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{
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{
"id": "jvasp-20866",
"created_at": "2022-09-04T14:37:19.392576Z",
"updated_at": "2022-09-04T14:37:19.392644Z",
"structure_string": "Be12 Si6 O24\n1.0\n7.386635 0.001189 -2.399388\n-3.302516 6.607251 -2.399388\n0.000735 0.001189 7.766559\nBe Si O\n12 6 24\ndirect\n0.127330 0.897993 0.721512 Be\n0.794228 0.568751 0.390139 Be\n0.568751 0.390140 0.794228 Be\n0.390139 0.794228 0.568751 Be\n0.431249 0.609860 0.205772 Be\n0.609860 0.205772 0.431249 Be\n0.205772 0.431249 0.609860 Be\n0.102006 0.278487 0.872669 Be\n0.872670 0.102007 0.278487 Be\n0.721513 0.127331 0.897993 Be\n0.897993 0.721513 0.127330 Be\n0.278487 0.872669 0.102006 Be\n0.461641 0.233994 0.054570 Si\n0.538358 0.766006 0.945430 Si\n0.054569 0.461641 0.233994 Si\n0.233994 0.054570 0.461641 Si\n0.766005 0.945430 0.538358 Si\n0.945430 0.538359 0.766006 Si\n0.959541 0.662440 0.628684 O\n0.706340 0.375468 0.671113 O\n0.671113 0.706341 0.375467 O\n0.375467 0.671113 0.706340 O\n0.293659 0.624532 0.328887 O\n0.294448 0.996400 0.962486 O\n0.996400 0.962486 0.294449 O\n0.962486 0.294450 0.996400 O\n0.705551 0.003600 0.037514 O\n0.003600 0.037514 0.705551 O\n0.037513 0.705550 0.003600 O\n0.583679 0.250537 0.916037 O\n0.250536 0.916037 0.583679 O\n0.916038 0.583679 0.250536 O\n0.416321 0.749463 0.083962 O\n0.749464 0.083963 0.416321 O\n0.083962 0.416321 0.749463 O\n0.337561 0.371316 0.040459 O\n0.371316 0.040459 0.337561 O\n0.040459 0.337561 0.371315 O\n0.328887 0.293660 0.624532 O\n0.628684 0.959541 0.662439 O\n0.624532 0.328887 0.293659 O\n0.662439 0.628685 0.959541 O\n",
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{
"id": "jvasp-21040",
"created_at": "2022-09-04T14:38:20.354923Z",
"updated_at": "2022-09-04T14:38:20.354942Z",
"structure_string": "Li12 Se6 O24\n1.0\n8.256008 -0.002882 -2.649208\n-3.631549 7.414414 -2.649208\n-0.001798 -0.002882 8.670639\nLi Se O\n12 6 24\ndirect\n0.064717 0.296430 0.892395 Li\n0.377191 0.776602 0.602509 Li\n0.776602 0.602510 0.377191 Li\n0.602510 0.377191 0.776602 Li\n0.223398 0.397490 0.622809 Li\n0.397490 0.622809 0.223398 Li\n0.622809 0.223398 0.397490 Li\n0.107605 0.935282 0.703570 Li\n0.935282 0.703570 0.107605 Li\n0.296429 0.892394 0.064717 Li\n0.892395 0.064718 0.296430 Li\n0.703570 0.107606 0.935282 Li\n0.734803 0.962666 0.551965 Se\n0.265196 0.037334 0.448034 Se\n0.448034 0.265196 0.037333 Se\n0.037333 0.448034 0.265196 Se\n0.962666 0.551966 0.734803 Se\n0.551965 0.734803 0.962666 Se\n0.862023 0.853519 0.534861 O\n0.472861 0.522508 0.810547 O\n0.189453 0.527138 0.477491 O\n0.527138 0.477492 0.189453 O\n0.477492 0.189453 0.527138 O\n0.522508 0.810547 0.472861 O\n0.231709 0.186237 0.894586 O\n0.186236 0.894586 0.231709 O\n0.105414 0.768291 0.813763 O\n0.768291 0.813763 0.105413 O\n0.813763 0.105414 0.768291 O\n0.922920 0.570531 0.252365 O\n0.570531 0.252366 0.922920 O\n0.894586 0.231709 0.186236 O\n0.077080 0.429469 0.747634 O\n0.429469 0.747634 0.077079 O\n0.747634 0.077080 0.429469 O\n0.146480 0.465139 0.137977 O\n0.465139 0.137977 0.146480 O\n0.252365 0.922920 0.570531 O\n0.810547 0.472862 0.522508 O\n0.534861 0.862023 0.853519 O\n0.137977 0.146480 0.465139 O\n0.853520 0.534861 0.862023 O\n",
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{
"id": "jvasp-112244",
"created_at": "2022-09-04T14:38:47.317001Z",
"updated_at": "2022-09-04T14:38:47.317029Z",
"structure_string": "H20 C18 O4\n1.0\n6.889520 0.090673 -3.052785\n-2.449852 6.416966 -3.334143\n-0.022193 -0.062431 8.017674\nH C O\n20 18 4\ndirect\n0.658670 0.626243 0.746985 H\n0.417735 0.777181 0.839172 H\n0.582266 0.222820 0.160827 H\n0.233190 0.603590 0.557323 H\n0.766810 0.396410 0.442676 H\n0.941245 0.753276 0.831043 H\n0.049279 0.831671 0.699504 H\n0.950722 0.168329 0.300496 H\n0.126025 0.905649 0.194278 H\n0.873976 0.094351 0.805722 H\n0.058756 0.246724 0.168957 H\n0.634751 0.882812 0.654594 H\n0.365250 0.117188 0.345406 H\n0.848683 0.385505 0.781745 H\n0.151318 0.614495 0.218255 H\n0.339159 0.021916 0.742232 H\n0.341331 0.373757 0.253015 H\n0.152953 0.265450 0.711659 H\n0.847048 0.734550 0.288341 H\n0.660841 0.978084 0.257768 H\n0.303235 0.289295 0.721978 C\n0.296733 0.621786 0.717374 C\n0.703268 0.378214 0.282626 C\n0.080051 0.789216 0.820879 C\n0.919950 0.210784 0.179121 C\n0.276460 0.955875 0.207234 C\n0.723540 0.044125 0.792766 C\n0.696766 0.710706 0.278021 C\n0.591130 0.846934 0.259710 C\n0.393467 0.461015 0.724669 C\n0.393666 0.813431 0.235741 C\n0.606335 0.186570 0.764258 C\n0.305763 0.644007 0.237788 C\n0.694238 0.355993 0.762212 C\n0.411872 0.509492 0.258186 C\n0.588129 0.490508 0.741814 C\n0.606533 0.538986 0.275331 C\n0.408870 0.153067 0.740290 C\n0.759981 0.032514 0.979669 O\n0.868862 0.393916 0.237535 O\n0.131138 0.606084 0.762465 O\n0.240019 0.967486 0.020331 O\n",
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{
"id": "jvasp-21010",
"created_at": "2022-09-04T14:38:14.928256Z",
"updated_at": "2022-09-04T14:38:14.928269Z",
"structure_string": "Li12 Be6 F24\n1.0\n7.864062 0.001298 -2.519110\n-3.452506 7.065669 -2.519108\n0.000811 0.001297 8.257687\nLi Be F\n12 6 24\ndirect\n0.275620 0.102056 0.877010 Li\n0.102055 0.877010 0.275620 Li\n0.877009 0.275620 0.102056 Li\n0.724380 0.897945 0.122990 Li\n0.897944 0.122991 0.724381 Li\n0.122990 0.724381 0.897945 Li\n0.611999 0.438875 0.203643 Li\n0.438874 0.203643 0.612000 Li\n0.203642 0.612000 0.438875 Li\n0.388000 0.561126 0.796358 Li\n0.561125 0.796358 0.388000 Li\n0.796357 0.388001 0.561126 Li\n0.461694 0.053450 0.234010 Be\n0.234009 0.461694 0.053449 Be\n0.053449 0.234010 0.461694 Be\n0.538306 0.946551 0.765990 Be\n0.765990 0.538307 0.946551 Be\n0.946550 0.765991 0.538306 Be\n0.036188 0.362988 0.356717 F\n0.643283 0.963813 0.637012 F\n0.637012 0.643284 0.963812 F\n0.963812 0.637013 0.643284 F\n0.573068 0.930162 0.243314 F\n0.243314 0.573069 0.930162 F\n0.930161 0.243315 0.573068 F\n0.426932 0.069839 0.756686 F\n0.756685 0.426932 0.069839 F\n0.069838 0.756686 0.426932 F\n0.307448 0.975316 0.026699 F\n0.267225 0.311531 0.603993 F\n0.975315 0.026700 0.307449 F\n0.692551 0.024685 0.973301 F\n0.973300 0.692552 0.024684 F\n0.024684 0.973301 0.692552 F\n0.732775 0.688470 0.396007 F\n0.688469 0.396007 0.732775 F\n0.396006 0.732776 0.688469 F\n0.362988 0.356717 0.036188 F\n0.311530 0.603993 0.267225 F\n0.603993 0.267225 0.311531 F\n0.026699 0.307449 0.975316 F\n0.356717 0.036188 0.362988 F\n",
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"formula_full": "Li12 Be6 F24",
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{
"id": "jvasp-87985",
"created_at": "2022-09-04T14:36:04.139645Z",
"updated_at": "2022-09-04T14:36:04.139670Z",
"structure_string": "Li21 Ta3 O18\n1.0\n5.529877 0.000000 -0.000000\n-2.764939 4.789014 0.000000\n-0.000000 0.000000 14.668236\nLi Ta O\n21 3 18\ndirect\n0.382578 0.388988 0.115966 Li\n0.666667 0.333333 0.987344 Li\n0.000000 0.000000 0.654004 Li\n0.712527 0.728697 0.217840 Li\n0.016170 0.287473 0.217840 Li\n0.271302 0.983829 0.217840 Li\n0.339741 0.284087 0.782631 Li\n0.944345 0.660258 0.782631 Li\n0.715913 0.055655 0.782631 Li\n0.379194 0.062030 0.551172 Li\n0.333333 0.666666 0.320678 Li\n0.937970 0.317163 0.551172 Li\n0.673076 0.950753 0.449300 Li\n0.277678 0.326924 0.449300 Li\n0.049246 0.722322 0.449300 Li\n0.045857 0.395361 0.884505 Li\n0.349504 0.954142 0.884505 Li\n0.604639 0.650496 0.884505 Li\n0.006410 0.617421 0.115966 Li\n0.611011 0.993589 0.115966 Li\n0.682837 0.620806 0.551172 Li\n0.333333 0.666666 0.668056 Ta\n0.000000 0.000000 0.001392 Ta\n0.666667 0.333333 0.334725 Ta\n0.980702 0.613170 0.252448 O\n0.323260 0.952710 0.749113 O\n0.629449 0.676739 0.749113 O\n0.047289 0.370550 0.749113 O\n0.299132 0.352629 0.585780 O\n0.053498 0.700867 0.585780 O\n0.647370 0.946501 0.585780 O\n0.386829 0.367531 0.252448 O\n0.656593 0.619374 0.415782 O\n0.380625 0.037219 0.415782 O\n0.965804 0.685965 0.919115 O\n0.720162 0.034196 0.919115 O\n0.314034 0.279838 0.919115 O\n0.632469 0.019298 0.252448 O\n0.296115 0.010072 0.082449 O\n0.713957 0.703885 0.082449 O\n0.962781 0.343406 0.415782 O\n0.989928 0.286043 0.082449 O\n",
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{
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"created_at": "2022-09-04T14:38:20.414694Z",
"updated_at": "2022-09-04T14:38:20.414713Z",
"structure_string": "Yb22 Sb20\n1.0\n10.320851 -0.000000 -5.881950\n-3.352179 9.761294 -5.881950\n0.015565 0.021802 12.023104\nYb Sb\n22 20\ndirect\n0.265308 0.603059 0.206118 Yb\n0.603059 0.940808 0.206118 Yb\n0.603059 0.265308 0.206118 Yb\n0.734692 0.396941 0.793881 Yb\n0.059191 0.396941 0.793881 Yb\n0.396941 0.734691 0.793881 Yb\n0.663077 0.663076 0.326154 Yb\n0.336923 0.336923 0.673845 Yb\n0.834431 0.834431 -0.000000 Yb\n0.165568 0.834431 -0.000000 Yb\n0.834431 0.165569 -0.000000 Yb\n0.165569 0.165569 -0.000000 Yb\n0.189366 0.937931 0.378732 Yb\n0.559199 0.810634 0.621267 Yb\n0.062069 0.810634 0.621267 Yb\n0.810634 0.062069 0.621267 Yb\n0.810634 0.559198 0.621267 Yb\n0.440801 0.189366 0.378732 Yb\n0.940809 0.603059 0.206118 Yb\n0.396941 0.059191 0.793882 Yb\n0.189366 0.440801 0.378732 Yb\n0.937931 0.189366 0.378732 Yb\n0.349594 0.000000 -0.000000 Sb\n0.469163 0.469162 0.350699 Sb\n0.881536 0.881536 0.350699 Sb\n0.469163 0.881536 0.350699 Sb\n0.881536 0.469162 0.350699 Sb\n0.530837 0.118463 0.649301 Sb\n0.118464 0.530837 0.649300 Sb\n0.530837 0.530837 0.649300 Sb\n0.750000 0.250000 0.500000 Sb\n0.250000 0.750000 0.500000 Sb\n0.371865 0.628135 -0.000000 Sb\n0.628135 0.371865 -0.000000 Sb\n0.371865 0.371865 -0.000000 Sb\n0.874620 0.874619 0.749238 Sb\n0.125380 0.125380 0.250762 Sb\n0.650406 0.000000 -0.000000 Sb\n-0.000000 0.650406 -0.000000 Sb\n-0.000000 0.349594 -0.000000 Sb\n0.628135 0.628135 -0.000000 Sb\n0.118464 0.118463 0.649301 Sb\n",
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},
{
"id": "jvasp-103890",
"created_at": "2022-09-04T14:36:56.672224Z",
"updated_at": "2022-09-04T14:36:56.672242Z",
"structure_string": "Ti1 H24 C13 O4\n1.0\n4.899813 -0.017654 -0.655557\n-0.682333 6.788775 -2.233653\n-0.121746 -0.207251 10.969320\nTi H C O\n1 24 13 4\ndirect\n0.478775 0.587605 0.883875 Ti\n0.962537 0.813497 0.540670 H\n0.310015 0.527589 0.633115 H\n0.202561 0.762161 0.727608 H\n0.488061 0.673376 0.137283 H\n0.137031 0.613612 0.052039 H\n0.861368 0.864953 0.395308 H\n0.023706 0.532134 0.718339 H\n0.511907 0.082737 0.514981 H\n0.865290 0.172020 0.574357 H\n0.877730 0.034492 0.751893 H\n0.524752 0.930410 0.696290 H\n0.346646 0.417383 0.054171 H\n0.004600 0.187318 0.373110 H\n0.698671 0.091082 0.258071 H\n0.415024 0.713032 0.514892 H\n0.419928 0.682878 0.349732 H\n-0.004274 0.510446 0.329872 H\n0.140777 0.992106 0.167859 H\n0.684127 0.418617 0.219913 H\n0.062884 0.119474 0.973633 H\n0.789093 0.244280 0.042467 H\n0.770848 0.479370 0.513026 H\n0.463240 0.367913 0.402920 H\n0.241050 0.244470 0.197974 H\n0.549220 0.682918 0.440529 C\n0.643853 0.476897 0.421119 C\n0.806966 0.407867 0.308867 C\n0.909153 0.118722 0.036400 C\n0.060593 0.134167 0.173953 C\n0.886033 0.196626 0.282443 C\n0.726135 0.928326 0.974475 C\n0.706608 0.051603 0.563883 C\n0.786996 0.850957 0.482206 C\n0.586405 0.243102 0.781058 C\n0.224167 0.607845 0.720604 C\n0.346165 0.569440 0.052315 C\n0.676241 0.052143 0.702554 C\n0.767581 0.393758 0.846741 O\n0.831130 0.768719 0.914003 O\n0.470497 0.906664 0.979853 O\n0.334702 0.273133 0.783342 O\n",
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"formula_full": "Ti1 H24 C13 O4",
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{
"id": "jvasp-112037",
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