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{
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{
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"structure_string": "Pt10 Se8\n1.0\n4.698714 0.000000 0.000000\n0.000000 6.670465 0.000000\n0.000000 2.228718 11.056563\nPt Se\n10 8\ndirect\n0.667915 0.331500 0.997957 Pt\n0.167915 0.668500 0.502043 Pt\n0.332085 0.668500 0.002043 Pt\n0.832085 0.331500 0.497957 Pt\n0.336436 0.223141 0.826378 Pt\n0.836436 0.776859 0.673622 Pt\n0.663564 0.776859 0.173622 Pt\n0.163564 0.223141 0.326378 Pt\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.635018 0.911564 0.862214 Se\n0.135018 0.088436 0.637786 Se\n0.364982 0.088436 0.137786 Se\n0.864982 0.911564 0.362214 Se\n0.037529 0.514221 0.855997 Se\n0.537529 0.485779 0.644003 Se\n0.962471 0.485779 0.144003 Se\n0.462471 0.514221 0.355997 Se\n",
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{
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"structure_string": "Sm20 Rh16\n1.0\n7.500843 0.000000 0.000000\n0.000000 7.648155 0.000000\n0.000000 0.000000 14.924599\nSm Rh\n20 16\ndirect\n0.661707 0.168014 0.622257 Sm\n0.161707 0.331986 0.877743 Sm\n0.338293 0.831986 0.122257 Sm\n0.838293 0.668014 0.377743 Sm\n0.338293 0.831986 0.377743 Sm\n0.838293 0.668014 0.122257 Sm\n0.661707 0.168014 0.877743 Sm\n0.161707 0.331986 0.622257 Sm\n0.508609 0.680427 0.592464 Sm\n0.008609 0.819573 0.907536 Sm\n0.491391 0.319573 0.092464 Sm\n0.991391 0.180427 0.407536 Sm\n0.491391 0.319573 0.407536 Sm\n0.991391 0.180427 0.092464 Sm\n0.508609 0.680427 0.907536 Sm\n0.008609 0.819573 0.592464 Sm\n0.821143 0.513355 0.750000 Sm\n0.321143 0.986645 0.750000 Sm\n0.178857 0.486645 0.250000 Sm\n0.678857 0.013355 0.250000 Sm\n0.679472 0.969975 0.459552 Rh\n0.179472 0.530025 0.040448 Rh\n0.320528 0.030025 0.959552 Rh\n0.820528 0.469975 0.540448 Rh\n0.320528 0.030025 0.540448 Rh\n0.820528 0.469975 0.959552 Rh\n0.679472 0.969975 0.040448 Rh\n0.179472 0.530025 0.459552 Rh\n0.457833 0.393385 0.750000 Rh\n0.957833 0.106615 0.750000 Rh\n0.542167 0.606615 0.250000 Rh\n0.042167 0.893385 0.250000 Rh\n0.696639 0.858995 0.750000 Rh\n0.196639 0.641005 0.750000 Rh\n0.303361 0.141005 0.250000 Rh\n0.803361 0.358995 0.250000 Rh\n",
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{
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"structure_string": "Ni5 O4\n1.0\n-3.296638 3.296638 2.054505\n3.296638 -3.296638 2.054505\n3.296638 3.296638 -2.054505\nNi O\n5 4\ndirect\n0.404653 0.791327 0.195980 Ni\n0.000000 0.000000 0.000000 Ni\n0.595347 0.208673 0.804020 Ni\n0.208673 0.404653 0.613326 Ni\n0.791327 0.595347 0.386674 Ni\n0.102334 0.697926 0.800260 O\n0.697926 0.897666 0.595593 O\n0.302074 0.102334 0.404407 O\n0.897666 0.302074 0.199740 O\n",
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{
"id": "mp-1197234",
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"structure_string": "Ir16 C20\n1.0\n5.042396 0.000000 0.000000\n0.000000 5.042396 0.000000\n0.000000 0.000000 15.071619\nIr C\n16 20\ndirect\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.250000 Ir\n0.000000 0.000000 0.750000 Ir\n0.500000 0.500000 0.364748 Ir\n0.500000 0.500000 0.864748 Ir\n0.500000 0.500000 0.635252 Ir\n0.500000 0.500000 0.135252 Ir\n0.500000 0.000000 0.439886 Ir\n0.500000 0.000000 0.939886 Ir\n0.000000 0.500000 0.560114 Ir\n0.000000 0.500000 0.060114 Ir\n0.500000 0.000000 0.173531 Ir\n0.500000 0.000000 0.673531 Ir\n0.000000 0.500000 0.826469 Ir\n0.000000 0.500000 0.326469 Ir\n0.322279 0.322279 0.250000 C\n0.677721 0.677721 0.250000 C\n0.322279 0.677721 0.750000 C\n0.677721 0.322279 0.750000 C\n0.189619 0.333643 0.445658 C\n0.810381 0.666357 0.445658 C\n0.189619 0.666357 0.945658 C\n0.810381 0.333643 0.945658 C\n0.333643 0.810381 0.554342 C\n0.666357 0.189619 0.554342 C\n0.666357 0.810381 0.054342 C\n0.333643 0.189619 0.054342 C\n0.229911 0.839669 0.353168 C\n0.770089 0.160331 0.353168 C\n0.229911 0.160331 0.853168 C\n0.770089 0.839669 0.853168 C\n0.839669 0.770089 0.646832 C\n0.160331 0.229911 0.646832 C\n0.160331 0.770089 0.146832 C\n0.839669 0.229911 0.146832 C\n",
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{
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"structure_string": "Tb20 Si16\n1.0\n7.462482 0.000000 0.000000\n0.000000 7.718943 0.000000\n0.000000 0.000000 14.687919\nTb Si\n20 16\ndirect\n0.678600 0.181072 0.622673 Tb\n0.178600 0.318928 0.877327 Tb\n0.321400 0.818928 0.122673 Tb\n0.821400 0.681072 0.377327 Tb\n0.321400 0.818928 0.377327 Tb\n0.821400 0.681072 0.122673 Tb\n0.678600 0.181072 0.877327 Tb\n0.178600 0.318928 0.622673 Tb\n0.527523 0.683472 0.598132 Tb\n0.027523 0.816528 0.901868 Tb\n0.472477 0.316528 0.098132 Tb\n0.972477 0.183472 0.401868 Tb\n0.472477 0.316528 0.401868 Tb\n0.972477 0.183472 0.098132 Tb\n0.527523 0.683472 0.901868 Tb\n0.027523 0.816528 0.598132 Tb\n0.848393 0.513699 0.750000 Tb\n0.348393 0.986301 0.750000 Tb\n0.151607 0.486301 0.250000 Tb\n0.651607 0.013699 0.250000 Tb\n0.646827 0.972373 0.459919 Si\n0.146827 0.527627 0.040081 Si\n0.353173 0.027627 0.959919 Si\n0.853173 0.472373 0.540081 Si\n0.353173 0.027627 0.540081 Si\n0.853173 0.472373 0.959919 Si\n0.646827 0.972373 0.040081 Si\n0.146827 0.527627 0.459919 Si\n0.473659 0.397236 0.750000 Si\n0.973659 0.102764 0.750000 Si\n0.526341 0.602764 0.250000 Si\n0.026341 0.897236 0.250000 Si\n0.731955 0.875340 0.750000 Si\n0.231955 0.624660 0.750000 Si\n0.268045 0.124660 0.250000 Si\n0.768045 0.375340 0.250000 Si\n",
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{
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{
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