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{
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{
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{
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{
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"structure_string": "Al12 Fe2\n1.0\n4.935947 0.007562 -0.000000\n-0.682079 4.888599 -0.000000\n0.000000 0.000000 8.841845\nAl Fe\n12 2\ndirect\n0.677168 0.322826 0.499998 Al\n0.144524 0.144524 0.100022 Al\n0.677174 0.322832 -0.000001 Al\n0.855482 0.855481 0.899980 Al\n0.030417 0.393550 0.750001 Al\n0.322832 0.677174 -0.000001 Al\n0.144518 0.144518 0.399981 Al\n0.969583 0.606450 0.250002 Al\n0.606450 0.969583 0.250002 Al\n0.393550 0.030417 0.750001 Al\n0.855476 0.855476 0.600022 Al\n0.322826 0.677168 0.499998 Al\n0.458834 0.458834 0.249998 Fe\n0.541166 0.541166 0.749997 Fe\n",
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{
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"created_at": "2022-09-04T14:35:59.889793Z",
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"structure_string": "Al12 Fe2\n1.0\n4.936028 0.007533 0.000000\n-0.682119 4.888674 -0.000000\n-0.000000 -0.000000 8.841938\nAl Fe\n12 2\ndirect\n0.677170 0.322829 0.499998 Al\n0.144515 0.144515 0.100026 Al\n0.677171 0.322830 -0.000002 Al\n0.855486 0.855485 0.899979 Al\n0.030414 0.393551 0.750001 Al\n0.322830 0.677170 -0.000002 Al\n0.144514 0.144514 0.399979 Al\n0.969586 0.606448 0.250001 Al\n0.606448 0.969585 0.250001 Al\n0.393552 0.030414 0.750001 Al\n0.855485 0.855484 0.600026 Al\n0.322829 0.677169 0.499998 Al\n0.458836 0.458835 0.249997 Fe\n0.541164 0.541163 0.749997 Fe\n",
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{
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"structure_string": "Al12 Fe7\n1.0\n4.615034 -0.020751 1.267996\n0.724639 6.303184 0.244025\n0.009831 0.000018 8.726940\nAl Fe\n12 7\ndirect\n0.412333 0.460346 0.302251 Al\n0.506926 0.992454 0.831599 Al\n0.493073 0.007546 0.168403 Al\n0.009826 0.294763 0.174888 Al\n0.687967 0.336207 0.968347 Al\n0.312032 0.663793 0.031655 Al\n0.990173 0.705237 0.825113 Al\n0.601968 0.186538 0.514419 Al\n0.961214 0.869707 0.292533 Al\n0.038785 0.130293 0.707468 Al\n0.587666 0.539654 0.697750 Al\n0.398032 0.813461 0.485582 Al\n0.163830 0.479044 0.584665 Fe\n0.225134 0.350799 0.883703 Fe\n0.774865 0.649201 0.116298 Fe\n0.144711 0.153818 0.414875 Fe\n0.855288 0.846182 0.585126 Fe\n0.000000 0.000000 0.000000 Fe\n0.836169 0.520956 0.415336 Fe\n",
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{
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"structure_string": "Al12 Fe8 Si4\n1.0\n6.598257 -0.000000 3.809505\n2.199419 6.220896 3.809505\n-0.000000 -0.000000 7.619010\nAl Fe Si\n12 8 4\ndirect\n0.799313 0.799313 0.200688 Al\n0.049313 0.450688 0.450687 Al\n0.049313 0.450688 0.049313 Al\n0.450687 0.049313 0.450687 Al\n0.049313 0.049313 0.450687 Al\n0.450687 0.450688 0.049313 Al\n0.450687 0.049313 0.049313 Al\n0.200687 0.799313 0.799313 Al\n0.200687 0.799313 0.200688 Al\n0.799313 0.200687 0.799313 Al\n0.200687 0.200687 0.799313 Al\n0.799313 0.200687 0.200688 Al\n0.840715 0.840715 0.840715 Fe\n0.840715 0.840715 0.477858 Fe\n0.840715 0.477858 0.840715 Fe\n0.477857 0.840715 0.840715 Fe\n0.409286 0.409286 0.409286 Fe\n0.409286 0.772143 0.409286 Fe\n0.772143 0.409286 0.409286 Fe\n0.409286 0.409286 0.772143 Fe\n0.625000 0.625000 0.125000 Si\n0.125000 0.625000 0.625000 Si\n0.625000 0.125000 0.625000 Si\n0.625000 0.625000 0.625000 Si\n",
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"structure_string": "Al12 Mo1\n1.0\n6.225536 -0.000000 -2.201059\n-3.112768 5.391472 -2.201059\n-0.000000 0.000000 6.603178\nAl Mo\n12 1\ndirect\n0.495087 0.307610 0.187476 Al\n0.307610 0.812523 0.120133 Al\n0.187476 0.879867 0.692390 Al\n0.692390 0.812523 0.504913 Al\n0.812524 0.120133 0.307611 Al\n0.692390 0.187476 0.879867 Al\n0.812524 0.504913 0.692390 Al\n0.187476 0.495086 0.307610 Al\n0.307611 0.187476 0.495087 Al\n0.120133 0.307610 0.812524 Al\n0.879867 0.692389 0.187476 Al\n0.504913 0.692389 0.812524 Al\n0.000000 0.000000 0.000000 Mo\n",
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"structure_string": "Al12 N4 O12\n1.0\n5.661168 -0.000000 0.000000\n-0.000000 5.710546 0.000000\n0.000000 0.000000 8.065156\nAl N O\n12 4 12\ndirect\n0.750000 0.992543 0.117644 Al\n0.250000 0.507458 0.617644 Al\n0.750000 0.250036 0.742925 Al\n0.250000 0.007458 0.882357 Al\n0.500000 0.000000 0.500000 Al\n0.750000 0.750036 0.757075 Al\n0.250000 0.749965 0.257075 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.750000 0.492542 0.382356 Al\n0.250000 0.249964 0.242925 Al\n0.000000 0.000000 0.500000 Al\n0.250000 0.773509 0.491480 N\n0.250000 0.273508 0.008520 N\n0.750000 0.726492 0.991481 N\n0.750000 0.226492 0.508520 N\n0.513378 0.998140 0.746149 O\n0.750000 0.759291 0.512558 O\n0.250000 0.740710 0.012557 O\n0.513378 0.498139 0.753851 O\n0.486623 0.501861 0.246149 O\n0.013377 0.501861 0.246149 O\n0.750000 0.259291 0.987443 O\n0.250000 0.240709 0.487443 O\n0.013377 0.001861 0.253851 O\n0.486623 0.001861 0.253851 O\n0.986623 0.998140 0.746149 O\n0.986623 0.498139 0.753851 O\n",
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}