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{
"id": "mp-1120816",
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{
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{
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"structure_string": "P4 H64 C18 N36 O24\n1.0\n11.635551 0.000000 0.000000\n5.374312 10.635465 0.000000\n4.307895 3.543594 10.965531\nP H C N O\n4 64 18 36 24\ndirect\n0.115127 0.609784 0.990809 P\n0.884873 0.390216 0.009191 P\n0.412355 0.206479 0.986781 P\n0.587645 0.793521 0.013219 P\n0.280212 0.413402 0.048155 H\n0.719788 0.586598 0.951845 H\n0.959630 0.516983 0.096561 H\n0.040370 0.483017 0.903439 H\n0.292587 0.215407 0.224752 H\n0.707413 0.784593 0.775248 H\n0.000305 0.426262 0.366742 H\n0.999695 0.573738 0.633258 H\n0.107034 0.403612 0.230205 H\n0.892966 0.596388 0.769795 H\n0.525667 0.905701 0.362490 H\n0.474333 0.094299 0.637510 H\n0.483783 0.034115 0.225564 H\n0.516217 0.965885 0.774436 H\n0.245258 0.959853 0.733106 H\n0.754742 0.040147 0.266894 H\n0.097831 0.098124 0.732835 H\n0.902169 0.901876 0.267165 H\n0.574181 0.006723 0.046161 H\n0.425819 0.993277 0.953839 H\n0.830821 0.354915 0.254133 H\n0.169179 0.645085 0.745867 H\n0.539237 0.393182 0.878219 H\n0.460763 0.606818 0.121781 H\n0.622403 0.442706 0.920790 H\n0.377597 0.557294 0.079210 H\n0.521260 0.556739 0.390496 H\n0.478740 0.443261 0.609504 H\n0.630564 0.541265 0.253256 H\n0.369436 0.458735 0.746744 H\n0.898179 0.089140 0.873933 H\n0.101821 0.910860 0.126067 H\n0.926519 0.185036 0.913015 H\n0.073481 0.814964 0.086985 H\n0.042358 0.031888 0.392355 H\n0.957642 0.968112 0.607645 H\n0.007248 0.157548 0.256508 H\n0.992752 0.842452 0.743492 H\n0.947185 0.869645 0.923415 H\n0.052815 0.130355 0.076585 H\n0.793045 0.907839 0.944873 H\n0.206955 0.092161 0.055127 H\n0.756469 0.089722 0.756428 H\n0.243531 0.910278 0.243572 H\n0.607752 0.225293 0.760432 H\n0.392248 0.774707 0.239568 H\n0.256032 0.781785 0.901151 H\n0.743968 0.218215 0.098849 H\n0.366019 0.830547 0.895517 H\n0.633981 0.169453 0.104483 H\n0.647450 0.514164 0.721530 H\n0.352550 0.485836 0.278470 H\n0.963911 0.321706 0.584660 H\n0.036089 0.678294 0.415340 H\n0.850099 0.330675 0.720119 H\n0.149901 0.669325 0.279881 H\n0.435363 0.837898 0.583446 H\n0.564637 0.162102 0.416554 H\n0.467709 0.712262 0.720516 H\n0.532291 0.287738 0.279484 H\n0.721567 0.780136 0.215889 H\n0.278433 0.219864 0.784111 H\n0.872534 0.652311 0.217900 H\n0.127466 0.347689 0.782100 H\n0.160235 0.251564 0.385453 C\n0.839765 0.748436 0.614547 C\n0.354163 0.061749 0.384075 C\n0.645837 0.938251 0.615925 C\n0.212964 0.090641 0.563496 C\n0.787036 0.909359 0.436504 C\n0.681767 0.384895 0.409603 C\n0.318233 0.615105 0.590397 C\n0.873615 0.192871 0.412057 C\n0.126385 0.807129 0.587943 C\n0.725976 0.220222 0.588925 C\n0.274024 0.779778 0.411075 C\n0.800075 0.490762 0.565422 C\n0.199925 0.509238 0.434578 C\n0.604090 0.678302 0.564261 C\n0.395910 0.321698 0.435739 C\n0.753682 0.656102 0.387319 C\n0.246318 0.343898 0.612681 C\n0.128278 0.209090 0.506747 N\n0.871722 0.790910 0.493253 N\n0.271404 0.179438 0.321675 N\n0.728596 0.820562 0.678325 N\n0.325994 0.015042 0.505665 N\n0.674006 0.984958 0.494335 N\n0.084329 0.367300 0.322572 N\n0.915671 0.632700 0.677428 N\n0.462913 0.996587 0.319271 N\n0.537087 0.003413 0.680729 N\n0.183001 0.046205 0.684549 N\n0.816999 0.953795 0.315451 N\n0.643996 0.339209 0.530633 N\n0.356004 0.660791 0.469367 N\n0.796676 0.313581 0.348408 N\n0.203324 0.686419 0.651592 N\n0.840327 0.143864 0.532851 N\n0.159673 0.856136 0.467149 N\n0.608539 0.501417 0.346042 N\n0.391461 0.498583 0.653958 N\n0.983927 0.125796 0.349314 N\n0.016073 0.874204 0.650686 N\n0.692263 0.174018 0.709947 N\n0.307737 0.825982 0.290053 N\n0.838478 0.538769 0.444694 N\n0.161522 0.461231 0.555306 N\n0.682400 0.557958 0.626931 N\n0.317600 0.442042 0.373069 N\n0.637659 0.729491 0.443545 N\n0.362341 0.270509 0.556455 N\n0.875672 0.375760 0.628719 N\n0.124328 0.624240 0.371281 N\n0.492713 0.743673 0.627399 N\n0.507287 0.256327 0.372601 N\n0.787577 0.703507 0.266165 N\n0.212423 0.296493 0.733835 N\n0.249313 0.518930 0.033765 O\n0.750687 0.481070 0.966235 O\n0.001128 0.573862 0.102809 O\n0.998872 0.426138 0.897191 O\n0.098247 0.752068 0.966457 O\n0.901753 0.247932 0.033543 O\n0.105447 0.580354 0.884686 O\n0.894553 0.419646 0.115314 O\n0.312481 0.281193 0.078976 O\n0.687519 0.718807 0.921024 O\n0.353378 0.129482 0.960735 O\n0.646622 0.870518 0.039265 O\n0.469156 0.297965 0.872205 O\n0.530844 0.702035 0.127795 O\n0.529715 0.099521 0.059993 O\n0.470285 0.900479 0.940007 O\n0.579796 0.460111 0.856601 O\n0.420204 0.539889 0.143399 O\n0.932529 0.161373 0.842414 O\n0.067471 0.838627 0.157586 O\n0.867185 0.937556 0.891066 O\n0.132815 0.062444 0.108934 O\n0.332545 0.807033 0.848116 O\n0.667455 0.192967 0.151884 O\n",
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{
"id": "mp-1223934",
"created_at": "2022-09-04T14:40:06.535014Z",
"structure_string": "Ho1 U1 Te4\n1.0\n-2.097775 3.047394 7.063381\n2.097775 -3.047394 7.063381\n2.097775 3.047394 -7.063381\nHo U Te\n1 1 4\ndirect\n0.138502 0.138502 0.000000 Ho\n0.862890 0.862890 0.000000 U\n0.704871 0.204871 0.500000 Te\n0.296631 0.796631 0.500000 Te\n0.750813 0.498553 0.252260 Te\n0.246294 0.498553 0.747740 Te\n",
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{
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"structure_string": "Li4 Zn4 B4 O12\n1.0\n5.063292 0.000000 0.000000\n-2.530664 4.387656 0.000000\n-0.115024 -0.061135 11.502527\nLi Zn B O\n4 4 4 12\ndirect\n0.644675 0.651875 0.532372 Li\n0.650499 0.631041 0.716940 Li\n0.328582 0.359526 0.313842 Li\n0.343419 0.350881 0.935658 Li\n0.998053 0.669127 0.339676 Zn\n0.320094 0.980993 0.122913 Zn\n0.995266 0.322773 0.625476 Zn\n0.695617 0.015327 0.909178 Zn\n0.991755 0.330361 0.125802 B\n0.327670 0.988995 0.625229 B\n0.671518 0.019614 0.370519 B\n0.014836 0.667295 0.879382 B\n0.983213 0.586725 0.165177 O\n0.586347 0.955643 0.634363 O\n0.656874 0.736730 0.374557 O\n0.733168 0.655159 0.874790 O\n0.946524 0.281284 0.398964 O\n0.273297 0.938761 0.910620 O\n0.728675 0.078780 0.083469 O\n0.036485 0.730929 0.617115 O\n0.265406 0.332360 0.127054 O\n0.360765 0.280134 0.624523 O\n0.411551 0.033342 0.341493 O\n0.030709 0.407343 0.850886 O\n",
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{
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"structure_string": "Mn4 C20 Br4 O20\n1.0\n6.165184 0.000000 0.000000\n0.000000 11.469202 0.000000\n0.000000 0.000000 11.841848\nMn C Br O\n4 20 4 20\ndirect\n0.550599 0.750000 0.380407 Mn\n0.949401 0.750000 0.880407 Mn\n0.050599 0.250000 0.119593 Mn\n0.449401 0.250000 0.619593 Mn\n0.564757 0.133928 0.716073 C\n0.435243 0.633928 0.283927 C\n0.186633 0.368346 0.034306 C\n0.064757 0.866072 0.783927 C\n0.313368 0.368346 0.534306 C\n0.435243 0.866072 0.283927 C\n0.064757 0.633928 0.783927 C\n0.313368 0.131654 0.534306 C\n0.186633 0.131654 0.034306 C\n0.813368 0.868346 0.965694 C\n0.935243 0.366072 0.216073 C\n0.190364 0.750000 0.972250 C\n0.564757 0.366072 0.716073 C\n0.935243 0.133928 0.216073 C\n0.813368 0.631654 0.965694 C\n0.309636 0.750000 0.472250 C\n0.686632 0.631654 0.465694 C\n0.809636 0.250000 0.027750 C\n0.690364 0.250000 0.527750 C\n0.686632 0.868346 0.465694 C\n0.614996 0.750000 0.752541 Br\n0.114996 0.250000 0.747459 Br\n0.885004 0.750000 0.252541 Br\n0.385004 0.250000 0.247459 Br\n0.866690 0.436741 0.274958 O\n0.340158 0.750000 0.030980 O\n0.659842 0.250000 0.969020 O\n0.734751 0.943396 0.015633 O\n0.840158 0.250000 0.469020 O\n0.765249 0.943396 0.515633 O\n0.265249 0.443396 0.984367 O\n0.133310 0.936741 0.725042 O\n0.866690 0.063259 0.274958 O\n0.159842 0.750000 0.530980 O\n0.133310 0.563259 0.725042 O\n0.265249 0.056604 0.984367 O\n0.633310 0.063259 0.774958 O\n0.633310 0.436741 0.774958 O\n0.366690 0.563259 0.225042 O\n0.234751 0.056604 0.484367 O\n0.734751 0.556604 0.015633 O\n0.234751 0.443396 0.484367 O\n0.366690 0.936741 0.225042 O\n0.765249 0.556604 0.515633 O\n",
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{
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"structure_string": "Lu1 Ag1 O2\n1.0\n6.333533 -1.710511 0.000000\n6.333533 1.710511 0.000000\n5.871572 0.000000 2.926454\nLu Ag O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Ag\n0.888308 0.888308 0.888308 O\n0.111692 0.111692 0.111692 O\n",
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{
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"created_at": "2022-09-04T14:40:06.165847Z",
"structure_string": "Te2 Mo3 W1 Se2 S4\n1.0\n1.653518 -2.863977 0.000000\n1.653518 2.863977 0.000000\n0.000000 0.000000 39.127083\nTe Mo W Se S\n2 3 1 2 4\ndirect\n0.333333 0.666667 0.329882 Te\n0.333333 0.666667 0.232090 Te\n0.333333 0.666667 0.093487 Mo\n0.666667 0.333333 0.280973 Mo\n0.666667 0.333333 0.657570 Mo\n0.333333 0.666667 0.470861 W\n0.666667 0.333333 0.427746 Se\n0.666667 0.333333 0.514003 Se\n0.333333 0.666667 0.696635 S\n0.666667 0.333333 0.054461 S\n0.666667 0.333333 0.132509 S\n0.333333 0.666667 0.618528 S\n",
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