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{
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{
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"structure_string": "U2 H24 N4 O28\n1.0\n6.368628 3.924644 0.000000\n-6.368628 3.924644 0.000000\n-0.000000 0.000000 11.192078\nU H N O\n2 24 4 28\ndirect\n0.863536 0.863536 0.749542 U\n0.136463 0.136463 0.249542 U\n0.090986 0.618829 0.019035 H\n0.381170 0.909013 0.519035 H\n0.909013 0.381170 0.519035 H\n0.651742 0.911538 0.079856 H\n0.911538 0.651742 0.079856 H\n0.348257 0.088461 0.579856 H\n0.088461 0.348257 0.579856 H\n0.607141 0.201494 0.467992 H\n0.201494 0.607141 0.467992 H\n0.392858 0.798505 0.967992 H\n0.798505 0.392858 0.967992 H\n0.426114 0.685804 0.420998 H\n0.685804 0.426114 0.420998 H\n0.573885 0.314194 0.920998 H\n0.314194 0.573885 0.920998 H\n0.306541 0.843295 0.306594 H\n0.843295 0.306541 0.306594 H\n0.693458 0.156703 0.806594 H\n0.156703 0.693458 0.806594 H\n0.411614 0.949483 0.178674 H\n0.949483 0.411614 0.178674 H\n0.588385 0.050515 0.678674 H\n0.050515 0.588385 0.678674 H\n0.618829 0.090986 0.019035 H\n0.794092 0.794092 0.367408 N\n0.205907 0.205907 0.867408 N\n0.506019 0.506019 0.663688 N\n0.493980 0.493980 0.163688 N\n0.960736 0.552954 0.063988 O\n0.447045 0.039263 0.563988 O\n0.039263 0.447045 0.563988 O\n0.314021 0.720710 0.425899 O\n0.720710 0.314021 0.425899 O\n0.685978 0.279289 0.925899 O\n0.279289 0.685978 0.925899 O\n0.313368 0.940674 0.242662 O\n0.940674 0.313368 0.242662 O\n0.686631 0.059325 0.742662 O\n0.059325 0.686631 0.742662 O\n0.229458 0.229458 0.397495 O\n0.770541 0.770541 0.897495 O\n0.954956 0.954956 0.600545 O\n0.785273 0.956057 0.342147 O\n0.956057 0.785273 0.342147 O\n0.214726 0.043942 0.842147 O\n0.043942 0.214726 0.842147 O\n0.494380 0.323476 0.177845 O\n0.323476 0.494380 0.177845 O\n0.505619 0.676523 0.677845 O\n0.676523 0.505619 0.677845 O\n0.647868 0.647868 0.412995 O\n0.352131 0.352131 0.912995 O\n0.647935 0.647935 0.139552 O\n0.352064 0.352064 0.639552 O\n0.045042 0.045042 0.100544 O\n0.552954 0.960736 0.063988 O\n",
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{
"id": "jvasp-99354",
"created_at": "2022-09-04T14:36:03.701454Z",
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"structure_string": "Ca5 Mn1 Si9 Pb9 O33\n1.0\n9.819561 0.000000 0.000000\n-4.909781 8.503989 -0.000000\n-0.000000 0.000000 10.214128\nCa Mn Si Pb O\n5 1 9 9 33\ndirect\n0.333333 0.666667 0.662041 Ca\n0.666667 0.333333 0.676631 Ca\n0.333333 0.666667 0.337959 Ca\n0.666667 0.333333 0.323369 Ca\n0.333333 0.666667 0.000000 Ca\n0.666667 0.333333 0.000000 Mn\n0.020705 0.400541 0.850828 Si\n0.379836 0.979295 0.149172 Si\n0.406738 0.384274 0.500000 Si\n0.599459 0.620164 0.149172 Si\n0.020705 0.400541 0.149172 Si\n0.977535 0.593262 0.500000 Si\n0.379836 0.979295 0.850828 Si\n0.599459 0.620164 0.850828 Si\n0.615726 0.022464 0.500000 Si\n0.270302 0.262860 0.825828 Pb\n0.992558 0.729698 0.825828 Pb\n0.737140 0.007442 0.174172 Pb\n0.751356 0.746479 0.500000 Pb\n0.992558 0.729698 0.174172 Pb\n0.253521 0.004877 0.500000 Pb\n0.995123 0.248644 0.500000 Pb\n0.737140 0.007442 0.825828 Pb\n0.270302 0.262860 0.174172 Pb\n0.879427 0.398821 0.500000 O\n0.461826 0.868318 0.170065 O\n0.907751 0.645590 0.373886 O\n0.406492 0.538174 0.829935 O\n0.235857 0.929537 0.745954 O\n0.835599 0.344545 0.149746 O\n0.907751 0.645590 0.626114 O\n0.078012 0.370906 0.000000 O\n0.601179 0.480605 0.500000 O\n0.519394 0.120573 0.500000 O\n0.835599 0.344545 0.850254 O\n0.131682 0.593508 0.170065 O\n0.166931 0.673543 0.500000 O\n0.406492 0.538174 0.170065 O\n0.070463 0.306320 0.745954 O\n0.461826 0.868318 0.829935 O\n0.326457 0.493388 0.500000 O\n0.506612 0.833070 0.500000 O\n0.629094 0.707105 0.000000 O\n0.292895 0.921988 0.000000 O\n0.737839 0.092249 0.626114 O\n0.354410 0.262161 0.373886 O\n0.693680 0.764143 0.254046 O\n0.070463 0.306320 0.254046 O\n0.508946 0.164401 0.149746 O\n0.655455 0.491054 0.850254 O\n0.508946 0.164401 0.850254 O\n0.131682 0.593508 0.829935 O\n0.655455 0.491054 0.149746 O\n0.235857 0.929537 0.254046 O\n0.693680 0.764143 0.745954 O\n0.354410 0.262161 0.626114 O\n0.737839 0.092249 0.373886 O\n",
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{
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"created_at": "2022-09-04T14:36:21.978538Z",
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"structure_string": "Ca5 Mn1 Si9 Pb9 O33\n1.0\n9.808197 0.000000 0.000000\n-4.904099 8.494148 -0.000000\n-0.000000 -0.000000 10.207303\nCa Mn Si Pb O\n5 1 9 9 33\ndirect\n0.333333 0.666667 0.662173 Ca\n0.666667 0.333333 0.676345 Ca\n0.333333 0.666667 0.337827 Ca\n0.666667 0.333333 0.323655 Ca\n0.333333 0.666667 0.000000 Ca\n0.666667 0.333333 0.000000 Mn\n0.020548 0.400516 0.851017 Si\n0.379968 0.979452 0.148983 Si\n0.406902 0.384368 0.500000 Si\n0.599484 0.620033 0.148983 Si\n0.020548 0.400516 0.148983 Si\n0.977466 0.593098 0.500000 Si\n0.379968 0.979452 0.851017 Si\n0.599484 0.620033 0.851017 Si\n0.615633 0.022535 0.500000 Si\n0.270388 0.262736 0.825951 Pb\n0.992347 0.729612 0.825951 Pb\n0.737265 0.007653 0.174049 Pb\n0.751410 0.746543 0.500000 Pb\n0.992347 0.729612 0.174049 Pb\n0.253457 0.004867 0.500000 Pb\n0.995134 0.248591 0.500000 Pb\n0.737265 0.007653 0.825951 Pb\n0.270388 0.262736 0.174049 Pb\n0.878974 0.398760 0.500000 O\n0.461562 0.868215 0.169841 O\n0.907630 0.645521 0.374089 O\n0.406652 0.538438 0.830159 O\n0.236149 0.929901 0.746166 O\n0.835549 0.344666 0.149780 O\n0.907630 0.645521 0.625911 O\n0.077652 0.370308 0.000000 O\n0.601241 0.480214 0.500000 O\n0.519786 0.121027 0.500000 O\n0.835549 0.344666 0.850219 O\n0.131786 0.593348 0.169841 O\n0.166696 0.672955 0.500000 O\n0.406652 0.538438 0.169841 O\n0.070100 0.306249 0.746166 O\n0.461562 0.868215 0.830159 O\n0.327045 0.493741 0.500000 O\n0.506260 0.833305 0.500000 O\n0.629692 0.707344 0.000000 O\n0.292656 0.922348 0.000000 O\n0.737891 0.092370 0.625911 O\n0.354479 0.262109 0.374089 O\n0.693751 0.763851 0.253834 O\n0.070100 0.306249 0.253834 O\n0.509117 0.164452 0.149780 O\n0.655335 0.490883 0.850219 O\n0.509117 0.164452 0.850219 O\n0.131786 0.593348 0.830159 O\n0.655335 0.490883 0.149780 O\n0.236149 0.929901 0.253834 O\n0.693751 0.763851 0.746166 O\n0.354479 0.262109 0.625911 O\n0.737891 0.092370 0.374089 O\n",
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{
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"created_at": "2022-09-04T14:38:06.714849Z",
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"structure_string": "Al8 H24 O24\n1.0\n5.075468 0.000000 -0.027961\n0.000000 8.726173 0.000000\n-0.009479 0.000000 9.323782\nAl H O\n8 24 24\ndirect\n0.463619 0.832864 0.503582 Al\n0.029212 0.334991 0.496389 Al\n0.963619 0.667136 0.003583 Al\n0.529212 0.165009 0.996389 Al\n0.036381 0.332864 0.996417 Al\n0.970788 0.665009 0.503611 Al\n0.470788 0.834990 0.003611 Al\n0.536381 0.167136 0.496418 Al\n0.825726 0.204360 0.710052 H\n0.355928 0.598092 0.153338 H\n0.046042 0.505530 0.289396 H\n0.546042 0.994469 0.789396 H\n0.455752 0.419053 0.615151 H\n0.544248 0.580947 0.384849 H\n0.325726 0.295640 0.210052 H\n0.644072 0.401908 0.846662 H\n0.674274 0.704360 0.789948 H\n0.453958 0.005531 0.210604 H\n0.812669 0.958464 0.371010 H\n0.735735 0.765943 0.215647 H\n0.955753 0.080947 0.115151 H\n0.855928 0.901908 0.653338 H\n0.235734 0.734056 0.715647 H\n0.687331 0.458465 0.128990 H\n0.144072 0.098092 0.346662 H\n0.264265 0.234056 0.784353 H\n0.044247 0.919052 0.884848 H\n0.312669 0.541535 0.871010 H\n0.174274 0.795640 0.289948 H\n0.764266 0.265944 0.284353 H\n0.187331 0.041535 0.628990 H\n0.953958 0.494469 0.710604 H\n0.142026 0.827290 0.390556 O\n0.354098 0.323773 0.603988 O\n0.371881 0.012381 0.611861 O\n0.857974 0.172709 0.609444 O\n0.642026 0.672709 0.890556 O\n0.275150 0.696033 0.618223 O\n0.775371 0.807575 0.618094 O\n0.724850 0.303967 0.381777 O\n0.724629 0.307575 0.881906 O\n0.645903 0.676226 0.396012 O\n0.128119 0.512381 0.888139 O\n0.127459 0.510351 0.386220 O\n0.871881 0.487618 0.111861 O\n0.224850 0.196033 0.881777 O\n0.224629 0.192425 0.381906 O\n0.775150 0.803966 0.118223 O\n0.275371 0.692425 0.118094 O\n0.627459 0.989648 0.886220 O\n0.372541 0.010352 0.113779 O\n0.628119 0.987618 0.388139 O\n0.145902 0.823773 0.896012 O\n0.872541 0.489648 0.613779 O\n0.854098 0.176226 0.103988 O\n0.357974 0.327291 0.109444 O\n",
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{
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"structure_string": "Nd4 Al12 Pb8 O32\n1.0\n9.611412 -0.000000 0.000000\n-0.000000 9.611412 -0.000000\n0.000000 -0.000000 9.611412\nNd Al Pb O\n4 12 8 32\ndirect\n0.750000 0.250000 0.750000 Nd\n0.250000 0.750000 0.750000 Nd\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.250000 Nd\n0.500000 0.000000 0.250000 Al\n0.000000 0.250000 0.500000 Al\n0.000000 0.750000 0.500000 Al\n0.750000 0.500000 0.000000 Al\n0.250000 0.500000 0.000000 Al\n0.500000 0.000000 0.750000 Al\n0.000000 0.500000 0.250000 Al\n0.500000 0.250000 0.000000 Al\n0.500000 0.750000 0.000000 Al\n0.750000 0.000000 0.500000 Al\n0.250000 0.000000 0.500000 Al\n0.000000 0.500000 0.750000 Al\n0.633316 0.633316 0.633316 Pb\n0.133316 0.866684 0.133316 Pb\n0.133316 0.133316 0.866684 Pb\n0.866684 0.133316 0.133316 Pb\n0.366684 0.366684 0.633316 Pb\n0.633316 0.366684 0.366684 Pb\n0.366684 0.633316 0.366684 Pb\n0.866684 0.866684 0.866684 Pb\n0.343133 0.013274 0.343133 O\n0.656867 0.986725 0.343133 O\n0.656867 0.343133 0.986725 O\n0.343133 0.343133 0.013274 O\n0.986725 0.343133 0.656867 O\n0.986725 0.656867 0.343133 O\n0.109010 0.109010 0.109010 O\n0.843132 0.486725 0.843132 O\n0.609010 0.390990 0.609010 O\n0.609010 0.609010 0.390990 O\n0.390990 0.609010 0.609010 O\n0.890990 0.890990 0.109010 O\n0.109010 0.890990 0.890990 O\n0.486725 0.843132 0.843132 O\n0.843132 0.843132 0.486725 O\n0.343133 0.656867 0.986725 O\n0.843132 0.513274 0.156867 O\n0.156867 0.843132 0.513274 O\n0.156867 0.513274 0.843132 O\n0.156867 0.486725 0.156867 O\n0.843132 0.156867 0.513274 O\n0.486725 0.156867 0.156867 O\n0.513274 0.843132 0.156867 O\n0.513274 0.156867 0.843132 O\n0.343133 0.986725 0.656867 O\n0.656867 0.013274 0.656867 O\n0.890990 0.109010 0.890990 O\n0.656867 0.656867 0.013274 O\n0.013274 0.343133 0.343133 O\n0.013274 0.656867 0.656867 O\n0.156867 0.156867 0.486725 O\n0.390990 0.390990 0.390990 O\n",
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{
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