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{
"id": "jvasp-98425",
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"structure_string": "Zr2 H12 O6 F8\n1.0\n5.605510 0.064882 -1.480714\n-3.345140 5.846706 -0.118323\n0.100207 -0.006181 7.627826\nZr H O F\n2 12 6 8\ndirect\n0.736073 0.848759 0.781756 Zr\n0.263928 0.151242 0.218245 Zr\n0.171888 0.660350 0.766412 H\n0.705794 0.447334 0.069313 H\n0.294207 0.552667 0.930688 H\n0.451626 0.836202 0.337951 H\n0.548375 0.163799 0.662051 H\n0.828112 0.339650 0.233589 H\n0.417734 0.068532 0.827620 H\n0.217785 0.460173 0.440629 H\n0.782216 0.539827 0.559372 H\n0.016863 0.217806 0.483465 H\n0.983137 0.782195 0.516536 H\n0.582267 0.931469 0.172381 H\n0.666956 0.353492 0.168029 O\n0.333045 0.646509 0.831973 O\n0.448339 0.922560 0.234976 O\n0.075722 0.301479 0.381416 O\n0.924278 0.698521 0.618586 O\n0.551661 0.077440 0.765025 O\n0.460084 0.711328 0.522196 F\n0.748538 0.585032 0.896782 F\n0.251462 0.414969 0.103220 F\n0.176645 0.007033 0.939752 F\n0.823355 -0.007033 0.060249 F\n0.943610 0.104198 0.651621 F\n0.056391 0.895802 0.348381 F\n0.539917 0.288673 0.477806 F\n",
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{
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"structure_string": "Ga2 H8 N2 F8\n1.0\n4.954401 0.000000 -1.884499\n-0.716805 4.902273 -1.884499\n-0.008341 -0.009650 7.432950\nGa H N F\n2 8 2 8\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 -0.000000 Ga\n0.314384 0.591094 0.405478 H\n0.814384 0.314383 0.405478 H\n0.591095 0.091095 0.405478 H\n0.091096 0.814383 0.405478 H\n0.185617 0.685616 0.594522 H\n0.685617 0.408905 0.594521 H\n0.908905 0.185616 0.594521 H\n0.408906 0.908905 0.594521 H\n0.250001 0.750000 0.500000 N\n0.750000 0.250000 0.500000 N\n0.681214 0.181213 -0.000000 F\n0.854659 0.854657 0.709317 F\n0.354658 0.354658 0.709317 F\n0.145342 0.145342 0.290683 F\n0.181214 0.318786 -0.000000 F\n0.818787 0.681213 -0.000000 F\n0.318787 0.818786 -0.000000 F\n0.645343 0.645342 0.290683 F\n",
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{
"id": "jvasp-101797",
"created_at": "2022-09-04T14:37:05.991598Z",
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"structure_string": "H16 C24 O4\n1.0\n3.803022 0.044288 0.009771\n1.635938 8.376629 0.705293\n-0.053831 0.124021 12.494047\nH C O\n16 24 4\ndirect\n0.019350 0.992500 0.955028 H\n0.346789 0.414141 0.755517 H\n0.846785 0.414142 0.255517 H\n0.262156 0.705361 0.013500 H\n-0.019093 0.232670 0.413495 H\n0.480904 0.232670 0.913495 H\n0.065502 0.941468 0.155524 H\n0.565505 0.941467 0.655524 H\n0.762158 0.705361 0.513500 H\n0.470214 0.062795 0.085625 H\n0.308337 0.654332 0.214001 H\n0.808337 0.654331 0.714001 H\n0.357495 0.584010 0.583387 H\n0.857492 0.584010 0.083387 H\n0.519350 0.992500 0.455028 H\n0.970216 0.062796 0.585625 H\n0.659509 0.229033 0.180697 C\n0.159512 0.229033 0.680697 C\n0.195532 0.917450 0.903156 C\n0.695532 0.917450 0.403156 C\n0.769991 0.470622 0.083845 C\n0.831635 0.756445 0.435513 C\n0.331634 0.756445 0.935513 C\n0.765424 0.375715 0.180350 C\n0.265426 0.375714 0.680350 C\n0.051581 0.661996 0.366531 C\n0.269994 0.470621 0.583844 C\n0.551581 0.661996 0.866531 C\n0.132142 0.729380 0.265871 C\n0.668154 0.417785 0.988316 C\n0.776079 0.984834 0.302493 C\n0.276080 0.984834 0.802493 C\n0.057695 0.176192 0.585168 C\n0.557692 0.176192 0.085169 C\n0.632142 0.729380 0.765871 C\n0.062257 0.271099 0.488662 C\n0.562255 0.271099 0.988662 C\n0.996030 0.890386 0.233512 C\n0.496032 0.890386 0.733512 C\n0.168156 0.417784 0.488316 C\n0.694001 0.499381 0.887861 O\n0.633630 0.147448 0.281156 O\n0.133633 0.147448 0.781155 O\n0.194003 0.499381 0.387860 O\n",
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{
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"created_at": "2022-09-04T14:38:45.872464Z",
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"structure_string": "Li2 B1 O3\n1.0\n4.104637 -2.366583 -0.068893\n4.104637 2.366583 -0.068893\n-0.172381 0.000000 2.787977\nLi B O\n2 1 3\ndirect\n0.827067 0.827067 0.908846 Li\n0.172934 0.172934 0.091158 Li\n0.500001 0.500001 0.500002 B\n0.642471 0.642471 0.341468 O\n1.000001 1.000001 0.500003 O\n0.357530 0.357530 0.658537 O\n",
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{
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"created_at": "2022-09-04T14:36:49.687433Z",
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"structure_string": "Li3 Ta1 O4\n1.0\n5.821274 -0.000000 0.000000\n5.821274 5.157194 0.081864\n2.910637 3.476739 2.458353\nLi Ta O\n3 1 4\ndirect\n0.500000 0.000000 0.000000 Li\n0.249997 0.500000 -0.000001 Li\n0.750002 0.500000 -0.000001 Li\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500001 0.499998 O\n0.227516 0.000021 0.544928 O\n-0.000000 0.500001 0.499998 O\n0.772484 -0.000020 0.455071 O\n",
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{
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"updated_at": "2022-09-04T14:37:29.298456Z",
"structure_string": "Al6 Cr2 O12\n1.0\n0.000000 5.222227 -0.002195\n4.858534 0.000000 0.000000\n0.000000 -0.707719 -7.108771\nAl Cr O\n6 2 12\ndirect\n0.294587 0.998216 0.853031 Al\n0.800038 0.497931 0.850134 Al\n0.205058 0.497655 0.646483 Al\n0.294587 0.001783 0.353031 Al\n0.800039 0.502068 0.350134 Al\n0.205058 0.502344 0.146483 Al\n0.699951 0.998015 0.649800 Cr\n0.699951 0.001984 0.149800 Cr\n0.153502 0.343726 0.402970 O\n0.851929 0.361284 0.095693 O\n0.646556 0.163686 0.398291 O\n0.499596 0.690316 0.253601 O\n0.009515 0.199046 0.755120 O\n0.851929 0.638715 0.595693 O\n0.339270 0.846116 0.594878 O\n0.153502 0.656273 0.902970 O\n0.009515 0.800953 0.255120 O\n0.646556 0.836313 0.898291 O\n0.499596 0.309683 0.753601 O\n0.339270 0.153883 0.094878 O\n",
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},
{
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"created_at": "2022-09-04T14:37:42.911007Z",
"updated_at": "2022-09-04T14:37:42.911020Z",
"structure_string": "Fe14 C6\n1.0\n3.408169 -5.903121 -0.000000\n3.408169 5.903121 -0.000000\n0.000000 0.000000 4.482885\nFe C\n14 6\ndirect\n0.454460 0.908920 0.683355 Fe\n0.333333 0.666667 0.188403 Fe\n0.666667 0.333333 0.688403 Fe\n0.454460 0.545540 0.683355 Fe\n0.545540 0.091081 0.183354 Fe\n0.091081 0.545540 0.683355 Fe\n0.877191 0.122810 0.510734 Fe\n0.908920 0.454460 0.183354 Fe\n0.754383 0.877191 0.010733 Fe\n0.245618 0.122809 0.510734 Fe\n0.877191 0.754383 0.510734 Fe\n0.122810 0.877191 0.010733 Fe\n0.545540 0.454460 0.183354 Fe\n0.122809 0.245618 0.010733 Fe\n0.813197 0.626394 0.905779 C\n0.813197 0.186803 0.905779 C\n0.186803 0.373606 0.405779 C\n0.626394 0.813197 0.405779 C\n0.373606 0.186803 0.905779 C\n0.186803 0.813197 0.405779 C\n",
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{
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"structure_string": "Li8 Mn4 O8 F4\n1.0\n2.907935 4.252172 -0.058339\n-2.907935 4.252172 0.058339\n-3.074682 0.000000 8.814670\nLi Mn O F\n8 4 8 4\ndirect\n0.119571 0.631466 0.728227 Li\n0.368533 0.880428 0.228227 Li\n0.042308 0.189925 0.606002 Li\n0.210006 0.045042 0.911178 Li\n0.810074 0.957692 0.106002 Li\n0.954958 0.789994 0.411178 Li\n0.615916 0.122796 0.745655 Li\n0.877204 0.384084 0.245655 Li\n0.455753 0.299909 0.416102 Mn\n0.294560 0.454121 0.093161 Mn\n0.700091 0.544246 0.916102 Mn\n0.545879 0.705440 0.593161 Mn\n0.376352 0.854950 0.760195 O\n0.748891 0.955411 0.573488 O\n0.333442 0.468965 0.572368 O\n0.145049 0.623648 0.260195 O\n0.861470 0.407078 0.756194 O\n0.044588 0.251108 0.073488 O\n0.531034 0.666557 0.072368 O\n0.592921 0.138530 0.256194 O\n0.745082 0.530880 0.413561 F\n0.469120 0.254917 0.913561 F\n0.966628 0.809432 0.923870 F\n0.190567 0.033372 0.423870 F\n",
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{
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"updated_at": "2022-09-04T14:36:00.339904Z",
"structure_string": "Li4 Mn1 V3 O8\n1.0\n5.870741 0.005424 -0.000624\n-0.006042 5.904894 -0.041132\n-2.931950 -2.960084 4.184767\nLi Mn V O\n4 1 3 8\ndirect\n0.501021 0.996018 0.493563 Li\n0.001060 0.996028 0.493550 Li\n0.501018 0.496025 0.993584 Li\n0.001000 0.496004 0.993544 Li\n0.000980 0.995978 0.993523 Mn\n0.500964 0.995949 0.993497 V\n0.001016 0.496002 0.493541 V\n0.500962 0.495992 0.493536 V\n0.261232 0.241531 0.008243 O\n0.755452 0.241579 0.008261 O\n0.755416 0.735695 0.502350 O\n0.255733 0.741288 0.502983 O\n0.746207 0.250707 0.484012 O\n0.246561 0.256258 0.484731 O\n0.246526 0.750371 0.978815 O\n0.740729 0.750417 0.978818 O\n",
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"structure_string": "Eu2 H6 O6\n1.0\n6.341205 0.000226 0.000000\n-3.170406 5.491584 0.000000\n0.000000 0.000000 3.627153\nEu H O\n2 6 6\ndirect\n0.333326 0.666653 0.250000 Eu\n0.666674 0.333347 0.749999 Eu\n0.862629 0.726905 0.250000 H\n0.864242 0.137365 0.250000 H\n0.273150 0.135753 0.250000 H\n0.137371 0.273095 0.749999 H\n0.135758 0.862635 0.749999 H\n0.726850 0.864247 0.749999 H\n0.917434 0.607845 0.250000 O\n0.690387 0.082559 0.250000 O\n0.392175 0.309617 0.250000 O\n0.082566 0.392155 0.749999 O\n0.309613 0.917441 0.749999 O\n0.607825 0.690383 0.749999 O\n",
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"structure_string": "C3 N4\n1.0\n5.026988 0.039108 -2.723116\n-0.119949 2.268880 -5.246456\n-0.168350 -0.039108 5.714685\nC N\n3 4\ndirect\n0.719284 -0.000000 0.719284 C\n0.235963 0.130668 0.105295 C\n0.974628 0.869333 0.105294 C\n0.975719 -0.000000 0.975719 N\n0.975738 0.310230 0.665509 N\n0.355279 0.689770 0.665508 N\n0.603030 0.500000 0.103030 N\n",
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}