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{
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{
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{
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{
"id": "mp-505574",
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"structure_string": "Co8 Mo16 C4\n1.0\n0.000000 5.649414 5.649414\n5.649414 0.000000 5.649414\n5.649414 5.649414 0.000000\nCo Mo C\n8 16 4\ndirect\n0.918762 0.243713 0.918762 Co\n0.331238 0.331238 0.006287 Co\n0.006287 0.331238 0.331238 Co\n0.331238 0.331238 0.331238 Co\n0.243713 0.918762 0.918762 Co\n0.918762 0.918762 0.918762 Co\n0.918762 0.918762 0.243713 Co\n0.331238 0.006287 0.331238 Co\n0.125000 0.625000 0.125000 Mo\n0.125000 0.125000 0.625000 Mo\n0.625000 0.125000 0.125000 Mo\n0.125000 0.125000 0.125000 Mo\n0.937769 0.937769 0.562231 Mo\n0.687769 0.312231 0.312231 Mo\n0.312231 0.687769 0.687769 Mo\n0.687769 0.687769 0.312231 Mo\n0.687769 0.312231 0.687769 Mo\n0.312231 0.687769 0.312231 Mo\n0.562231 0.937769 0.562231 Mo\n0.562231 0.937769 0.937769 Mo\n0.937769 0.562231 0.562231 Mo\n0.937769 0.562231 0.937769 Mo\n0.312231 0.312231 0.687769 Mo\n0.562231 0.562231 0.937769 Mo\n0.625000 0.125000 0.625000 C\n0.625000 0.625000 0.125000 C\n0.125000 0.625000 0.625000 C\n0.625000 0.625000 0.625000 C\n",
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{
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"structure_string": "Co8 Mo12 N4\n1.0\n6.667918 0.000000 0.000000\n0.000000 6.667918 0.000000\n0.000000 0.000000 6.667918\nCo Mo N\n8 12 4\ndirect\n0.069010 0.069010 0.069010 Co\n0.319010 0.180990 0.819010 Co\n0.819010 0.319010 0.180990 Co\n0.180990 0.819010 0.319010 Co\n0.430990 0.930990 0.569010 Co\n0.569010 0.430990 0.930990 Co\n0.930990 0.569010 0.430990 Co\n0.680990 0.680990 0.680990 Co\n0.125000 0.201401 0.451401 Mo\n0.375000 0.798599 0.951401 Mo\n0.875000 0.701401 0.048599 Mo\n0.201401 0.451401 0.125000 Mo\n0.798599 0.951401 0.375000 Mo\n0.048599 0.875000 0.701401 Mo\n0.451401 0.125000 0.201401 Mo\n0.298599 0.548599 0.625000 Mo\n0.951401 0.375000 0.798599 Mo\n0.548599 0.625000 0.298599 Mo\n0.701401 0.048599 0.875000 Mo\n0.625000 0.298599 0.548599 Mo\n0.375000 0.375000 0.375000 N\n0.625000 0.875000 0.125000 N\n0.125000 0.625000 0.875000 N\n0.875000 0.125000 0.625000 N\n",
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{
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"structure_string": "Co8 Mo12\n1.0\n4.187273 0.000000 0.000000\n0.000000 6.874002 0.000000\n0.000000 0.000000 9.917147\nCo Mo\n8 12\ndirect\n0.751765 0.088605 0.039999 Co\n0.251765 0.411395 0.460001 Co\n0.248235 0.588605 0.960001 Co\n0.748235 0.911395 0.539999 Co\n0.248235 0.911395 0.960001 Co\n0.748235 0.588605 0.539999 Co\n0.751765 0.411395 0.039999 Co\n0.251765 0.088605 0.460001 Co\n0.752987 0.048607 0.323070 Mo\n0.252987 0.451393 0.176930 Mo\n0.247013 0.548607 0.676930 Mo\n0.747013 0.951393 0.823070 Mo\n0.247013 0.951393 0.676930 Mo\n0.747013 0.548607 0.823070 Mo\n0.752987 0.451393 0.323070 Mo\n0.252987 0.048607 0.176930 Mo\n0.747949 0.250000 0.624087 Mo\n0.247949 0.250000 0.875913 Mo\n0.252051 0.750000 0.375913 Mo\n0.752051 0.750000 0.124087 Mo\n",
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{
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"structure_string": "Co8 Ir2 N8\n1.0\n4.702294 -0.489832 -0.236101\n1.325054 4.829721 0.091712\n0.696942 2.335372 7.547190\nCo Ir N\n8 2 8\ndirect\n0.766315 0.563637 0.213223 Co\n0.233685 0.436363 0.786777 Co\n0.779785 0.225732 0.932057 Co\n0.220215 0.774268 0.067943 Co\n0.745605 0.477098 0.559661 Co\n0.254395 0.522902 0.440339 Co\n0.217956 0.017178 0.635662 Co\n0.782044 0.982822 0.364338 Co\n0.736540 0.803445 0.759871 Ir\n0.263460 0.196555 0.240129 Ir\n0.012208 0.733827 0.572936 N\n0.987792 0.266173 0.427064 N\n0.831769 0.824163 0.003151 N\n0.168231 0.175837 0.996849 N\n0.347353 0.729791 0.857497 N\n0.652647 0.270209 0.142503 N\n0.510132 0.760718 0.328298 N\n0.489868 0.239282 0.671702 N\n",
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{
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"structure_string": "Co8 Hg8 H8 S8 O44\n1.0\n6.196216 0.000000 0.000000\n0.000000 11.371530 0.000000\n0.000000 0.000000 13.329388\nCo Hg H S O\n8 8 8 8 44\ndirect\n0.019317 0.168680 0.124508 Co\n0.019317 0.331320 0.875492 Co\n0.980683 0.668680 0.375492 Co\n0.980683 0.831320 0.624508 Co\n0.980683 0.831320 0.875492 Co\n0.980683 0.668680 0.124508 Co\n0.019317 0.331320 0.624508 Co\n0.019317 0.168680 0.375492 Co\n0.200938 0.419917 0.250000 Hg\n0.200938 0.080083 0.750000 Hg\n0.799062 0.919917 0.250000 Hg\n0.799062 0.580083 0.750000 Hg\n0.523719 0.170095 0.250000 Hg\n0.523719 0.329905 0.750000 Hg\n0.476281 0.670095 0.250000 Hg\n0.476281 0.829905 0.750000 Hg\n0.308666 0.308831 0.029321 H\n0.308666 0.191169 0.970679 H\n0.691334 0.808831 0.470679 H\n0.691334 0.691169 0.529321 H\n0.691334 0.691169 0.970679 H\n0.691334 0.808831 0.029321 H\n0.308666 0.191169 0.529321 H\n0.308666 0.308831 0.470679 H\n0.733416 0.410742 0.077133 S\n0.733416 0.089258 0.922867 S\n0.266584 0.910742 0.422867 S\n0.266584 0.589258 0.577133 S\n0.266584 0.589258 0.922867 S\n0.266584 0.910742 0.077133 S\n0.733416 0.089258 0.577133 S\n0.733416 0.410742 0.422867 S\n0.115047 0.833783 0.135877 O\n0.115047 0.666217 0.864123 O\n0.884953 0.333783 0.364123 O\n0.884953 0.166217 0.635877 O\n0.884953 0.166217 0.864123 O\n0.884953 0.333783 0.135877 O\n0.115047 0.666217 0.635877 O\n0.115047 0.833783 0.364123 O\n0.213503 0.594882 0.031584 O\n0.213503 0.905118 0.968416 O\n0.786497 0.094882 0.468416 O\n0.786497 0.405118 0.531584 O\n0.786497 0.405118 0.968416 O\n0.786497 0.094882 0.031584 O\n0.213503 0.905118 0.531584 O\n0.213503 0.594882 0.468416 O\n0.241930 0.033130 0.116074 O\n0.241930 0.466870 0.883926 O\n0.758070 0.533130 0.383926 O\n0.758070 0.966870 0.616074 O\n0.758070 0.966870 0.883926 O\n0.758070 0.533130 0.116074 O\n0.241930 0.466870 0.616074 O\n0.241930 0.033130 0.383926 O\n0.509227 0.371594 0.095634 O\n0.509227 0.128406 0.904366 O\n0.490773 0.871594 0.404366 O\n0.490773 0.628406 0.595634 O\n0.490773 0.628406 0.904366 O\n0.490773 0.871594 0.095634 O\n0.509227 0.128406 0.595634 O\n0.509227 0.371594 0.404366 O\n0.163676 0.603553 0.250000 O\n0.163676 0.896447 0.750000 O\n0.836324 0.103553 0.250000 O\n0.836324 0.396447 0.750000 O\n0.211830 0.233674 0.250000 O\n0.211830 0.266326 0.750000 O\n0.788170 0.733674 0.250000 O\n0.788170 0.766326 0.750000 O\n0.205772 0.250000 0.000000 O\n0.794228 0.750000 0.500000 O\n0.794228 0.750000 0.000000 O\n0.205772 0.250000 0.500000 O\n",
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{
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