0.809957 0.486399 0.639228 O\n0.150443 0.004796 0.259992 O\n0.849556 0.854352 0.740008 O\n0.190042 0.676442 0.360772 O\n0.524852 0.178846 0.179216 O\n0.995203 0.145648 0.259992 O\n0.004796 0.150443 0.740008 O\n0.475147 0.653993 0.820784 O\n0.486399 0.809957 0.360772 O\n",
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{
"id": "jvasp-54819",
"created_at": "2022-09-04T14:37:29.772866Z",
"updated_at": "2022-09-04T14:37:29.772889Z",
"structure_string": "Sr2 Li6 Mn2 N6\n1.0\n5.328629 -0.000033 4.801361\n2.136658 4.881493 4.801361\n-0.000051 -0.000033 7.172681\nSr Li Mn N\n2 6 2 6\ndirect\n0.662684 0.662684 0.662683 Sr\n0.337317 0.337317 0.337316 Sr\n0.105563 0.523918 0.763394 Li\n0.763394 0.105563 0.523917 Li\n0.476082 0.236606 0.894437 Li\n0.523919 0.763394 0.105562 Li\n0.236606 0.894437 0.476081 Li\n0.894438 0.476082 0.236605 Li\n0.932557 0.932557 0.932555 Mn\n0.067444 0.067444 0.067444 Mn\n0.794626 0.382246 0.094884 N\n0.905116 0.205375 0.617753 N\n0.205375 0.617754 0.905115 N\n0.617755 0.905115 0.205374 N\n0.094885 0.794625 0.382245 N\n0.382246 0.094885 0.794625 N\n",
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{
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"created_at": "2022-09-04T14:36:41.438429Z",
"updated_at": "2022-09-04T14:36:41.438445Z",
"structure_string": "Hf1 H6 C5 O4\n1.0\n3.985767 -0.013379 -0.478762\n-2.057272 4.186348 -0.387770\n-0.006620 0.087738 8.401581\nHf H C O\n1 6 5 4\ndirect\n0.027112 0.201350 0.288592 Hf\n0.441655 0.114066 0.019938 H\n0.846407 0.641981 0.954125 H\n0.596592 0.323819 0.594892 H\n0.816873 0.733960 0.678341 H\n0.339177 0.460780 0.762066 H\n0.898674 0.193727 0.800454 H\n0.041678 0.604429 0.486153 C\n0.869806 0.530615 0.638199 C\n0.268744 0.571330 0.092859 C\n0.067196 0.440077 0.782103 C\n0.122742 0.661004 0.937230 C\n0.548971 0.258680 0.273755 O\n0.064097 0.868130 0.443080 O\n0.359002 0.980903 0.913174 O\n0.601441 0.771858 0.152311 O\n",
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{
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"created_at": "2022-09-04T14:37:58.368884Z",
"updated_at": "2022-09-04T14:37:58.368906Z",
"structure_string": "Zn8 Se4 Cl8 O12\n1.0\n7.652469 0.089822 0.000000\n-1.243772 7.530512 0.000000\n0.000000 0.000000 10.343143\nZn Se Cl O\n8 4 8 12\ndirect\n0.886338 0.234909 0.987908 Zn\n0.879101 0.923337 0.723909 Zn\n0.613662 0.765090 0.487908 Zn\n0.620900 0.076662 0.223909 Zn\n0.113662 0.765090 0.012092 Zn\n0.120900 0.076662 0.276091 Zn\n0.379101 0.923337 0.776091 Zn\n0.386338 0.234909 0.512092 Zn\n0.312705 0.190587 0.032371 Se\n0.812705 0.190587 0.467629 Se\n0.187295 0.809412 0.532371 Se\n0.687295 0.809412 0.967629 Se\n0.271445 0.590070 0.904656 Cl\n0.035928 0.765821 0.221408 Cl\n0.228555 0.409929 0.404656 Cl\n0.535928 0.765821 0.278592 Cl\n0.728555 0.409929 0.095344 Cl\n0.771445 0.590070 0.595344 Cl\n0.964072 0.234179 0.778592 Cl\n0.464072 0.234179 0.721408 Cl\n0.282214 0.984999 0.953159 O\n0.874326 0.122754 0.315894 O\n0.900106 0.804390 0.910593 O\n0.717786 0.015000 0.046841 O\n0.400106 0.804390 0.589407 O\n0.217786 0.015000 0.453159 O\n0.782214 0.984999 0.546841 O\n0.125674 0.877246 0.684106 O\n0.599894 0.195610 0.410593 O\n0.625674 0.877246 0.815893 O\n0.099894 0.195610 0.089407 O\n0.374326 0.122754 0.184106 O\n",
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{
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"structure_string": "Ca4 Mg4 Ge4 O16\n1.0\n5.047885 0.000000 0.000000\n-0.000000 6.412992 0.000000\n0.000000 0.000000 11.283321\nCa Mg Ge O\n4 4 4 16\ndirect\n0.511373 0.250000 0.774549 Ca\n0.988629 0.250000 0.274549 Ca\n0.488628 0.750000 0.225450 Ca\n0.011372 0.750000 0.725450 Ca\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.923022 0.750000 0.419407 Ge\n0.576980 0.750000 0.919407 Ge\n0.423021 0.250000 0.080593 Ge\n0.076979 0.250000 0.580593 Ge\n0.737153 0.969764 0.851903 O\n0.772190 0.250000 0.079463 O\n0.272189 0.750000 0.420537 O\n0.737153 0.530235 0.851903 O\n0.262848 0.030235 0.148097 O\n0.742627 0.750000 0.558331 O\n0.227811 0.750000 0.920537 O\n0.762848 0.530235 0.351903 O\n0.727812 0.250000 0.579463 O\n0.237153 0.469764 0.648097 O\n0.237153 0.030235 0.648097 O\n0.757374 0.750000 0.058331 O\n0.242627 0.250000 0.941669 O\n0.262848 0.469764 0.148097 O\n0.762848 0.969764 0.351903 O\n0.257374 0.250000 0.441669 O\n",
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{
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"created_at": "2022-09-04T14:37:03.705622Z",
"updated_at": "2022-09-04T14:37:03.705638Z",
"structure_string": "Li4 Cu2 F8\n1.0\n5.127245 0.015439 0.000000\n-1.946169 4.743553 0.000000\n0.000000 -0.000000 5.724199\nLi Cu F\n4 2 8\ndirect\n0.000017 0.500017 0.250000 Li\n0.499982 0.999983 0.750000 Li\n0.500016 0.000017 0.250000 Li\n0.999982 0.499983 0.750000 Li\n0.000000 0.000000 0.000000 Cu\n0.499999 0.500000 0.500000 Cu\n0.234492 0.765507 0.000000 F\n0.265507 0.734492 0.500000 F\n0.249872 0.249872 0.750194 F\n0.250128 0.250128 0.250194 F\n0.749871 0.749872 0.749806 F\n0.750127 0.750128 0.249806 F\n0.734492 0.265508 0.500000 F\n0.765507 0.234492 0.000000 F\n",
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{
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{
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"created_at": "2022-09-04T14:36:03.765700Z",
"updated_at": "2022-09-04T14:36:03.765727Z",
"structure_string": "Cu4 O2 F4\n1.0\n0.000000 5.717481 0.000000\n5.717481 0.000000 0.000000\n2.858741 2.858741 -5.033606\nCu O F\n4 2 4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n-0.000000 -0.000000 0.500000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.874999 0.125000 0.750001 O\n0.125000 0.875000 0.250000 O\n0.382008 0.132008 0.735985 F\n0.132008 0.382008 0.235984 F\n0.867991 0.617991 0.764017 F\n0.617992 0.867992 0.264016 F\n",
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]
}