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{
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{
"id": "jvasp-101987",
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"structure_string": "H20 C32\n1.0\n8.115988 0.000000 -1.804878\n0.000000 3.804276 0.000000\n-0.045200 0.000000 15.266099\nH C\n20 32\ndirect\n0.498688 0.939374 0.704351 H\n0.484303 0.289075 0.055043 H\n0.515697 0.710926 0.944957 H\n0.484303 0.210925 0.555043 H\n0.322910 0.130388 0.902647 H\n0.677090 0.869613 0.097353 H\n0.677090 0.630388 0.597353 H\n0.322910 0.369613 0.402647 H\n0.943603 0.895289 0.206907 H\n0.056397 0.104712 0.793093 H\n0.515697 0.789076 0.444957 H\n0.943603 0.604713 0.706907 H\n0.245103 0.790988 0.245763 H\n0.754898 0.209013 0.754237 H\n0.754898 0.290988 0.254237 H\n0.245103 0.709013 0.745763 H\n0.498688 0.560627 0.204351 H\n0.501313 0.439374 0.795648 H\n0.501313 0.060627 0.295648 H\n0.056397 0.395288 0.293093 H\n0.789153 0.730417 0.579568 C\n0.789153 0.769585 0.079568 C\n0.210847 0.230416 0.920432 C\n0.222756 0.125217 0.508418 C\n0.777244 0.874784 0.491582 C\n0.777244 0.625218 0.991582 C\n0.372668 0.392576 0.072314 C\n0.372668 0.107424 0.572314 C\n0.627333 0.892577 0.427686 C\n0.627333 0.607425 0.927686 C\n0.076769 0.992779 0.531665 C\n0.923231 0.007222 0.468334 C\n0.210847 0.269584 0.420432 C\n0.222756 0.374783 0.008418 C\n0.936496 0.783502 0.140275 C\n0.761569 0.171022 0.320162 C\n0.063504 0.283501 0.359725 C\n0.936496 0.716500 0.640275 C\n0.085119 0.654840 0.118631 C\n0.914882 0.345161 0.881369 C\n0.914882 0.154840 0.381369 C\n0.085119 0.845161 0.618631 C\n0.238432 0.671022 0.179838 C\n0.761569 0.328979 0.820162 C\n0.923231 0.492778 0.968334 C\n0.238431 0.828979 0.679838 C\n0.380201 0.542001 0.156450 C\n0.619799 0.458000 0.843550 C\n0.619799 0.042000 0.343550 C\n0.380201 0.958001 0.656450 C\n0.063504 0.216499 0.859725 C\n0.076769 0.507223 0.031665 C\n",
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{
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"structure_string": "H24 C16 O12\n1.0\n4.771787 0.000000 -3.655429\n0.000000 11.247551 0.000000\n0.148446 0.000000 7.676259\nH C O\n24 16 12\ndirect\n0.049337 0.594360 0.584691 H\n0.672683 0.755592 0.015849 H\n0.327318 0.244408 -0.015849 H\n0.327318 0.255592 0.484152 H\n0.672683 0.744408 0.515849 H\n0.719285 0.681267 0.241302 H\n0.280717 0.318732 0.758699 H\n0.280716 0.181268 0.258699 H\n0.719285 0.818732 0.741302 H\n0.829683 0.212816 0.505600 H\n0.829682 0.287184 0.005599 H\n0.170318 0.712816 -0.005599 H\n0.170319 0.787184 0.494401 H\n0.822563 0.283455 0.709483 H\n0.950665 0.405640 0.415310 H\n0.177439 0.716545 0.290518 H\n0.049336 0.905640 0.084690 H\n0.326279 0.560764 0.857800 H\n0.673722 0.439236 0.142201 H\n0.950665 0.094360 0.915310 H\n0.326279 0.939236 0.357799 H\n0.177439 0.783455 0.790518 H\n0.822562 0.216545 0.209482 H\n0.673722 0.060764 0.642201 H\n0.924465 0.286512 0.179870 C\n0.770144 0.761466 0.190229 C\n0.229857 0.238534 0.809771 C\n0.229857 0.261466 0.309771 C\n0.770144 0.738534 0.690229 C\n0.075536 0.786512 0.320130 C\n0.924465 0.213488 0.679870 C\n0.075536 0.713488 0.820131 C\n0.288805 0.471909 0.263628 C\n0.885893 0.094086 0.747754 C\n0.885892 0.405914 0.247754 C\n0.114109 0.594086 0.752247 C\n0.711196 0.971909 0.236373 C\n0.288806 0.028091 0.763628 C\n0.711196 0.528091 0.736373 C\n0.114108 0.905913 0.252246 C\n0.052773 0.497340 0.237466 O\n0.947228 0.502660 0.762535 O\n0.571647 0.052684 0.233064 O\n0.428355 0.947316 0.766937 O\n0.428354 0.552684 0.266937 O\n0.368722 0.141394 0.780349 O\n0.631280 0.858605 0.219651 O\n0.368721 0.358606 0.280349 O\n0.631280 0.641394 0.719652 O\n0.052774 0.002660 0.737466 O\n0.571647 0.447316 0.733064 O\n0.947228 0.997340 0.262534 O\n",
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{
"id": "jvasp-98376",
"created_at": "2022-09-04T14:36:12.264092Z",
"updated_at": "2022-09-04T14:36:12.264118Z",
"structure_string": "K8 Pd4 Se40\n1.0\n10.714796 -0.000000 6.140979\n5.348569 11.284944 3.085895\n-0.254061 -0.017738 12.861378\nK Pd Se\n8 4 40\ndirect\n0.981457 0.056159 0.229052 K\n0.518544 0.770948 0.943841 K\n0.037625 0.943841 0.729044 K\n0.733333 0.729052 0.556159 K\n0.210510 0.556159 0.770955 K\n0.462376 0.270955 0.056159 K\n0.766668 0.443841 0.270948 K\n0.289490 0.229044 0.443841 K\n0.124994 0.250000 0.250000 Pd\n0.624996 0.250000 0.250000 Pd\n0.375007 0.750000 0.750000 Pd\n0.875005 0.750000 0.750000 Pd\n0.374674 0.587549 0.898993 Se\n0.811772 0.029905 0.542138 Se\n0.968397 0.309932 0.672413 Se\n0.138785 0.398993 0.087549 Se\n0.495354 0.320701 0.458525 Se\n0.004647 0.541475 0.679298 Se\n0.683939 0.041476 0.320702 Se\n0.125327 0.101007 0.412451 Se\n0.816062 0.679297 0.958523 Se\n0.859194 0.672411 0.190066 Se\n0.917442 0.200624 0.584026 Se\n0.616185 0.042138 0.529905 Se\n0.546118 0.458523 0.179297 Se\n0.297908 0.084026 0.700624 Se\n0.962211 0.412454 0.398993 Se\n0.221673 0.827588 0.309933 Se\n0.841679 0.970095 0.042135 Se\n0.658322 0.957864 0.029904 Se\n0.883816 0.470094 0.957861 Se\n0.774580 0.179298 0.041475 Se\n0.725421 0.958524 0.820701 Se\n0.202093 0.299376 0.915974 Se\n0.537790 0.601006 0.587546 Se\n0.450742 0.190068 0.827587 Se\n0.353910 0.529905 0.457864 Se\n0.640807 0.809933 0.327588 Se\n0.688229 0.457861 0.970095 Se\n0.049259 0.172413 0.809932 Se\n0.531604 0.327587 0.690068 Se\n0.582559 0.415973 0.799376 Se\n0.361216 0.912451 0.601007 Se\n0.278328 0.690066 0.172411 Se\n0.226343 0.898993 0.912454 Se\n0.998527 0.584021 0.299381 Se\n0.146091 0.542135 0.470095 Se\n0.501474 0.700619 0.415979 Se\n0.953884 0.820702 0.541476 Se\n0.273658 0.087546 0.101007 Se\n0.118072 0.799381 0.084021 Se\n0.381929 0.915979 0.200619 Se\n",
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{
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"created_at": "2022-09-04T14:36:20.046298Z",
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"structure_string": "K8 P8 H8 O28\n1.0\n11.259768 0.062741 1.105393\n1.098459 7.699045 0.331774\n0.015304 0.145022 8.283445\nK P H O\n8 8 8 28\ndirect\n0.930068 0.383603 0.710326 K\n0.069932 0.616396 0.289673 K\n0.049828 0.817139 0.756489 K\n0.950172 0.182860 0.243510 K\n0.560841 0.210516 0.570728 K\n0.439159 0.789483 0.429270 K\n0.566407 0.651252 0.815006 K\n0.433594 0.348747 0.184993 K\n0.700844 0.978752 0.207016 P\n0.299156 0.021247 0.792982 P\n0.715918 0.490058 0.377469 P\n0.284082 0.509941 0.622530 P\n0.780929 0.804964 0.517263 P\n0.187455 0.352379 0.940318 P\n0.219071 0.195035 0.482735 P\n0.812545 0.647620 0.059680 P\n0.460697 0.835814 0.103136 H\n0.349185 0.775437 0.038147 H\n0.650816 0.224562 0.961852 H\n0.539303 0.164185 0.896863 H\n0.838410 0.077589 0.908898 H\n0.194631 0.972227 0.259480 H\n0.805370 0.027772 0.740519 H\n0.161590 0.922410 0.091100 H\n0.070361 0.284579 0.967358 O\n0.132123 0.925016 0.207330 O\n0.867877 0.074983 0.792669 O\n0.756972 0.113032 0.100092 O\n0.243028 0.886967 0.899907 O\n0.575037 0.024979 0.282883 O\n0.424963 0.975020 0.717116 O\n0.596704 0.479005 0.319323 O\n0.403296 0.520994 0.680676 O\n0.775403 0.344423 0.480450 O\n0.224597 0.655577 0.519548 O\n0.929640 0.715420 0.032640 O\n0.769422 0.545343 0.937128 O\n0.691202 0.669916 0.479411 O\n0.903317 0.712636 0.544907 O\n0.096683 0.287363 0.455092 O\n0.709550 0.918747 0.642393 O\n0.290450 0.081252 0.357605 O\n0.795191 0.914830 0.342733 O\n0.204809 0.085169 0.657266 O\n0.701425 0.803986 0.108320 O\n0.298575 0.196013 0.891679 O\n0.817609 0.533493 0.234480 O\n0.182391 0.466506 0.765519 O\n0.579127 0.266409 0.902565 O\n0.308798 0.330083 0.520588 O\n0.230578 0.454656 0.062870 O\n0.420873 0.733590 0.097433 O\n",
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{
"id": "jvasp-96947",
"created_at": "2022-09-04T14:36:32.765027Z",
"updated_at": "2022-09-04T14:36:32.765052Z",
"structure_string": "Na4 Ca6 Si12 O32\n1.0\n6.842979 -0.042123 -2.451401\n-2.023460 9.969665 -1.092427\n-0.047264 0.015185 10.690653\nNa Ca Si O\n4 6 12 32\ndirect\n0.648122 0.418454 0.818163 Na\n0.603097 0.865104 0.520213 Na\n0.396903 0.134896 0.479786 Na\n0.351878 0.581545 0.181837 Na\n0.034634 0.878097 0.878220 Ca\n0.537309 0.867301 0.887247 Ca\n0.965366 0.121903 0.121780 Ca\n0.097416 0.849656 0.516991 Ca\n0.902585 0.150343 0.483009 Ca\n0.462691 0.132698 0.112752 Ca\n0.847251 0.683432 0.070727 Si\n0.751305 0.134715 0.769273 Si\n0.681165 0.870093 0.230419 Si\n0.248695 0.865285 0.230726 Si\n0.207276 0.586919 0.855268 Si\n0.612055 0.399693 0.358156 Si\n0.152750 0.316567 0.929272 Si\n0.318836 0.129907 0.769580 Si\n0.792725 0.413080 0.144731 Si\n0.183569 0.399972 0.373141 Si\n0.387945 0.600307 0.641843 Si\n0.816431 0.600027 0.626859 Si\n0.267509 0.741973 0.922021 O\n0.674228 0.975796 0.125539 O\n0.601617 0.559280 0.648790 O\n0.220726 0.482801 0.964968 O\n0.459644 0.815608 0.238793 O\n0.206397 0.250656 0.063456 O\n0.793603 0.749343 0.936544 O\n0.830415 0.930895 0.383475 O\n0.974551 0.542481 0.747840 O\n0.025450 0.457519 0.252159 O\n0.911820 0.281114 0.838267 O\n0.169586 0.069105 0.616524 O\n0.616283 0.242390 0.359056 O\n0.732491 0.258026 0.077979 O\n0.729176 0.087554 0.615511 O\n0.383717 0.757609 0.640943 O\n0.362459 0.552726 0.779203 O\n0.779274 0.517199 0.035032 O\n0.194781 0.974435 0.129203 O\n0.637541 0.447273 0.220797 O\n0.112126 0.241159 0.366935 O\n0.540357 0.184391 0.761206 O\n0.731590 0.729473 0.171256 O\n0.270825 0.912446 0.384488 O\n0.787814 0.504470 0.485033 O\n0.398383 0.440719 0.351210 O\n0.805219 0.025564 0.870797 O\n0.887875 0.758840 0.633064 O\n0.268410 0.270527 0.828744 O\n0.212187 0.495529 0.514966 O\n0.088180 0.718885 0.161732 O\n0.325772 0.024204 0.874460 O\n",
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"formula_full": "Na4 Ca6 Si12 O32",
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{
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