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{
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{
"id": "mp-559139",
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"structure_string": "H32 C12 N8 O4\n1.0\n6.111678 0.000000 0.000000\n0.000000 8.815983 0.000000\n0.000000 5.654716 8.904338\nH C N O\n32 12 8 4\ndirect\n0.248743 0.219149 0.042540 H\n0.946153 0.175845 0.370213 H\n0.046722 0.529444 0.378922 H\n0.999467 0.199234 0.964300 H\n0.953278 0.470556 0.621078 H\n0.344043 0.060893 0.839094 H\n0.446153 0.824155 0.129787 H\n0.818963 0.703473 0.737918 H\n0.398668 0.011993 0.636985 H\n0.898668 0.988007 0.863015 H\n0.053847 0.824155 0.629787 H\n0.181037 0.296527 0.262082 H\n0.453278 0.529444 0.878922 H\n0.601332 0.988007 0.363015 H\n0.000533 0.800766 0.035700 H\n0.258430 0.627034 0.734853 H\n0.251257 0.219149 0.542540 H\n0.741570 0.372966 0.265147 H\n0.553847 0.175845 0.870213 H\n0.748743 0.780851 0.457460 H\n0.681037 0.703473 0.237918 H\n0.546722 0.470556 0.121078 H\n0.844043 0.939107 0.660906 H\n0.318963 0.296527 0.762082 H\n0.500533 0.199234 0.464300 H\n0.655957 0.939107 0.160906 H\n0.241570 0.627034 0.234853 H\n0.758430 0.372966 0.765147 H\n0.751257 0.780851 0.957460 H\n0.155957 0.060893 0.339094 H\n0.101332 0.011993 0.136985 H\n0.499467 0.800766 0.535700 H\n0.416180 0.159295 0.569033 C\n0.934931 0.812036 0.712482 C\n0.278214 0.674345 0.409735 C\n0.565069 0.812036 0.212482 C\n0.065069 0.187964 0.287518 C\n0.221786 0.674345 0.909735 C\n0.083820 0.159295 0.069033 C\n0.778214 0.325655 0.090265 C\n0.434931 0.187964 0.787518 C\n0.916180 0.840705 0.930967 C\n0.721786 0.325655 0.590265 C\n0.583820 0.840705 0.430967 C\n0.959558 0.218976 0.151928 N\n0.459558 0.781024 0.348072 N\n0.178882 0.613143 0.330033 N\n0.678882 0.386857 0.169967 N\n0.540442 0.218976 0.651928 N\n0.821118 0.386857 0.669967 N\n0.321118 0.613143 0.830033 N\n0.040442 0.781024 0.848072 N\n0.800459 0.362329 0.465588 O\n0.300459 0.637671 0.034412 O\n0.699541 0.362329 0.965588 O\n0.199541 0.637671 0.534412 O\n",
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{
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"structure_string": "Ca1 B2 H10 N2\n1.0\n2.236262 4.529960 0.000000\n-2.236262 4.529960 0.000000\n0.000000 0.380088 6.342298\nCa B H N\n1 2 10 2\ndirect\n0.435882 0.564118 0.000000 Ca\n0.801425 0.864408 0.210127 B\n0.135592 0.198575 0.789873 B\n0.575499 0.700875 0.417728 H\n0.299125 0.424501 0.582272 H\n0.609593 0.080092 0.687968 H\n0.919908 0.390407 0.312032 H\n0.048805 0.805806 0.295152 H\n0.194194 0.951195 0.704848 H\n0.849056 0.433588 0.744194 H\n0.566412 0.150944 0.255806 H\n0.849691 0.861147 0.015205 H\n0.138853 0.150309 0.984795 H\n0.713479 0.627645 0.279554 N\n0.372355 0.286521 0.720446 N\n",
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{
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"structure_string": "Al8 O12\n1.0\n4.846933 0.000000 0.000000\n0.000000 4.985404 0.000000\n0.000000 0.000000 7.089941\nAl O\n8 12\ndirect\n0.252152 0.030514 0.390395 Al\n0.252152 0.469486 0.609605 Al\n0.247848 0.530514 0.109605 Al\n0.247848 0.969486 0.890395 Al\n0.747848 0.969486 0.609605 Al\n0.747848 0.530514 0.390395 Al\n0.752152 0.469486 0.890395 Al\n0.752152 0.030514 0.109605 Al\n0.107021 0.101976 0.654002 O\n0.107021 0.398024 0.345998 O\n0.392979 0.601976 0.845998 O\n0.392979 0.898024 0.154002 O\n0.892979 0.898024 0.345998 O\n0.892979 0.601976 0.654002 O\n0.607021 0.398024 0.154002 O\n0.607021 0.101976 0.845998 O\n0.049404 0.250000 0.000000 O\n0.450596 0.750000 0.500000 O\n0.950596 0.750000 0.000000 O\n0.549404 0.250000 0.500000 O\n",
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{
"id": "mp-768059",
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"structure_string": "Li7 Ni9 O16\n1.0\n4.997086 0.000000 0.000000\n1.623415 5.514957 0.000000\n2.350377 2.276665 9.946043\nLi Ni O\n7 9 16\ndirect\n0.994399 0.812900 0.626840 Li\n0.999847 0.936088 0.872086 Li\n0.000153 0.063912 0.127914 Li\n0.000096 0.440596 0.874785 Li\n0.005601 0.187100 0.373160 Li\n0.999904 0.559404 0.125215 Li\n0.500000 0.500000 0.500000 Li\n0.001488 0.316568 0.621673 Ni\n0.505053 0.121988 0.749443 Ni\n0.494947 0.878012 0.250557 Ni\n0.499234 0.250624 0.000355 Ni\n0.500000 0.000000 0.500000 Ni\n0.500640 0.624377 0.746581 Ni\n0.499360 0.375623 0.253419 Ni\n0.500766 0.749376 0.999645 Ni\n0.998512 0.683432 0.378327 Ni\n0.271250 0.978609 0.689385 O\n0.271168 0.849439 0.420732 O\n0.711664 0.916925 0.069734 O\n0.288336 0.083075 0.930266 O\n0.266640 0.438428 0.698024 O\n0.270572 0.199429 0.190436 O\n0.728750 0.021391 0.310615 O\n0.732906 0.271102 0.807368 O\n0.276318 0.582188 0.942982 O\n0.723682 0.417812 0.057018 O\n0.245099 0.342269 0.437576 O\n0.728832 0.150561 0.579268 O\n0.729428 0.800571 0.809564 O\n0.267094 0.728898 0.192632 O\n0.733360 0.561572 0.301976 O\n0.754901 0.657731 0.562424 O\n",
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{
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{
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{
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