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{
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{
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"structure_string": "Ca4 Mg1 B4 H6 C2 O18\n1.0\n4.304910 8.728761 -0.016549\n-4.304910 8.728761 -0.016549\n0.000000 0.899591 4.396837\nCa Mg B H C O\n4 1 4 6 2 18\ndirect\n0.075858 0.610900 0.145538 Ca\n0.389100 0.924142 0.854462 Ca\n0.924142 0.389100 0.854462 Ca\n0.610900 0.075858 0.145538 Ca\n0.000000 0.000000 0.000000 Mg\n0.228260 0.771740 0.500000 B\n0.771740 0.228260 0.500000 B\n0.901144 0.901144 0.614286 B\n0.098856 0.098856 0.385714 B\n0.218387 0.218387 0.318633 H\n0.781613 0.781613 0.681367 H\n0.593853 0.389748 0.211220 H\n0.610252 0.406147 0.788781 H\n0.406147 0.610252 0.788781 H\n0.389748 0.593853 0.211220 H\n0.309545 0.309545 0.746030 C\n0.690455 0.690455 0.253971 C\n0.179788 0.179788 0.186611 O\n0.820212 0.820212 0.813390 O\n0.418795 0.154909 0.649318 O\n0.845091 0.581204 0.350682 O\n0.581204 0.845091 0.350682 O\n0.154909 0.418795 0.649318 O\n0.628315 0.280548 0.326627 O\n0.719452 0.371685 0.673373 O\n0.897827 0.897827 0.303974 O\n0.280548 0.628315 0.326627 O\n0.805816 0.080806 0.718310 O\n0.919194 0.194183 0.281690 O\n0.194183 0.919194 0.281690 O\n0.080806 0.805816 0.718310 O\n0.102173 0.102173 0.696026 O\n0.647933 0.647933 0.048305 O\n0.371685 0.719452 0.673373 O\n0.352067 0.352067 0.951695 O\n",
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{
"id": "jvasp-47444",
"created_at": "2022-09-04T14:38:02.931456Z",
"updated_at": "2022-09-04T14:38:02.931465Z",
"structure_string": "Li2 V1 Cr1 P2 H2 O10\n1.0\n5.118740 0.008870 -0.018283\n-0.725031 5.288531 -0.003858\n-2.350853 -2.377691 6.440414\nLi V Cr P H O\n2 1 1 2 2 10\ndirect\n0.746574 0.390553 0.822831 Li\n0.253426 0.609447 0.177168 Li\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 Cr\n0.679496 0.366404 0.233078 P\n0.320504 0.633596 0.766921 P\n0.364698 0.071148 0.351019 H\n0.635303 0.928852 0.648980 H\n0.687432 0.665308 0.336353 O\n0.628626 0.753006 0.931703 O\n0.107814 0.654548 0.879924 O\n0.892187 0.345452 0.120076 O\n0.835876 0.040526 0.719919 O\n0.312569 0.334692 0.663647 O\n0.736613 0.216960 0.390474 O\n0.263388 0.783040 0.609525 O\n0.371375 0.246994 0.068297 O\n0.164125 0.959474 0.280081 O\n",
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"formula_full": "Li2 V1 Cr1 P2 H2 O10",
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{
"id": "jvasp-96869",
"created_at": "2022-09-04T14:35:45.110192Z",
"updated_at": "2022-09-04T14:35:45.110217Z",
"structure_string": "Np2 H32 C8 N16 Cl2 O12\n1.0\n5.017111 6.048917 -0.902909\n-5.017111 6.048917 0.902909\n-0.256975 0.000000 11.466099\nNp H C N Cl O\n2 32 8 16 2 12\ndirect\n0.781908 0.781908 0.250000 Np\n0.218092 0.218093 0.750000 Np\n0.590337 0.077498 0.441199 H\n0.710095 0.434612 0.864044 H\n0.434611 0.710095 0.635956 H\n0.289905 0.565389 0.135956 H\n0.565389 0.289906 0.364044 H\n0.530704 0.774678 0.007106 H\n0.774678 0.530704 0.492894 H\n0.469296 0.225323 0.992894 H\n0.225322 0.469297 0.507106 H\n0.498084 0.655992 0.888507 H\n0.655991 0.498085 0.611493 H\n0.501916 0.344009 0.111493 H\n0.344009 0.501916 0.388507 H\n0.077498 0.590337 0.058801 H\n0.409664 0.922503 0.558801 H\n0.922502 0.409664 0.941199 H\n0.637522 0.115858 0.690788 H\n0.824164 0.171741 0.150581 H\n0.828259 0.175836 0.650581 H\n0.175836 0.828260 0.849419 H\n0.362478 0.884143 0.309212 H\n0.884143 0.362478 0.190788 H\n0.007367 0.635731 0.606286 H\n0.171741 0.824165 0.349419 H\n0.115857 0.637523 0.809212 H\n0.021587 0.167541 0.495223 H\n0.832459 0.978413 0.995223 H\n0.978413 0.832460 0.504777 H\n0.364269 0.992634 0.106286 H\n0.992633 0.364270 0.393714 H\n0.635731 0.007367 0.893714 H\n0.167541 0.021587 0.004777 H\n0.263646 0.414201 0.004951 C\n0.585799 0.736355 0.504951 C\n0.414201 0.263646 0.495049 C\n0.736354 0.585800 0.995049 C\n0.914204 0.153812 0.327295 C\n0.846188 0.085797 0.827295 C\n0.153812 0.914204 0.172705 C\n0.085796 0.846188 0.672705 C\n0.320344 0.424330 0.460526 N\n0.424330 0.320344 0.039474 N\n0.575670 0.679656 0.960526 N\n0.543357 0.208098 0.434950 N\n0.208098 0.543357 0.065050 N\n0.456643 0.791903 0.565050 N\n0.791902 0.456644 0.934950 N\n0.679656 0.575671 0.539474 N\n0.762355 0.022440 0.912238 N\n0.977561 0.237645 0.412238 N\n0.237645 0.977561 0.087762 N\n0.123885 0.764794 0.786187 N\n0.764793 0.123885 0.713813 N\n0.876115 0.235207 0.213813 N\n0.235207 0.876116 0.286187 N\n0.022439 0.762356 0.587762 N\n0.547337 0.547337 0.250000 Cl\n0.452663 0.452664 0.750000 Cl\n0.614469 0.835955 0.414920 O\n0.835955 0.614469 0.085080 O\n0.109584 0.001813 0.644954 O\n0.001812 0.109584 0.855046 O\n0.890416 0.998188 0.355046 O\n0.949243 0.615406 0.353170 O\n0.384594 0.050758 0.853170 O\n0.050757 0.384595 0.646830 O\n0.615406 0.949243 0.146830 O\n0.164045 0.385532 0.914920 O\n0.998188 0.890417 0.144954 O\n0.385531 0.164046 0.585080 O\n",
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{
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"structure_string": "V2 H32 C12 N12 O14 F4\n1.0\n6.803085 -0.212751 2.158169\n-0.958423 9.492522 4.724465\n-0.059866 -0.003628 10.829100\nV H C N O F\n2 32 12 12 14 4\ndirect\n0.621178 0.043555 0.322012 V\n0.378821 0.956445 0.677989 V\n0.179526 0.191512 0.780991 H\n0.001872 0.863314 0.635165 H\n0.826802 0.900047 0.568970 H\n0.953878 0.632042 0.656829 H\n0.313686 0.429025 0.990583 H\n0.928845 0.982886 0.806653 H\n0.229327 0.688335 0.396421 H\n0.217675 0.660758 0.917206 H\n0.071154 0.017114 0.193348 H\n0.596887 0.141352 0.990313 H\n0.946471 0.300545 0.949988 H\n0.218043 0.036678 0.025104 H\n0.571513 0.283297 0.833825 H\n0.242430 0.313191 0.177824 H\n0.954336 0.531360 0.299088 H\n0.173197 0.099952 0.431031 H\n0.899647 0.174048 0.589099 H\n0.100352 0.825952 0.410902 H\n0.045663 0.468639 0.700913 H\n0.781956 0.963321 0.974897 H\n0.260731 0.291444 0.829277 H\n0.770673 0.311665 0.603580 H\n0.998127 0.136686 0.364836 H\n0.046121 0.367958 0.343171 H\n0.428486 0.716703 0.166176 H\n0.403112 0.858648 0.009687 H\n0.757569 0.686808 0.822177 H\n0.686314 0.570975 0.009418 H\n0.820474 0.808488 0.219010 H\n0.739268 0.708556 0.170724 H\n0.782324 0.339242 0.082795 H\n0.053529 0.699454 0.050013 H\n0.383060 0.271177 0.498419 C\n0.142618 0.503706 0.127747 C\n0.246500 0.859167 0.200847 C\n0.753499 0.140833 0.799154 C\n0.486953 0.691477 0.647269 C\n0.499350 0.457830 0.308825 C\n0.857382 0.496293 0.872254 C\n0.616939 0.728823 0.501582 C\n0.513047 0.308523 0.352732 C\n0.359180 0.422277 0.456095 C\n0.500650 0.542170 0.691176 C\n0.640819 0.577722 0.543906 C\n0.373987 0.809935 0.120222 N\n0.954797 0.531602 0.732370 N\n0.744210 0.587340 0.903931 N\n0.869604 0.371781 0.977552 N\n0.187414 0.786186 0.346583 N\n0.045202 0.468398 0.267631 N\n0.130395 0.628218 0.022449 N\n0.820705 0.018656 0.864496 N\n0.812585 0.213813 0.653418 N\n0.255789 0.412660 0.096070 N\n0.626012 0.190065 0.879779 N\n0.179294 0.981344 0.135505 N\n0.920829 0.830754 0.592275 O\n0.079170 0.169246 0.407726 O\n0.421422 0.941791 0.822638 O\n0.262454 0.490628 0.515186 O\n0.605350 0.245831 0.280619 O\n0.578577 0.058209 0.177363 O\n0.150609 0.218693 0.859880 O\n0.849390 0.781307 0.140121 O\n0.311550 0.157690 0.616512 O\n0.425253 0.430959 0.807536 O\n0.574746 0.569041 0.192465 O\n0.688449 0.842309 0.383489 O\n0.737545 0.509372 0.484815 O\n0.394649 0.754168 0.719382 O\n0.354057 -0.012853 0.465598 F\n0.101527 0.900327 0.737402 F\n0.898472 0.099673 0.262599 F\n0.645942 0.012853 0.534403 F\n",
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{
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"updated_at": "2022-09-04T14:35:41.765070Z",
"structure_string": "Al1 Cu1 H28 S2 Cl1 O22\n1.0\n6.275238 -0.004171 -0.513361\n1.696435 13.101463 -0.429325\n-0.003194 -0.002692 6.206551\nAl Cu H S Cl O\n1 1 28 2 1 22\ndirect\n0.500001 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Cu\n0.221342 0.318048 0.371666 H\n0.778658 0.681952 0.628335 H\n0.642192 0.680442 0.391666 H\n0.533704 0.279948 0.910608 H\n0.466296 0.720052 0.089393 H\n0.283755 0.311555 0.951654 H\n0.716246 0.688445 0.048347 H\n0.885827 0.400480 0.991798 H\n0.114173 0.599520 0.008203 H\n0.151624 0.526633 0.216002 H\n0.848376 0.473367 0.783999 H\n0.718503 0.453669 0.362718 H\n0.281497 0.546331 0.637283 H\n0.357808 0.319558 0.608335 H\n0.493361 0.610720 0.647101 H\n0.506639 0.389280 0.352900 H\n0.713103 0.133002 0.349238 H\n0.517860 0.806555 0.582533 H\n0.482140 0.193445 0.417468 H\n0.879855 0.898267 0.534058 H\n0.120145 0.101733 0.465943 H\n0.286897 0.866998 0.650763 H\n0.199336 0.092888 0.726466 H\n0.311091 0.909148 0.171486 H\n0.688910 0.090852 0.828515 H\n0.694944 0.969802 0.877092 H\n0.800665 0.907112 0.273535 H\n0.305057 0.030198 0.122909 H\n0.016256 0.806570 0.933095 S\n0.983744 0.193430 0.066906 S\n-0.000000 0.500000 0.500000 Cl\n0.376408 0.972776 0.215665 O\n0.623592 0.027224 0.784336 O\n0.421522 0.557339 0.714343 O\n0.578478 0.442661 0.285658 O\n0.596447 0.671718 0.129620 O\n0.797875 0.462178 0.927676 O\n0.230356 0.068095 0.575989 O\n0.403553 0.328282 0.870381 O\n0.202126 0.537822 0.072325 O\n0.769645 0.931905 0.424012 O\n0.054924 0.842045 0.716131 O\n0.430896 0.876276 0.601444 O\n0.785376 0.196609 0.920400 O\n0.214624 0.803391 0.079601 O\n0.159628 0.121900 0.977968 O\n0.840373 0.878100 0.022032 O\n0.945076 0.157954 0.283870 O\n0.052058 0.297337 0.090366 O\n0.947942 0.702663 0.909635 O\n0.633980 0.694983 0.552684 O\n0.569105 0.123724 0.398557 O\n0.366020 0.305017 0.447317 O\n",
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{
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