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{
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{
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"structure_string": "Be2 H16 S2 O16\n1.0\n-4.099603 4.099603 5.118547\n4.099603 -4.099603 5.118547\n4.099603 4.099603 -5.118547\nBe H S O\n2 16 2 16\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.668473 0.014521 0.910357 H\n0.104164 0.758116 0.089643 H\n0.485479 0.831527 0.089643 H\n0.741884 0.395836 0.910357 H\n0.168473 0.258116 0.653952 H\n0.604164 0.514521 0.346048 H\n0.241884 0.331527 0.346048 H\n0.985479 0.895836 0.653952 H\n0.837819 0.113911 0.187604 H\n0.926307 0.650214 0.812396 H\n0.386089 0.662181 0.812396 H\n0.849786 0.573693 0.187604 H\n0.337819 0.150214 0.723907 H\n0.426307 0.613911 0.276093 H\n0.349786 0.162181 0.276093 H\n0.886089 0.073693 0.723907 H\n0.250000 0.750000 0.500000 S\n0.750000 0.250000 0.500000 S\n0.815039 0.054082 0.031163 O\n0.022919 0.783876 0.968837 O\n0.445918 0.684961 0.968837 O\n0.716124 0.477081 0.031163 O\n0.315039 0.283876 0.760957 O\n0.522919 0.554082 0.239043 O\n0.216124 0.184961 0.239043 O\n0.945918 0.977081 0.760957 O\n0.413602 0.958991 0.707488 O\n0.251504 0.706114 0.292512 O\n0.541009 0.086398 0.292512 O\n0.793886 0.248496 0.707488 O\n0.913602 0.206114 0.454611 O\n0.751504 0.458991 0.545389 O\n0.293886 0.586398 0.545389 O\n0.041009 0.748496 0.454611 O\n",
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{
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{
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"structure_string": "Nd4 Cd2 Cu4\n1.0\n7.722122 0.000000 0.000000\n0.000000 7.722122 0.000000\n0.000000 0.000000 3.865112\nNd Cd Cu\n4 2 4\ndirect\n0.675516 0.175516 0.000000 Nd\n0.324484 0.824484 0.000000 Nd\n0.175516 0.324484 0.000000 Nd\n0.824484 0.675516 0.000000 Nd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.500000 Cd\n0.881837 0.381837 0.500000 Cu\n0.118163 0.618163 0.500000 Cu\n0.381837 0.118163 0.500000 Cu\n0.618163 0.881837 0.500000 Cu\n",
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{
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"structure_string": "Fe4 H40 S8 N4 O44\n1.0\n10.288729 0.000000 0.000000\n0.000000 9.681917 0.000000\n0.000000 0.774801 9.976079\nFe H S N O\n4 40 8 4 44\ndirect\n0.613747 0.984222 0.214707 Fe\n0.113747 0.515778 0.785293 Fe\n0.386253 0.015778 0.785293 Fe\n0.886253 0.484222 0.214707 Fe\n0.404588 0.510102 0.300112 H\n0.904588 0.989898 0.699888 H\n0.595412 0.489898 0.699888 H\n0.095412 0.010102 0.300112 H\n0.460736 0.359094 0.369945 H\n0.960736 0.140906 0.630055 H\n0.539264 0.640906 0.630055 H\n0.039264 0.859094 0.369945 H\n0.564936 0.487502 0.328539 H\n0.064936 0.012498 0.671461 H\n0.435064 0.512498 0.671461 H\n0.935064 0.987502 0.328539 H\n0.488197 0.403473 0.203784 H\n0.988197 0.096527 0.796216 H\n0.511803 0.596527 0.796216 H\n0.011803 0.903473 0.203784 H\n0.383197 0.048393 0.321884 H\n0.883197 0.451607 0.678116 H\n0.616803 0.951607 0.678116 H\n0.116803 0.548393 0.321884 H\n0.433484 0.913584 0.410678 H\n0.933484 0.586416 0.589322 H\n0.566516 0.086416 0.589322 H\n0.066516 0.413584 0.410678 H\n0.816740 0.059966 0.044646 H\n0.316740 0.440034 0.955354 H\n0.183260 0.940034 0.955354 H\n0.683260 0.559966 0.044646 H\n0.793547 0.895134 0.040941 H\n0.293547 0.604866 0.959059 H\n0.206453 0.104866 0.959059 H\n0.706453 0.395134 0.040941 H\n0.731130 0.313553 0.789767 H\n0.231130 0.186447 0.210233 H\n0.268870 0.686447 0.210233 H\n0.768870 0.813553 0.789767 H\n0.718070 0.308374 0.630744 H\n0.218070 0.191626 0.369256 H\n0.281930 0.691626 0.369256 H\n0.781930 0.808374 0.630744 H\n0.514953 0.227547 0.990149 S\n0.014953 0.272453 0.009851 S\n0.485047 0.772453 0.009851 S\n0.985047 0.727547 0.990149 S\n0.755911 0.217387 0.394267 S\n0.255911 0.282613 0.605733 S\n0.244089 0.782613 0.605733 S\n0.744089 0.717387 0.394267 S\n0.480937 0.439448 0.299230 N\n0.980937 0.060552 0.700770 N\n0.519063 0.560552 0.700770 N\n0.019063 0.939448 0.299230 N\n0.443891 0.345509 0.040847 O\n0.943891 0.154491 0.959153 O\n0.556109 0.654491 0.959153 O\n0.056109 0.845509 0.040847 O\n0.653062 0.262254 0.963994 O\n0.153062 0.237746 0.036006 O\n0.346938 0.737746 0.036006 O\n0.846938 0.762254 0.963994 O\n0.452848 0.190320 0.861907 O\n0.952848 0.309680 0.138093 O\n0.547152 0.809680 0.138093 O\n0.047152 0.690320 0.861907 O\n0.501955 0.105662 0.091497 O\n0.001955 0.394338 0.908503 O\n0.498045 0.894338 0.908503 O\n0.998045 0.605662 0.091497 O\n0.660967 0.220612 0.505935 O\n0.160967 0.279388 0.494065 O\n0.339033 0.779388 0.494065 O\n0.839033 0.720612 0.505935 O\n0.689854 0.163669 0.275012 O\n0.189854 0.336331 0.724988 O\n0.310146 0.836331 0.724988 O\n0.810146 0.663669 0.275012 O\n0.791168 0.366848 0.356579 O\n0.291168 0.133152 0.643421 O\n0.208832 0.633152 0.643421 O\n0.708832 0.866848 0.356579 O\n0.872265 0.136308 0.432810 O\n0.372265 0.363692 0.567190 O\n0.127735 0.863692 0.567190 O\n0.627735 0.636308 0.432810 O\n0.766858 0.979859 0.085985 O\n0.266858 0.520141 0.914015 O\n0.233142 0.020141 0.914015 O\n0.733142 0.479859 0.085985 O\n0.462293 0.990284 0.345777 O\n0.962293 0.509716 0.654223 O\n0.537707 0.009716 0.654223 O\n0.037707 0.490284 0.345777 O\n0.744772 0.368020 0.703387 O\n0.244772 0.131980 0.296613 O\n0.255228 0.631980 0.296613 O\n0.755228 0.868020 0.703387 O\n",
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{
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{
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{
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