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{
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{
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{
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"structure_string": "Er16 In4 Ir4\n1.0\n0.000000 6.778776 6.778776\n6.778776 0.000000 6.778776\n6.778776 6.778776 0.000000\nEr In Ir\n16 4 4\ndirect\n0.060432 0.060432 0.439568 Er\n0.650670 0.047991 0.650670 Er\n0.191170 0.808830 0.191170 Er\n0.439568 0.060432 0.439568 Er\n0.191170 0.191170 0.808830 Er\n0.650670 0.650670 0.650670 Er\n0.047991 0.650670 0.650670 Er\n0.439568 0.060432 0.060432 Er\n0.650670 0.650670 0.047991 Er\n0.191170 0.808830 0.808830 Er\n0.808830 0.191170 0.808830 Er\n0.808830 0.191170 0.191170 Er\n0.808830 0.808830 0.191170 Er\n0.060432 0.439568 0.439568 Er\n0.439568 0.439568 0.060432 Er\n0.060432 0.439568 0.060432 Er\n0.749222 0.416926 0.416926 In\n0.416926 0.416926 0.749222 In\n0.416926 0.749222 0.416926 In\n0.416926 0.416926 0.416926 In\n0.858619 0.858619 0.858619 Ir\n0.424144 0.858619 0.858619 Ir\n0.858619 0.858619 0.424144 Ir\n0.858619 0.424144 0.858619 Ir\n",
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{
"id": "mp-1021760",
"created_at": "2022-09-04T14:41:49.613269Z",
"structure_string": "Mg12 Cd2 Ni2\n1.0\n4.906335 0.000000 0.000000\n0.000000 6.141094 0.000000\n0.000000 0.000000 10.655152\nMg Cd Ni\n12 2 2\ndirect\n0.000000 0.750169 0.084012 Mg\n0.000000 0.249831 0.084012 Mg\n0.000000 0.000000 0.333146 Mg\n0.500000 0.263027 0.409814 Mg\n0.500000 0.736973 0.409814 Mg\n0.500000 0.000000 0.167267 Mg\n0.000000 0.250169 0.584012 Mg\n0.000000 0.749831 0.584012 Mg\n0.000000 0.500000 0.833146 Mg\n0.500000 0.763027 0.909814 Mg\n0.500000 0.236973 0.909814 Mg\n0.500000 0.500000 0.667267 Mg\n0.500000 0.500000 0.169572 Cd\n0.500000 0.000000 0.669572 Cd\n0.000000 0.500000 0.342362 Ni\n0.000000 0.000000 0.842362 Ni\n",
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{
"id": "mp-707239",
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"structure_string": "H32 C8 Se4 S8 Br8 N16\n1.0\n16.757462 0.000000 0.000000\n0.000000 8.736649 0.000000\n0.000000 4.303511 8.247245\nH C Se S Br N\n32 8 4 8 8 16\ndirect\n0.613348 0.233106 0.450984 H\n0.113348 0.766894 0.049016 H\n0.386652 0.766894 0.549016 H\n0.886652 0.233106 0.950984 H\n0.515766 0.278837 0.488605 H\n0.015766 0.721163 0.011395 H\n0.484234 0.721163 0.511395 H\n0.984234 0.278837 0.988605 H\n0.635845 0.217507 0.193103 H\n0.135845 0.782493 0.306897 H\n0.364155 0.782493 0.806897 H\n0.864155 0.217507 0.693103 H\n0.554042 0.254078 0.066070 H\n0.054042 0.745922 0.433930 H\n0.445958 0.745922 0.933930 H\n0.945958 0.254078 0.566070 H\n0.113425 0.042026 0.559485 H\n0.613425 0.957974 0.940515 H\n0.886575 0.957974 0.440515 H\n0.386575 0.042026 0.059485 H\n0.193480 0.935757 0.535902 H\n0.693480 0.064243 0.964098 H\n0.806520 0.064243 0.464098 H\n0.306520 0.935757 0.035902 H\n0.131913 0.300254 0.326014 H\n0.631913 0.699746 0.173986 H\n0.868087 0.699746 0.673986 H\n0.368087 0.300254 0.826014 H\n0.189368 0.970135 0.699371 H\n0.689368 0.029865 0.800629 H\n0.810632 0.029865 0.300629 H\n0.310632 0.970135 0.199371 H\n0.529141 0.266678 0.276717 C\n0.029141 0.733322 0.223283 C\n0.470859 0.733322 0.723283 C\n0.970859 0.266678 0.776717 C\n0.218810 0.192349 0.473968 C\n0.718810 0.807651 0.026032 C\n0.781190 0.807651 0.526032 C\n0.281190 0.192349 0.973968 C\n0.377724 0.417412 0.371976 Se\n0.877724 0.582588 0.128024 Se\n0.622276 0.582588 0.628024 Se\n0.122276 0.417412 0.871976 Se\n0.429353 0.322235 0.209078 S\n0.929353 0.677765 0.290922 S\n0.570647 0.677765 0.790922 S\n0.070647 0.322235 0.709078 S\n0.316686 0.175374 0.553421 S\n0.816686 0.824626 0.946579 S\n0.683314 0.824626 0.446579 S\n0.183314 0.175374 0.053421 S\n0.486942 0.755159 0.180211 Br\n0.986942 0.244841 0.319789 Br\n0.513058 0.244841 0.819789 Br\n0.013058 0.755159 0.680211 Br\n0.260924 0.789189 0.439046 Br\n0.760924 0.210811 0.060954 Br\n0.739076 0.210811 0.560954 Br\n0.239076 0.789189 0.939046 Br\n0.553906 0.252540 0.417140 N\n0.053906 0.747460 0.082860 N\n0.446094 0.747460 0.582860 N\n0.946094 0.252540 0.917140 N\n0.575565 0.240534 0.175217 N\n0.075565 0.759466 0.324783 N\n0.424435 0.759466 0.824783 N\n0.924435 0.240534 0.675217 N\n0.174778 0.027932 0.574043 N\n0.674778 0.972068 0.925957 N\n0.825222 0.972068 0.425957 N\n0.325222 0.027932 0.074043 N\n0.190451 0.317942 0.351046 N\n0.690451 0.682058 0.148954 N\n0.809549 0.682058 0.648954 N\n0.309549 0.317942 0.851046 N\n",
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{
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{
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"structure_string": "La1 Mg2 Ti1 O6\n1.0\n0.000000 4.217910 4.217910\n4.217910 0.000000 4.217910\n4.217910 4.217910 0.000000\nLa Mg Ti O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 La\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Ti\n0.770265 0.229735 0.229735 O\n0.229735 0.770265 0.770265 O\n0.229735 0.770265 0.229735 O\n0.770265 0.229735 0.770265 O\n0.229735 0.229735 0.770265 O\n0.770265 0.770265 0.229735 O\n",
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{
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{
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{
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}