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{
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{
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"structure_string": "Al12 Cu6 O24\n1.0\n2.874848 -4.979382 0.000000\n2.874848 4.979382 0.000000\n0.000000 0.000000 14.186365\nAl Cu O\n12 6 24\ndirect\n0.830922 0.169078 0.832820 Al\n0.830922 0.661844 0.832820 Al\n0.165743 0.834257 0.499085 Al\n0.338156 0.169078 0.832820 Al\n0.333333 0.666667 0.712016 Al\n0.333333 0.666667 0.333916 Al\n0.165743 0.331486 0.499085 Al\n0.498851 0.501149 0.167277 Al\n0.668514 0.834257 0.499085 Al\n0.498851 0.997702 0.167277 Al\n0.002298 0.501149 0.167277 Al\n0.000000 0.000000 0.042183 Al\n0.333333 0.666667 0.959382 Cu\n0.666667 0.333333 0.997463 Cu\n0.666667 0.333333 0.622806 Cu\n0.000000 0.000000 0.292621 Cu\n0.000000 0.000000 0.662327 Cu\n0.666667 0.333333 0.375554 Cu\n0.514149 0.485851 0.906136 O\n0.666667 0.333333 0.762490 O\n0.514149 0.028297 0.906136 O\n0.971703 0.485851 0.906136 O\n0.846963 0.153037 0.571939 O\n0.677507 0.838754 0.759280 O\n0.000000 0.000000 0.909385 O\n0.000000 0.000000 0.430488 O\n0.846963 0.693927 0.571939 O\n0.161246 0.322493 0.759280 O\n0.306073 0.153037 0.571939 O\n0.161246 0.838754 0.759280 O\n0.042716 0.521358 0.423685 O\n0.186856 0.813144 0.246270 O\n0.333333 0.666667 0.582639 O\n0.478642 0.957284 0.423685 O\n0.333333 0.666667 0.098241 O\n0.186856 0.373712 0.246270 O\n0.626288 0.813144 0.246270 O\n0.478642 0.521358 0.423685 O\n0.337708 0.168854 0.090142 O\n0.666667 0.333333 0.228722 O\n0.831146 0.662292 0.090142 O\n0.831146 0.168854 0.090142 O\n",
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{
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{
"id": "mp-1214903",
"created_at": "2022-09-04T14:47:29.372142Z",
"structure_string": "Al12 Fe4 Si4 B4 O36\n1.0\n5.833527 0.000000 0.000000\n0.000000 10.461323 0.000000\n0.000000 0.000000 11.237627\nAl Fe Si B O\n12 4 4 4 36\ndirect\n0.250000 0.273270 0.052007 Al\n0.750000 0.726730 0.947993 Al\n0.750000 0.773270 0.447993 Al\n0.250000 0.226730 0.552007 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.250000 0.406408 0.281325 Fe\n0.750000 0.593592 0.718675 Fe\n0.750000 0.906408 0.218675 Fe\n0.250000 0.093592 0.781325 Fe\n0.250000 0.065040 0.236324 Si\n0.750000 0.934960 0.763676 Si\n0.750000 0.565040 0.263676 Si\n0.250000 0.434960 0.736324 Si\n0.250000 0.748987 0.000068 B\n0.750000 0.251013 0.999932 B\n0.750000 0.248987 0.499932 B\n0.250000 0.751013 0.500068 B\n0.045820 0.680961 0.000953 O\n0.954180 0.319039 0.999047 O\n0.954180 0.180961 0.499047 O\n0.545820 0.319039 0.999047 O\n0.045820 0.819039 0.500953 O\n0.454180 0.680961 0.000953 O\n0.454180 0.819039 0.500953 O\n0.545820 0.180961 0.499047 O\n0.024503 0.006070 0.169540 O\n0.975497 0.993930 0.830460 O\n0.975497 0.506070 0.330460 O\n0.524503 0.993930 0.830460 O\n0.024503 0.493930 0.669540 O\n0.475497 0.006070 0.169540 O\n0.475497 0.493930 0.669540 O\n0.524503 0.506070 0.330460 O\n0.250000 0.452838 0.095836 O\n0.750000 0.547162 0.904164 O\n0.750000 0.952838 0.404164 O\n0.250000 0.047162 0.595836 O\n0.250000 0.221904 0.208342 O\n0.750000 0.778096 0.791658 O\n0.750000 0.721904 0.291658 O\n0.250000 0.278096 0.708342 O\n0.250000 0.025908 0.378222 O\n0.750000 0.974092 0.621778 O\n0.750000 0.525908 0.121778 O\n0.250000 0.474092 0.878222 O\n0.250000 0.382502 0.480800 O\n0.750000 0.617498 0.519200 O\n0.750000 0.882502 0.019200 O\n0.250000 0.117498 0.980800 O\n0.250000 0.621588 0.495774 O\n0.750000 0.378412 0.504226 O\n0.750000 0.121588 0.004226 O\n0.250000 0.878412 0.995774 O\n",
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{
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"structure_string": "Al12 Fe4 Si8\n1.0\n6.065562 0.000000 0.000000\n0.000000 6.072298 0.000000\n0.000000 0.000000 9.483552\nAl Fe Si\n12 4 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.140393 0.633596 0.863790 Al\n0.640393 0.866404 0.136210 Al\n0.859607 0.633596 0.636210 Al\n0.359607 0.866404 0.363790 Al\n0.859607 0.366404 0.136210 Al\n0.359607 0.133596 0.863790 Al\n0.140393 0.366404 0.363790 Al\n0.640393 0.133596 0.636210 Al\n0.000000 0.011164 0.250000 Fe\n0.500000 0.488836 0.750000 Fe\n0.000000 0.988836 0.750000 Fe\n0.500000 0.511164 0.250000 Fe\n0.162794 0.671170 0.154440 Si\n0.662794 0.828830 0.845560 Si\n0.837206 0.671170 0.345560 Si\n0.337206 0.828830 0.654440 Si\n0.837206 0.328830 0.845560 Si\n0.337206 0.171170 0.154440 Si\n0.162794 0.328830 0.654440 Si\n0.662794 0.171170 0.345560 Si\n",
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{
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"structure_string": "Al12 Fe6 O24\n1.0\n2.912565 -5.044710 0.000000\n2.912565 5.044710 0.000000\n0.000000 0.000000 14.316964\nAl Fe O\n12 6 24\ndirect\n0.830014 0.169986 0.168324 Al\n0.661953 0.830977 0.498666 Al\n0.339973 0.169986 0.168324 Al\n0.000000 0.000000 0.333469 Al\n0.830014 0.660027 0.168324 Al\n0.169023 0.830977 0.498666 Al\n0.497118 0.994237 0.831494 Al\n0.333333 0.666667 0.664601 Al\n0.169023 0.338047 0.498666 Al\n0.497118 0.502882 0.831494 Al\n0.005763 0.502882 0.831494 Al\n0.000000 0.000000 0.955312 Al\n0.333333 0.666667 0.043274 Fe\n0.666667 0.333333 0.002237 Fe\n0.666667 0.333333 0.376605 Fe\n0.000000 0.000000 0.707867 Fe\n0.333333 0.666667 0.287643 Fe\n0.666667 0.333333 0.625689 Fe\n0.510658 0.489342 0.100889 O\n0.666667 0.333333 0.238285 O\n0.978683 0.489342 0.100889 O\n0.510658 0.021317 0.100889 O\n0.854220 0.145780 0.422955 O\n0.142728 0.285457 0.245290 O\n0.714543 0.857272 0.245290 O\n0.000000 0.000000 0.568002 O\n0.291560 0.145780 0.422955 O\n0.000000 0.000000 0.084008 O\n0.854220 0.708440 0.422955 O\n0.142728 0.857272 0.245290 O\n0.187989 0.812011 0.753370 O\n0.477694 0.955388 0.577308 O\n0.044612 0.522306 0.577308 O\n0.333333 0.666667 0.901195 O\n0.624022 0.812011 0.753370 O\n0.333333 0.666667 0.431193 O\n0.187989 0.375978 0.753370 O\n0.477694 0.522306 0.577308 O\n0.832433 0.664867 0.905872 O\n0.335133 0.167567 0.905872 O\n0.666667 0.333333 0.770406 O\n0.832433 0.167567 0.905872 O\n",
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{
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"structure_string": "Al12 Fe7\n1.0\n4.794948 0.000000 0.000000\n0.792117 6.340358 0.000000\n2.288788 0.047361 8.402686\nAl Fe\n12 7\ndirect\n0.413817 0.453099 0.300680 Al\n0.586183 0.546901 0.699320 Al\n0.041357 0.125737 0.709427 Al\n0.958643 0.874263 0.290573 Al\n0.598390 0.187261 0.523151 Al\n0.401610 0.812739 0.476849 Al\n0.310171 0.663052 0.032532 Al\n0.689829 0.336948 0.967468 Al\n0.009945 0.293666 0.172626 Al\n0.990055 0.706334 0.827374 Al\n0.491578 0.007951 0.165481 Al\n0.508422 0.992049 0.834519 Al\n0.226842 0.352497 0.880030 Fe\n0.773158 0.647503 0.119970 Fe\n0.139508 0.156162 0.417375 Fe\n0.860492 0.843838 0.582625 Fe\n0.000000 0.000000 0.000000 Fe\n0.165465 0.480895 0.585961 Fe\n0.834535 0.519105 0.414039 Fe\n",
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