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{
"id": "mp-581586",
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"structure_string": "Tl8 Sb21 As19 Pb4 S68\n1.0\n8.599675 0.000000 0.000000\n0.195694 17.042050 0.000000\n2.075445 1.902093 21.536697\nTl Sb As Pb S\n8 21 19 4 68\ndirect\n0.408347 0.729198 0.323147 Tl\n0.556038 0.274643 0.688144 Tl\n0.066307 0.776635 0.688202 Tl\n0.076901 0.281707 0.687868 Tl\n0.428887 0.235759 0.315548 Tl\n0.904592 0.229929 0.317989 Tl\n0.915376 0.736287 0.317529 Tl\n0.573604 0.785296 0.683303 Tl\n0.939083 0.163495 0.056888 Sb\n0.828505 0.004903 0.610637 Sb\n0.869591 0.342685 0.485424 Sb\n0.479515 0.842031 0.934019 Sb\n0.215682 0.833803 0.119863 Sb\n0.111754 0.170851 0.521062 Sb\n0.153010 0.509949 0.395045 Sb\n0.763103 0.679914 0.887106 Sb\n0.412164 0.492211 0.240701 Sb\n0.724277 0.491384 0.981339 Sb\n0.940412 0.663085 0.058440 Sb\n0.331544 0.500444 0.614043 Sb\n0.043831 0.527444 0.766567 Sb\n0.576827 0.022961 0.765171 Sb\n0.762709 0.183219 0.884561 Sb\n0.247677 0.676509 0.873123 Sb\n0.217076 0.336074 0.125030 Sb\n0.957263 0.979446 0.234545 Sb\n0.648805 0.014542 0.389133 Sb\n0.612840 0.670211 0.520664 Sb\n0.370057 0.844764 0.484515 Sb\n0.632816 0.157762 0.493701 As\n0.329345 0.999325 0.631492 As\n0.732826 0.997102 0.961217 As\n0.820811 0.496900 0.631831 As\n0.718257 0.327610 0.133058 As\n0.472648 0.346302 0.933577 As\n0.740249 0.828375 0.137153 As\n0.060704 0.850642 0.937268 As\n0.515011 0.166201 0.069055 As\n0.651824 0.514340 0.374145 As\n0.064486 0.349072 0.943286 As\n0.521406 0.673726 0.077039 As\n0.258722 0.017408 0.037562 As\n0.258709 0.523196 0.046199 As\n0.850139 0.856606 0.510487 As\n0.261445 0.186896 0.872415 As\n0.349638 0.355346 0.510712 As\n0.132636 0.658306 0.495076 As\n0.161143 0.014806 0.370877 As\n0.454665 0.003071 0.224846 Pb\n0.927409 0.493039 0.229116 Pb\n0.054437 0.021061 0.777710 Pb\n0.547460 0.513265 0.778050 Pb\n0.548986 0.089929 0.935627 S\n0.691565 0.372387 0.228292 S\n0.105765 0.279410 0.432470 S\n0.671966 0.596316 0.286938 S\n0.696988 0.579215 0.104254 S\n0.875049 0.234094 0.573869 S\n0.917083 0.239846 0.154869 S\n0.068197 0.280020 0.853610 S\n0.435130 0.427134 0.072215 S\n0.372993 0.934343 0.355588 S\n0.050279 0.781666 0.847627 S\n0.828818 0.735875 0.568200 S\n0.032904 0.906669 0.567982 S\n0.776753 0.130258 0.769200 S\n0.691807 0.076805 0.100068 S\n0.482288 0.762802 0.839126 S\n0.444094 0.108379 0.438556 S\n0.947755 0.072386 0.923713 S\n0.153416 0.778936 0.437217 S\n0.283988 0.098428 0.118922 S\n0.280486 0.433250 0.907813 S\n0.712956 0.922143 0.877192 S\n0.517820 0.749703 0.163805 S\n0.606020 0.781095 0.432057 S\n0.325511 0.235916 0.570394 S\n0.501079 0.243649 0.155651 S\n0.948693 0.607594 0.438327 S\n0.537632 0.592622 0.945001 S\n0.197912 0.757918 0.990686 S\n0.790295 0.931770 0.716841 S\n0.724346 0.876470 0.236408 S\n0.655158 0.278358 0.435644 S\n0.773254 0.762669 0.012582 S\n0.799480 0.629102 0.781353 S\n0.954336 0.934703 0.347428 S\n0.291887 0.427729 0.717670 S\n0.305632 0.916400 0.717711 S\n0.536148 0.405471 0.566627 S\n0.841562 0.094967 0.444768 S\n0.639854 0.920131 0.558873 S\n0.040937 0.944793 0.077683 S\n0.271518 0.934747 0.901354 S\n0.450418 0.432379 0.349679 S\n0.025531 0.577396 0.656174 S\n0.342637 0.595181 0.446019 S\n0.611278 0.578727 0.648070 S\n0.281754 0.144909 0.776815 S\n0.775126 0.255930 0.999752 S\n0.478998 0.269986 0.848376 S\n0.192066 0.582371 0.288584 S\n0.439426 0.925072 0.063935 S\n0.189469 0.880046 0.226882 S\n0.194580 0.262171 0.003225 S\n0.531417 0.081344 0.656054 S\n0.288502 0.603321 0.126767 S\n0.111777 0.077797 0.650548 S\n0.206738 0.383497 0.237278 S\n0.950928 0.575802 0.934501 S\n0.685820 0.087255 0.285681 S\n0.376779 0.733895 0.573059 S\n0.933850 0.738744 0.159152 S\n0.040183 0.451560 0.086224 S\n0.690671 0.414289 0.885135 S\n0.258266 0.633968 0.763022 S\n0.870016 0.436214 0.355727 S\n0.796169 0.419283 0.722064 S\n0.184480 0.091150 0.279913 S\n0.140716 0.420380 0.557573 S\n",
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"elements": [
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],
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"volume": 3156.334132559299,
"volume_molar": 15.839907026553833,
"formula_full": "Tl8 Sb21 As19 Pb4 S68",
"formula_reduced": "Tl8Sb21As19(PbS17)4",
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"updated_at": "2021-11-28T01:37:05.124000Z",
"spacegroup": 1
},
{
"id": "mp-1237121",
"created_at": "2022-09-04T14:46:33.573328Z",
"structure_string": "Na4 Ni1 H38 W6 O40\n1.0\n-8.022402 0.000000 0.000000\n-1.019340 -10.572223 0.000000\n3.922692 3.853075 11.132136\nNa Ni H W O\n4 1 38 6 40\ndirect\n0.219841 0.135220 0.419205 Na\n0.780159 0.864780 0.580795 Na\n0.393418 0.126512 0.190560 Na\n0.606582 0.873488 0.809440 Na\n0.000000 0.500000 0.000000 Ni\n0.210711 0.457880 0.206245 H\n0.789289 0.542120 0.793755 H\n0.943335 0.765203 0.050365 H\n0.056665 0.234797 0.949635 H\n0.328843 0.438721 0.975543 H\n0.671157 0.561279 0.024457 H\n0.239313 0.188611 0.660390 H\n0.760687 0.811389 0.339610 H\n0.434049 0.215311 0.676141 H\n0.565951 0.784689 0.323859 H\n0.883834 0.297458 0.474660 H\n0.116166 0.702542 0.525340 H\n0.844993 0.197750 0.346101 H\n0.155007 0.802250 0.653899 H\n0.019415 0.100554 0.160003 H\n0.980585 0.899446 0.839997 H\n0.083704 0.245509 0.228310 H\n0.916296 0.754491 0.771690 H\n0.580639 0.166788 0.447339 H\n0.419361 0.833212 0.552661 H\n0.565033 0.011265 0.379390 H\n0.434967 0.988735 0.620610 H\n0.354553 0.400495 0.557286 H\n0.645447 0.599505 0.442714 H\n0.204205 0.414803 0.445162 H\n0.795795 0.585197 0.554838 H\n0.347714 0.207716 0.971220 H\n0.652286 0.792284 0.028780 H\n0.308554 0.060086 0.960707 H\n0.691446 0.939914 0.039293 H\n0.745622 0.178394 0.158144 H\n0.254378 0.821606 0.841856 H\n0.776307 0.045000 0.193927 H\n0.223693 0.955000 0.806073 H\n0.491351 0.423645 0.260943 H\n0.508649 0.576355 0.739057 H\n0.408714 0.390274 0.349711 H\n0.591286 0.609726 0.650289 H\n0.151365 0.735221 0.277202 W\n0.848635 0.264779 0.722798 W\n0.302308 0.726098 0.047964 W\n0.697692 0.273902 0.952036 W\n0.136599 0.500274 0.768040 W\n0.863401 0.499726 0.231960 W\n0.106939 0.512039 0.177455 O\n0.893061 0.487961 0.822545 O\n0.043024 0.706663 0.073259 O\n0.956976 0.293337 0.926741 O\n0.234322 0.505720 0.962423 O\n0.765678 0.494280 0.037577 O\n0.348818 0.713540 0.207878 O\n0.651182 0.286460 0.792122 O\n0.166627 0.690758 0.874713 O\n0.833373 0.309242 0.125287 O\n0.087684 0.309706 0.732520 O\n0.912316 0.690294 0.267480 O\n0.278646 0.713521 0.415322 O\n0.721354 0.286479 0.584678 O\n0.119647 0.910547 0.314089 O\n0.880353 0.089453 0.685911 O\n0.293795 0.901902 0.077764 O\n0.706205 0.098098 0.922236 O\n0.520543 0.687054 0.035361 O\n0.479457 0.312946 0.964639 O\n0.342375 0.479171 0.737182 O\n0.657625 0.520829 0.262818 O\n0.988525 0.530134 0.639731 O\n0.011475 0.469866 0.360269 O\n0.335645 0.151834 0.625508 O\n0.664355 0.848166 0.374492 O\n0.940337 0.231459 0.420641 O\n0.059663 0.768541 0.579359 O\n0.118898 0.152915 0.221200 O\n0.881102 0.847085 0.778800 O\n0.503083 0.096615 0.380041 O\n0.496917 0.903385 0.619959 O\n0.317982 0.370590 0.469302 O\n0.682018 0.629410 0.530698 O\n0.266265 0.151999 0.984288 O\n0.733735 0.848001 0.015712 O\n0.691378 0.115115 0.181162 O\n0.308622 0.884885 0.818838 O\n0.396098 0.372587 0.263810 O\n0.603902 0.627413 0.736190 O\n",
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"formula_full": "Na4 Ni1 H38 W6 O40",
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{
"id": "mp-849562",
"created_at": "2022-09-04T14:39:18.483275Z",
"structure_string": "Mn8 V12 O48\n1.0\n9.012171 0.000000 0.000000\n0.000000 8.731932 0.000000\n0.000000 8.592449 12.276218\nMn V O\n8 12 48\ndirect\n0.974299 0.367966 0.883765 Mn\n0.474299 0.632034 0.616235 Mn\n0.028613 0.871634 0.380916 Mn\n0.528613 0.128366 0.119084 Mn\n0.471387 0.871634 0.880916 Mn\n0.971387 0.128366 0.619084 Mn\n0.525701 0.367966 0.383765 Mn\n0.025701 0.632034 0.116235 Mn\n0.751383 0.542584 0.490151 V\n0.618093 0.255355 0.852439 V\n0.887923 0.970470 0.141645 V\n0.118093 0.744645 0.647561 V\n0.387923 0.029530 0.358355 V\n0.251383 0.457416 0.009849 V\n0.748617 0.542584 0.990151 V\n0.612077 0.970470 0.641645 V\n0.881907 0.255355 0.352439 V\n0.112077 0.029530 0.858355 V\n0.381907 0.744645 0.147561 V\n0.248617 0.457416 0.509849 V\n0.124240 0.636947 0.443033 O\n0.107737 0.182388 0.898977 O\n0.340814 0.462267 0.613022 O\n0.429863 0.896670 0.182396 O\n0.627556 0.514750 0.587980 O\n0.811920 0.280083 0.844720 O\n0.564879 0.159088 0.984804 O\n0.005503 0.886698 0.251050 O\n0.709437 0.992588 0.175149 O\n0.840818 0.754787 0.429924 O\n0.526363 0.468866 0.766904 O\n0.026363 0.531134 0.733096 O\n0.942153 0.195778 0.035992 O\n0.442153 0.804222 0.464008 O\n0.340818 0.245213 0.070076 O\n0.209437 0.007412 0.324851 O\n0.064879 0.840912 0.515196 O\n0.505503 0.113302 0.248950 O\n0.311920 0.719917 0.655280 O\n0.127556 0.485250 0.912020 O\n0.840814 0.537733 0.886978 O\n0.607737 0.817612 0.601023 O\n0.929863 0.103330 0.317604 O\n0.624240 0.363053 0.056967 O\n0.375760 0.636947 0.943033 O\n0.070137 0.896670 0.682396 O\n0.392263 0.182388 0.398977 O\n0.159186 0.462267 0.113022 O\n0.872444 0.514750 0.087980 O\n0.688080 0.280083 0.344720 O\n0.494497 0.886698 0.751050 O\n0.935121 0.159088 0.484804 O\n0.790563 0.992588 0.675149 O\n0.659182 0.754787 0.929924 O\n0.557847 0.195778 0.535992 O\n0.057847 0.804222 0.964008 O\n0.973637 0.468866 0.266904 O\n0.473637 0.531134 0.233096 O\n0.159182 0.245213 0.570076 O\n0.290563 0.007412 0.824851 O\n0.994497 0.113302 0.748950 O\n0.435121 0.840912 0.015196 O\n0.188080 0.719917 0.155280 O\n0.372444 0.485250 0.412020 O\n0.570137 0.103330 0.817604 O\n0.659186 0.537733 0.386978 O\n0.892263 0.817612 0.101023 O\n0.875760 0.363053 0.556967 O\n",
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},
{
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"structure_string": "Nd4 Zn4 B20 O40\n1.0\n7.693818 0.000000 0.000000\n0.000000 8.782384 0.000000\n0.000000 8.325188 9.519956\nNd Zn B O\n4 4 20 40\ndirect\n0.183970 0.946756 0.236709 Nd\n0.683970 0.053244 0.263291 Nd\n0.816030 0.053244 0.763291 Nd\n0.316030 0.946756 0.736709 Nd\n0.411275 0.486221 0.123434 Zn\n0.911275 0.513779 0.376566 Zn\n0.588725 0.513779 0.876566 Zn\n0.088725 0.486221 0.623434 Zn\n0.578681 0.652505 0.261788 B\n0.185571 0.515850 0.914305 B\n0.685571 0.484150 0.585695 B\n0.814429 0.484150 0.085695 B\n0.314429 0.515850 0.414305 B\n0.901600 0.846613 0.500179 B\n0.401600 0.153387 0.999821 B\n0.098400 0.153387 0.499821 B\n0.598400 0.846613 0.000179 B\n0.078681 0.347495 0.238212 B\n0.421319 0.347495 0.738212 B\n0.921319 0.652505 0.761788 B\n0.326106 0.091788 0.392572 B\n0.826106 0.908212 0.107428 B\n0.673894 0.908212 0.607428 B\n0.173894 0.091788 0.892572 B\n0.532134 0.273227 0.445740 B\n0.032134 0.726773 0.054260 B\n0.467866 0.726773 0.554260 B\n0.967866 0.273227 0.945740 B\n0.212146 0.203017 0.266330 O\n0.653813 0.431349 0.068662 O\n0.153813 0.568651 0.431338 O\n0.346187 0.568651 0.931338 O\n0.846187 0.431349 0.568662 O\n0.453533 0.116811 0.116640 O\n0.953533 0.883189 0.383360 O\n0.546467 0.883189 0.883360 O\n0.712146 0.796983 0.233670 O\n0.046467 0.116811 0.616640 O\n0.287854 0.203017 0.766330 O\n0.787854 0.796983 0.733670 O\n0.534959 0.686753 0.131598 O\n0.034959 0.313247 0.368402 O\n0.465041 0.313247 0.868402 O\n0.965041 0.686753 0.631598 O\n0.414370 0.679099 0.308425 O\n0.914370 0.320901 0.191575 O\n0.585630 0.320901 0.691575 O\n0.085630 0.679099 0.808425 O\n0.650254 0.447321 0.367574 O\n0.150254 0.552679 0.132426 O\n0.349746 0.552679 0.632426 O\n0.849746 0.447321 0.867574 O\n0.473008 0.232536 0.353259 O\n0.973008 0.767464 0.146741 O\n0.526992 0.767464 0.646741 O\n0.026992 0.232536 0.853259 O\n0.393636 0.911619 0.417317 O\n0.893636 0.088381 0.082683 O\n0.606364 0.088381 0.582683 O\n0.125430 0.321987 0.990666 O\n0.226076 0.027722 0.514661 O\n0.726076 0.972278 0.985339 O\n0.773924 0.972278 0.485339 O\n0.273924 0.027722 0.014661 O\n0.374570 0.321987 0.490666 O\n0.874570 0.678013 0.009334 O\n0.625430 0.678013 0.509334 O\n0.106364 0.911619 0.917317 O\n",
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},
{
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{
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"structure_string": "Sr2 La14 Mg4 Ga12 O43\n1.0\n4.845673 0.005667 2.734729\n1.611804 4.585172 2.742662\n-0.241566 -0.025109 44.341701\nSr La Mg Ga O\n2 14 4 12 43\ndirect\n0.272105 0.759771 0.090386 Sr\n0.249196 0.725917 0.227643 Sr\n0.758792 0.272542 0.026158 La\n0.735715 0.286433 0.154922 La\n0.256207 0.744486 0.342861 La\n0.740208 0.241745 0.286691 La\n0.241029 0.751176 0.468822 La\n0.739181 0.260761 0.405766 La\n0.249211 0.748211 0.593510 La\n0.745910 0.253416 0.530751 La\n0.250923 0.749084 0.718234 La\n0.751224 0.253679 0.655269 La\n0.253093 0.749049 0.842654 La\n0.751572 0.254259 0.780033 La\n0.260101 0.746699 0.966596 La\n0.751695 0.258137 0.904137 La\n0.557269 0.958782 0.124670 Mg\n0.548636 0.970128 0.252941 Mg\n0.961347 0.549739 0.061095 Mg\n0.941602 0.578122 0.188007 Mg\n0.509012 0.994361 0.998637 Ga\n0.493638 0.002932 0.499884 Ga\n0.483986 0.998966 0.376100 Ga\n0.021572 0.470085 0.315390 Ga\n0.500382 0.000610 0.624648 Ga\n0.984950 0.505302 0.437622 Ga\n0.998430 0.501223 0.562199 Ga\n0.502896 0.004154 0.873533 Ga\n0.501603 0.001678 0.749307 Ga\n0.000761 0.501478 0.687019 Ga\n0.002663 0.502238 0.811519 Ga\n0.005822 0.504884 0.935511 Ga\n0.309135 0.683152 0.031018 O\n0.721982 0.284163 0.102222 O\n0.295110 0.694257 0.163981 O\n0.832282 0.704373 0.019504 O\n0.248493 0.175973 0.288545 O\n0.686647 0.880013 0.080347 O\n0.804438 0.253029 0.226826 O\n0.306505 0.681888 0.283444 O\n0.873748 0.647477 0.145257 O\n0.221958 0.180162 0.415721 O\n0.638856 0.913525 0.206813 O\n0.173748 0.261234 0.477159 O\n0.675650 0.297983 0.349348 O\n0.302442 0.681530 0.406584 O\n0.814323 0.669775 0.279687 O\n0.245775 0.176814 0.540550 O\n0.735807 0.809085 0.337539 O\n0.182344 0.259433 0.601976 O\n0.671028 0.320884 0.471037 O\n0.313698 0.684152 0.530546 O\n0.806693 0.733378 0.398598 O\n0.250762 0.177562 0.665144 O\n0.737283 0.833618 0.459176 O\n0.182545 0.260301 0.726799 O\n0.682023 0.317642 0.594961 O\n0.317641 0.683622 0.655375 O\n0.814465 0.741392 0.522644 O\n0.251852 0.178018 0.789711 O\n0.748186 0.824060 0.584434 O\n0.186308 0.263413 0.850928 O\n0.683537 0.318501 0.719656 O\n0.318950 0.685140 0.779868 O\n0.818908 0.741606 0.647472 O\n0.257835 0.178948 0.913858 O\n0.750029 0.825523 0.709093 O\n0.196295 0.275726 0.974495 O\n0.687562 0.317712 0.844336 O\n0.316510 0.691075 0.903952 O\n0.819728 0.742257 0.772132 O\n0.750492 0.826059 0.833581 O\n0.699891 0.311118 0.969789 O\n0.820591 0.734155 0.896474 O\n0.739214 0.831224 0.957281 O\n",
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{
"id": "mp-774324",
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"structure_string": "Li12 Mn2 Fe10 B12 O36\n1.0\n12.543983 0.000000 0.000000\n0.000000 8.255360 0.000000\n0.000000 4.123127 7.152250\nLi Mn Fe B O\n12 2 10 12 36\ndirect\n0.125966 0.983595 0.301471 Li\n0.874034 0.983595 0.301471 Li\n0.624863 0.983410 0.302047 Li\n0.375137 0.983410 0.302047 Li\n0.125432 0.301318 0.715412 Li\n0.375152 0.302162 0.714311 Li\n0.624848 0.302162 0.714311 Li\n0.874568 0.301318 0.715412 Li\n0.375006 0.714567 0.983847 Li\n0.624994 0.714567 0.983847 Li\n0.125576 0.714148 0.984259 Li\n0.874424 0.714148 0.984259 Li\n0.000000 0.359447 0.012150 Mn\n0.000000 0.011972 0.628855 Mn\n0.500000 0.360249 0.007706 Fe\n0.251433 0.360798 0.007594 Fe\n0.748567 0.360798 0.007594 Fe\n0.500000 0.007710 0.632500 Fe\n0.251363 0.007792 0.631648 Fe\n0.748637 0.007792 0.631648 Fe\n0.500000 0.632581 0.359618 Fe\n0.000000 0.634486 0.358170 Fe\n0.249758 0.632328 0.359783 Fe\n0.750242 0.632328 0.359783 Fe\n0.000000 0.997807 0.000590 B\n0.250504 0.999930 0.000126 B\n0.500000 0.000155 0.999970 B\n0.749496 0.999930 0.000126 B\n0.872255 0.666631 0.665456 B\n0.127745 0.666631 0.665456 B\n0.375829 0.666585 0.666472 B\n0.624171 0.666585 0.666472 B\n0.126771 0.334030 0.333979 B\n0.375195 0.333467 0.333201 B\n0.624805 0.333467 0.333201 B\n0.873229 0.334030 0.333979 B\n0.250598 0.914821 0.194408 O\n0.000000 0.917669 0.195293 O\n0.500000 0.915070 0.194449 O\n0.749402 0.914821 0.194408 O\n0.874860 0.580249 0.557646 O\n0.125140 0.580249 0.557646 O\n0.375086 0.580810 0.557965 O\n0.624914 0.580810 0.557965 O\n0.000000 0.191457 0.886637 O\n0.500000 0.194349 0.890809 O\n0.749118 0.194310 0.890920 O\n0.250882 0.194310 0.890920 O\n0.871683 0.860642 0.579479 O\n0.623885 0.860820 0.580770 O\n0.128317 0.860642 0.579479 O\n0.376115 0.860820 0.580770 O\n0.871919 0.558907 0.859601 O\n0.128081 0.558907 0.859601 O\n0.623975 0.558480 0.860813 O\n0.376025 0.558480 0.860813 O\n0.127215 0.253393 0.220374 O\n0.624589 0.254606 0.217952 O\n0.375411 0.254606 0.217952 O\n0.872785 0.253393 0.220374 O\n0.000000 0.882854 0.922101 O\n0.250715 0.890674 0.914916 O\n0.500000 0.890760 0.915105 O\n0.749285 0.890674 0.914916 O\n0.124931 0.527705 0.254032 O\n0.374746 0.527203 0.254682 O\n0.625254 0.527203 0.254682 O\n0.875069 0.527705 0.254032 O\n0.375521 0.218192 0.527118 O\n0.127107 0.220145 0.527741 O\n0.624479 0.218192 0.527118 O\n0.872893 0.220145 0.527741 O\n",
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{
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}
]
}