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{
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"structure_string": "Sn2 H24 C12 F4\n1.0\n4.298146 -0.084899 0.184445\n1.841660 4.274635 0.420405\n-0.146680 0.136543 18.727665\nSn H C F\n2 24 12 4\ndirect\n0.064248 0.808992 0.528776 Sn\n0.201100 0.002520 0.024003 Sn\n0.523154 0.121310 0.906698 H\n0.087872 0.348805 0.906793 H\n0.014592 0.822797 0.879524 H\n0.434689 0.705779 0.851147 H\n0.369062 0.268852 0.422814 H\n0.851562 0.782706 0.400139 H\n0.132627 0.980064 0.392689 H\n0.118095 0.400177 0.301513 H\n0.559765 0.225203 0.296343 H\n0.146590 0.926233 0.274500 H\n0.587559 0.753419 0.269095 H\n0.626308 0.477620 0.401930 H\n0.267924 0.203365 0.766889 H\n0.856201 0.312160 0.800570 H\n0.459787 0.554922 0.728833 H\n0.434586 0.864183 0.665329 H\n0.985605 0.493349 0.649036 H\n0.090662 0.639510 0.172349 H\n0.407757 0.355832 0.618471 H\n0.530740 0.473256 0.163846 H\n0.558393 -0.000895 0.137363 H\n0.120581 0.179406 0.153326 H\n0.843523 0.810879 0.754238 H\n0.820245 0.119030 0.690102 H\n0.351608 0.437465 0.310629 C\n0.206195 0.912043 0.858916 C\n0.102240 0.766965 0.415176 C\n0.378583 0.474393 0.390743 C\n0.274263 0.109586 0.912317 C\n0.354889 0.713864 0.260519 C\n0.322765 0.679167 0.180763 C\n0.290052 0.730524 0.689673 C\n0.988366 0.944732 0.729654 C\n0.318758 0.968992 0.135660 C\n0.195673 0.562560 0.632999 C\n0.080226 0.109548 0.787761 C\n0.698578 0.251852 0.026914 F\n0.887517 0.276117 0.532945 F\n0.535030 0.904469 0.530667 F\n0.051485 0.632734 0.022034 F\n",
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{
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"structure_string": "H16 C22 S2 O2\n1.0\n3.763735 -0.207386 0.321278\n0.610152 8.320106 1.999896\n-0.153482 -0.594092 12.786773\nH C S O\n16 22 2 2\ndirect\n0.243291 0.427803 0.860466 H\n0.430872 0.669867 0.236462 H\n0.431039 0.669832 0.736497 H\n0.815516 0.709397 0.087488 H\n0.026889 0.953722 0.464950 H\n0.027091 0.953722 0.964963 H\n0.386522 0.944658 0.124742 H\n0.386686 0.944622 0.624753 H\n0.815389 0.709372 0.587470 H\n0.909510 0.490140 0.210962 H\n0.671946 0.212346 0.808289 H\n0.671363 0.212414 0.308285 H\n0.773479 0.891633 0.696888 H\n0.773308 0.891658 0.196872 H\n0.243212 0.427822 0.360434 H\n0.909907 0.490095 0.710938 H\n0.072770 0.836755 0.444125 C\n0.017568 0.549367 0.984087 C\n0.017489 0.549374 0.484055 C\n0.246331 0.827561 0.844662 C\n0.300505 0.680047 0.813745 C\n0.189576 0.542665 0.884053 C\n0.189470 0.542670 0.384024 C\n0.300349 0.680066 0.313721 C\n0.072938 0.836758 0.944142 C\n0.246171 0.827583 0.344641 C\n0.959003 0.700272 0.511853 C\n0.898645 0.409743 0.060490 C\n0.548916 0.977776 0.685159 C\n0.548751 0.977794 0.185150 C\n0.672937 0.144726 0.654184 C\n0.672787 0.144757 0.154182 C\n0.898652 0.409725 0.560467 C\n0.723401 0.246269 0.722571 C\n0.723039 0.246315 0.222574 C\n0.848596 0.395782 0.669705 C\n0.848326 0.395817 0.169716 C\n0.959137 0.700281 0.011872 C\n0.780237 0.234548 0.023460 S\n0.780091 0.234556 0.523447 S\n0.343984 0.971269 0.785130 O\n0.343817 0.971286 0.285119 O\n",
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{
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"structure_string": "Sn2 H24 C12 F4\n1.0\n4.639074 -0.126526 0.019742\n0.765175 6.263458 1.044732\n-0.352551 0.086430 13.710184\nSn H C F\n2 24 12 4\ndirect\n0.260777 0.258116 0.470932 Sn\n0.778902 0.332947 0.976214 Sn\n0.627616 0.372666 0.160161 H\n0.534086 0.613586 0.075866 H\n0.068814 0.680105 0.072760 H\n0.142198 0.459487 0.169428 H\n0.957860 0.169595 0.690500 H\n0.424116 0.333896 0.643024 H\n0.584319 0.079504 0.627605 H\n0.315999 0.749158 0.678535 H\n-0.004561 0.853337 0.609698 H\n0.044310 0.737608 0.837398 H\n0.723750 0.841757 0.768554 H\n0.249362 0.063352 0.773315 H\n0.820502 0.641991 0.279634 H\n0.711709 0.848656 0.178696 H\n0.970969 0.911067 0.374278 H\n0.897659 0.131720 0.277625 H\n0.505715 0.977602 0.371228 H\n0.081921 0.421312 0.756632 H\n0.412183 0.218588 0.286980 H\n0.790429 0.527508 0.673805 H\n0.615732 0.256991 0.804139 H\n0.455422 0.511402 0.819487 H\n0.328195 0.742573 0.268357 H\n0.219411 0.949248 0.167422 H\n0.109663 0.848051 0.681860 C\n0.974814 0.586184 0.136621 C\n0.377865 0.178218 0.626181 C\n0.165878 0.071630 0.696331 C\n0.710514 0.489418 0.102338 C\n0.930093 0.742869 0.765237 C\n0.873897 0.519272 0.750788 C\n0.065027 0.005015 0.310438 C\n0.145727 0.856625 0.236103 C\n0.661908 0.412712 0.820948 C\n0.329273 0.101770 0.344771 C\n0.894176 0.734602 0.210948 C\n0.229720 0.324510 0.974751 F\n0.253515 0.571880 0.444656 F\n0.809973 0.266598 0.472445 F\n0.786138 0.019187 0.002429 F\n",
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"formula_full": "Sn2 H24 C12 F4",
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{
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"created_at": "2022-09-04T14:37:01.619088Z",
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"structure_string": "Cu6 B12 O24\n1.0\n5.348850 0.000000 1.855274\n2.674425 8.184911 0.927637\n-0.007785 0.000000 8.660588\nCu B O\n6 12 24\ndirect\n0.500000 -0.000000 -0.000000 Cu\n0.206874 0.168126 0.668126 Cu\n0.125000 0.668126 0.831875 Cu\n0.625000 0.331874 0.168126 Cu\n0.043126 0.831874 0.331874 Cu\n0.750000 0.500000 0.500000 Cu\n0.367728 0.832551 0.537686 B\n0.737964 0.167449 0.462315 B\n0.882272 0.962315 0.667449 B\n0.625937 0.749063 0.249063 B\n0.155413 0.332551 0.962315 B\n0.512035 0.037685 0.332551 B\n0.125000 0.249063 0.250937 B\n0.625000 0.750937 0.749063 B\n0.624063 0.250937 0.750937 B\n0.799720 0.462315 0.832551 B\n0.450280 0.667449 0.037685 B\n0.094587 0.537685 0.167449 B\n0.234485 0.386271 0.238417 O\n0.859173 0.613729 0.761583 O\n0.334878 0.089394 0.229754 O\n0.654027 0.910606 0.770246 O\n0.575728 0.770246 0.089394 O\n0.372659 0.002341 0.502341 O\n0.595973 0.729754 0.589394 O\n0.435367 0.229754 0.910606 O\n0.527097 0.238417 0.613729 O\n0.722903 0.886270 0.261583 O\n0.015515 0.261583 0.113729 O\n0.390827 0.738417 0.886271 O\n0.870755 0.113729 0.738417 O\n0.625000 0.165828 0.334172 O\n0.209173 0.665828 0.165828 O\n0.125000 0.834172 0.665828 O\n0.814633 0.589394 0.270246 O\n0.125000 0.502341 0.997660 O\n0.625000 0.497659 0.002341 O\n0.877341 0.997659 0.497659 O\n0.674272 0.410606 0.729754 O\n0.915122 0.270246 0.410606 O\n0.379245 0.761583 0.386271 O\n0.040828 0.334172 0.834172 O\n",
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{
"id": "jvasp-101975",
"created_at": "2022-09-04T14:37:50.478303Z",
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"structure_string": "Sn2 H24 C12 F4\n1.0\n4.258250 0.055769 -0.211701\n-1.729121 4.304232 -0.091547\n0.194417 -0.015877 19.019004\nSn H C F\n2 24 12 4\ndirect\n0.920785 0.984456 0.476282 Sn\n0.383484 0.829000 0.960756 Sn\n0.519507 0.614505 0.082416 H\n0.078987 0.479804 0.061731 H\n0.079259 0.014568 0.099005 H\n0.508144 0.128267 0.125805 H\n0.365388 0.185292 0.673014 H\n0.282384 0.407925 0.565524 H\n0.868061 0.272812 0.595700 H\n0.711828 0.638442 0.637857 H\n0.755037 0.941966 0.699315 H\n0.777595 0.440297 0.749705 H\n0.172214 0.525680 0.713156 H\n0.317878 0.883429 0.611224 H\n0.364560 0.700861 0.212156 H\n0.936067 0.587588 0.184647 H\n0.223562 0.796734 0.337894 H\n0.794534 0.682959 0.311200 H\n0.783504 0.196979 0.354404 H\n-0.008004 0.935688 0.821414 H\n0.224092 0.331908 0.374917 H\n0.394896 0.022966 0.788482 H\n0.452333 0.553830 0.840930 H\n0.026961 0.423425 0.864726 H\n0.366245 0.223314 0.252157 H\n0.937670 0.109830 0.224714 H\n0.892068 0.805976 0.675724 C\n0.271241 0.926349 0.119425 C\n0.073181 0.200718 0.579530 C\n0.182459 0.019090 0.635252 C\n0.309169 0.687287 0.067266 C\n0.000468 0.632745 0.733855 C\n0.165093 0.830055 0.800774 C\n0.031486 0.884860 0.317481 C\n0.129408 0.020955 0.245348 C\n0.248051 0.630509 0.855838 C\n0.993913 0.124307 0.369582 C\n0.172948 0.789864 0.191510 C\n0.911767 0.930241 0.960302 F\n0.392889 0.882673 0.476744 F\n0.750091 0.515593 0.476317 F\n0.554993 0.297879 0.960952 F\n",
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{
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"created_at": "2022-09-04T14:37:37.551099Z",
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"structure_string": "Sr10 Cr6 O24 F2\n1.0\n4.996775 -8.654668 0.000000\n4.996775 8.654668 -0.000000\n-0.000000 -0.000000 7.465488\nSr Cr O F\n10 6 24 2\ndirect\n0.250278 0.010843 0.250000 Sr\n0.760565 0.749721 0.250000 Sr\n0.010843 0.760566 0.750000 Sr\n0.239434 0.250278 0.750000 Sr\n0.749721 0.989156 0.750000 Sr\n0.989156 0.239433 0.250000 Sr\n0.333332 0.666667 0.499513 Sr\n0.666667 0.333332 -0.000487 Sr\n0.666667 0.333332 0.500487 Sr\n0.333332 0.666667 0.000487 Sr\n0.600909 0.968912 0.250000 Cr\n0.631996 0.600909 0.750000 Cr\n0.968912 0.368003 0.750000 Cr\n0.368003 0.399090 0.250000 Cr\n0.031087 0.631996 0.250000 Cr\n0.399090 0.031087 0.750000 Cr\n0.657342 0.906986 0.067110 O\n0.126759 0.529144 0.250000 O\n0.402383 0.873240 0.250000 O\n0.750356 0.657343 0.567110 O\n0.481800 0.315534 0.250000 O\n0.833733 0.518199 0.250000 O\n0.166266 0.481800 0.750000 O\n0.518199 0.684465 0.750000 O\n0.684465 0.166265 0.250000 O\n0.470855 0.597616 0.250000 O\n0.597616 0.126759 0.750000 O\n0.529144 0.402383 0.750000 O\n0.906986 0.249643 0.932890 O\n0.093013 0.750356 0.067110 O\n0.249643 0.342656 0.067110 O\n0.342657 0.093013 0.567110 O\n0.342657 0.093013 0.932890 O\n0.249643 0.342656 0.432890 O\n0.093013 0.750356 0.432890 O\n0.750356 0.657343 0.932890 O\n0.657342 0.906986 0.432890 O\n0.873240 0.470855 0.750000 O\n0.315534 0.833734 0.750000 O\n0.906986 0.249643 0.567110 O\n0.000000 0.000000 0.250000 F\n0.000000 0.000000 0.750000 F\n",
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{
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"created_at": "2022-09-04T14:37:43.081342Z",
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"structure_string": "Ca10 As6 O24 F2\n1.0\n-7.013699 -0.044991 -0.046609\n-0.171886 -9.604162 0.017067\n0.313265 4.769583 8.470602\nCa As O F\n10 6 24 2\ndirect\n0.995377 0.358284 0.703925 Ca\n0.004624 0.641716 0.296075 Ca\n0.770278 0.225391 -0.006285 Ca\n0.269558 0.251837 0.248856 Ca\n0.730444 0.748162 0.751144 Ca\n0.498615 0.690419 0.345722 Ca\n0.501387 0.309581 0.654278 Ca\n0.741052 0.008964 0.244071 Ca\n0.258949 0.991036 0.755930 Ca\n0.229723 0.774609 0.006285 Ca\n0.764723 0.387269 0.370449 As\n0.766523 0.974425 0.604612 As\n0.721553 0.627466 0.024497 As\n0.235279 0.612730 0.629551 As\n0.233478 0.025574 0.395388 As\n0.278449 0.372534 0.975503 As\n0.448436 0.098383 0.377470 O\n0.781982 0.308099 0.494448 O\n0.200338 0.124194 0.596271 O\n0.285888 0.483986 0.880086 O\n0.714113 0.516014 0.119914 O\n0.706967 0.587145 0.468868 O\n0.241390 0.822246 0.308024 O\n0.452527 0.228528 0.896288 O\n0.293035 0.412855 0.531132 O\n0.547474 0.771472 0.103712 O\n0.799664 0.875806 0.403729 O\n0.398214 0.730549 0.775632 O\n0.711699 0.520359 0.822129 O\n0.062751 0.276053 0.915146 O\n0.218019 0.691901 0.505553 O\n0.929655 0.925200 0.709546 O\n0.034790 0.628149 0.733771 O\n0.758612 0.177754 0.691976 O\n0.288302 0.479641 0.177871 O\n0.601788 0.269451 0.224368 O\n0.551566 0.901617 0.622531 O\n0.937250 0.723947 0.084854 O\n0.070346 0.074799 0.290454 O\n0.965212 0.371851 0.266229 O\n0.756682 0.978474 0.992145 F\n0.243319 0.021526 0.007855 F\n",
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{
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