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{
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{
"id": "jvasp-61703",
"created_at": "2022-09-04T14:35:50.643442Z",
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"structure_string": "Na4 Be1 Al1 Si4 Cl1 O12\n1.0\n-4.335712 4.335713 4.469798\n4.335712 -4.335713 4.469798\n4.335713 4.335712 -4.469798\nNa Be Al Si Cl O\n4 1 1 4 1 12\ndirect\n0.985182 0.028049 0.650940 Na\n0.377108 0.334241 0.349059 Na\n0.971951 0.622892 0.957134 Na\n0.665759 0.014818 0.042866 Na\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Al\n0.749680 0.509571 0.267977 Si\n0.241594 0.481702 0.732022 Si\n0.518297 0.250320 0.759891 Si\n0.490429 0.758406 0.240109 Si\n0.000000 0.000000 0.000000 Cl\n0.410750 0.693817 0.982185 O\n0.571434 0.589250 0.283067 O\n0.690292 0.996926 0.389168 O\n0.698877 0.309709 0.306634 O\n0.003074 0.392242 0.693365 O\n0.990084 0.717176 0.433470 O\n0.283706 0.556613 0.566529 O\n0.282824 0.716294 0.272907 O\n0.443387 0.009916 0.727093 O\n0.306183 0.288367 0.716933 O\n0.711633 0.428566 0.017815 O\n0.607758 0.301123 0.610831 O\n",
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{
"id": "jvasp-62221",
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"structure_string": "Na4 Be1 Al1 Si4 Cl1 O12\n1.0\n-4.335754 4.335754 4.469887\n4.335754 -4.335754 4.469887\n4.335754 4.335754 -4.469887\nNa Be Al Si Cl O\n4 1 1 4 1 12\ndirect\n0.971973 0.014821 0.349070 Na\n0.665751 0.622904 0.650929 Na\n0.377096 0.028027 0.042847 Na\n0.985179 0.334249 0.957152 Na\n0.750000 0.250000 0.499999 Be\n0.250000 0.750000 0.499999 Al\n0.490437 0.250319 0.732033 Si\n0.518286 0.758404 0.267966 Si\n0.749681 0.481714 0.240118 Si\n0.241596 0.509562 0.759881 Si\n0.000000 0.000000 0.000000 Cl\n0.306177 0.589250 0.017802 O\n0.410750 0.428551 0.716926 O\n0.003079 0.309702 0.610828 O\n0.690297 0.301127 0.693376 O\n0.607751 0.996921 0.306623 O\n0.282835 0.009919 0.566548 O\n0.443371 0.716287 0.433451 O\n0.283713 0.717164 0.727083 O\n0.990081 0.556630 0.272916 O\n0.711625 0.693823 0.283073 O\n0.571448 0.288375 0.982197 O\n0.698873 0.392249 0.389171 O\n",
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{
"id": "jvasp-97715",
"created_at": "2022-09-04T14:36:01.940025Z",
"updated_at": "2022-09-04T14:36:01.940045Z",
"structure_string": "Li4 B4 H60 C20 N4 O12\n1.0\n8.791259 0.000000 -2.777034\n0.000000 9.615205 0.000000\n0.034519 0.000000 9.988483\nLi B H C N O\n4 4 60 20 4 12\ndirect\n0.852451 0.677269 0.815270 Li\n0.647549 0.177269 0.184731 Li\n0.147549 0.322731 0.184730 Li\n0.352451 0.822731 0.815270 Li\n0.408296 0.337422 0.221972 B\n0.091704 0.837422 0.778028 B\n0.908296 0.162578 0.221972 B\n0.591704 0.662578 0.778028 B\n0.839505 0.102067 0.296088 H\n0.340361 0.227960 0.178387 H\n0.476354 0.368101 0.951885 H\n0.034394 0.210501 0.510208 H\n0.023646 0.868101 0.048115 H\n0.199204 0.300739 0.494843 H\n0.147971 0.524518 0.962397 H\n0.837193 0.594102 0.175574 H\n0.337982 0.508800 0.746841 H\n0.965606 0.789499 0.489793 H\n0.259809 0.083576 0.658425 H\n0.486002 0.867728 0.589213 H\n0.159639 0.727960 0.821613 H\n0.385559 0.495363 0.586802 H\n0.699204 0.199261 0.494844 H\n0.840361 0.272040 0.178387 H\n0.594711 0.586468 0.877544 H\n0.852029 0.475482 0.037603 H\n0.939833 0.344616 0.648642 H\n0.780903 0.411585 0.407510 H\n0.523646 0.631898 0.048115 H\n0.013999 0.367729 0.410787 H\n0.162018 0.008801 0.253159 H\n0.565423 0.319249 0.818135 H\n0.300796 0.800738 0.505156 H\n0.647971 0.975481 0.962397 H\n0.434577 0.680751 0.181865 H\n0.614442 0.504637 0.413198 H\n0.534394 0.289499 0.510208 H\n0.280903 0.088415 0.407510 H\n0.060167 0.655384 0.351358 H\n0.662807 0.094102 0.824427 H\n0.240191 0.583575 0.341575 H\n0.740191 0.916424 0.341575 H\n0.759809 0.416424 0.658426 H\n0.339505 0.397933 0.296087 H\n0.465606 0.710500 0.489792 H\n0.986002 0.632271 0.589213 H\n0.094711 0.913531 0.877544 H\n0.885559 0.004637 0.586802 H\n0.560167 0.844615 0.351358 H\n0.065423 0.180751 0.818135 H\n0.352029 0.024518 0.037603 H\n0.976354 0.131898 0.951886 H\n0.513999 0.132271 0.410787 H\n0.934577 0.819248 0.181865 H\n0.837982 0.991199 0.746841 H\n0.405290 0.413531 0.122456 H\n0.219097 0.588414 0.592490 H\n0.114442 -0.004637 0.413198 H\n0.719097 0.911585 0.592491 H\n0.439833 0.155384 0.648642 H\n0.660495 0.602066 0.703913 H\n0.659639 0.772039 0.821614 H\n0.662018 0.491199 0.253160 H\n0.337193 0.905898 0.175573 H\n0.162807 0.405898 0.824427 H\n0.800796 0.699261 0.505157 H\n0.905290 0.086468 0.122457 H\n0.160495 0.897933 0.703913 H\n0.162079 0.065571 0.348232 C\n0.004340 0.785062 0.115318 C\n0.871629 0.377144 0.717330 C\n0.094422 0.440151 0.891840 C\n0.837921 0.934429 0.651769 C\n0.337921 0.565570 0.651768 C\n0.995660 0.214937 0.884683 C\n0.504340 0.714937 0.115318 C\n0.495660 0.285063 0.884682 C\n0.405578 0.940150 0.108160 C\n0.662079 0.434429 0.348232 C\n0.918849 0.728147 0.562128 C\n0.905578 0.559849 0.108161 C\n0.418849 0.771853 0.562128 C\n0.581151 0.228147 0.437872 C\n0.628371 0.877143 0.282670 C\n0.081151 0.271853 0.437872 C\n0.594422 0.059849 0.891840 C\n0.371629 0.122856 0.717330 C\n0.128371 0.622856 0.282670 C\n0.573457 0.306481 0.310269 N\n0.073457 0.193519 0.310269 N\n0.926543 0.806481 0.689731 N\n0.426543 0.693518 0.689731 N\n0.148988 0.737033 0.199988 O\n0.449274 0.011752 0.806059 O\n0.648988 0.762967 0.199988 O\n0.572894 0.174950 0.974836 O\n0.550726 0.988247 0.193941 O\n0.072894 0.325050 0.974836 O\n0.949275 0.488248 0.806059 O\n0.427106 0.825050 0.025164 O\n0.851012 0.262967 0.800012 O\n0.351012 0.237033 0.800012 O\n0.927106 0.674949 0.025164 O\n0.050726 0.511752 0.193941 O\n",
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"elements": [
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"formula_full": "Li4 B4 H60 C20 N4 O12",
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{
"id": "jvasp-98057",
"created_at": "2022-09-04T14:36:12.470525Z",
"updated_at": "2022-09-04T14:36:12.470545Z",
"structure_string": "Ba1 Y6 Si3 B6 O24 F2\n1.0\n10.683737 0.000000 0.000000\n-5.341869 9.252388 -0.000000\n-0.000000 -0.000000 4.700316\nBa Y Si B O F\n1 6 3 6 24 2\ndirect\n0.000000 0.000000 0.014924 Ba\n0.569585 0.784793 0.953354 Y\n0.215207 0.784792 0.953354 Y\n0.215209 0.430416 0.953354 Y\n0.784018 0.215985 -0.000005 Y\n0.784016 0.568033 -0.000005 Y\n0.431967 0.215982 -0.000005 Y\n0.492570 0.507431 0.402536 Si\n0.014862 0.507431 0.402536 Si\n0.492569 0.985139 0.402536 Si\n0.999751 0.749754 0.482298 B\n0.250246 0.000246 0.482298 B\n0.750003 0.000250 0.482298 B\n0.999754 0.250000 0.482298 B\n0.750000 0.749754 0.482298 B\n0.250247 0.249997 0.482298 B\n0.002082 0.263203 0.179576 O\n0.855352 0.144650 0.596990 O\n0.569690 0.430310 0.232865 O\n0.148689 0.574345 0.181847 O\n0.736797 0.738879 0.179576 O\n0.261121 0.997918 0.179576 O\n0.109577 0.219151 0.604238 O\n0.855350 0.710702 0.596990 O\n0.607717 0.634596 0.625987 O\n0.261121 0.263200 0.179576 O\n0.365404 0.973121 0.625987 O\n0.780849 0.890426 0.604238 O\n0.109574 0.890424 0.604238 O\n0.607720 0.973125 0.625987 O\n0.002079 0.738879 0.179576 O\n0.425655 0.574344 0.181847 O\n0.860621 0.430311 0.232865 O\n0.365405 0.392280 0.625987 O\n0.736800 0.997922 0.179576 O\n0.569690 0.139379 0.232865 O\n0.289298 0.144648 0.596990 O\n0.026875 0.634595 0.625987 O\n0.425656 0.851311 0.181847 O\n0.026879 0.392283 0.625987 O\n0.333333 0.666667 0.741971 F\n0.666667 0.333333 0.793380 F\n",
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{
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"structure_string": "Na7 Al1 H2 C4 O12 F4\n1.0\n6.390664 -0.046922 -0.837358\n-3.389738 5.832191 -0.290671\n-0.009356 0.001844 8.860151\nNa Al H C O F\n7 1 2 4 12 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 -0.000000 Na\n0.500000 0.000000 -0.000000 Na\n0.274984 0.615077 0.641591 Na\n0.725014 0.384923 0.358408 Na\n0.221931 0.881763 0.357154 Na\n0.778067 0.118237 0.642846 Na\n-0.000000 0.500000 0.000000 Al\n0.240771 0.237793 0.505803 H\n0.759227 0.762206 0.494196 H\n0.712327 0.887855 0.299714 C\n0.287671 0.112145 0.700286 C\n0.795621 0.610258 0.714472 C\n0.204377 0.389742 0.285527 C\n0.286647 0.260353 0.339413 O\n0.153679 0.507864 0.373499 O\n0.846319 0.492135 0.626500 O\n0.175853 0.392498 0.135665 O\n0.824145 0.607501 0.864335 O\n0.713351 0.739647 0.660586 O\n0.648720 0.008867 0.372691 O\n0.708205 0.867803 0.156632 O\n0.205739 0.233770 0.617935 O\n0.794259 0.766229 0.382065 O\n0.351279 0.991132 0.627309 O\n0.291793 0.132196 0.843368 O\n0.154003 0.788523 0.107351 F\n0.250444 0.609729 0.891080 F\n0.749555 0.390270 0.108919 F\n0.845995 0.211477 0.892649 F\n",
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{
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{
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"updated_at": "2022-09-04T14:37:35.148720Z",
"structure_string": "K1 Na1 Mg2 Si4 O10 F2\n1.0\n5.279737 0.008903 -0.491698\n-2.679157 4.549486 -0.491698\n-0.056589 -0.099192 10.203134\nK Na Mg Si O F\n1 1 2 4 10 2\ndirect\n0.500000 0.500000 -0.000000 K\n0.000000 0.000000 0.500000 Na\n0.333808 0.666193 0.500000 Mg\n0.666192 0.333808 0.500000 Mg\n0.748680 0.088541 0.777028 Si\n0.911459 0.251320 0.222971 Si\n0.088541 0.748681 0.777028 Si\n0.251320 0.911459 0.222971 Si\n0.936882 0.443850 0.843951 O\n0.322423 0.959668 0.382694 O\n0.063118 0.556150 0.156048 O\n0.677577 0.040333 0.617305 O\n0.050975 0.050975 0.165575 O\n0.949025 0.949026 0.834424 O\n0.556150 0.063118 0.156048 O\n0.443850 0.936883 0.843951 O\n0.040333 0.677577 0.617305 O\n0.959667 0.322423 0.382694 O\n0.593442 0.593442 0.389203 F\n0.406558 0.406558 0.610796 F\n",
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{
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{
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