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{
"id": "mp-569292",
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"structure_string": "Zr4 Cu4 H32 C8 N4 Cl24\n1.0\n9.807090 0.000000 0.000000\n0.000000 10.669302 0.000000\n0.000000 4.273213 11.902918\nZr Cu H C N Cl\n4 4 32 8 4 24\ndirect\n0.752856 0.250530 0.500662 Zr\n0.247144 0.749470 0.499338 Zr\n0.747144 0.250530 0.000662 Zr\n0.252856 0.749470 0.999338 Zr\n0.299609 0.744330 0.260750 Cu\n0.200391 0.744330 0.760750 Cu\n0.799609 0.255670 0.239250 Cu\n0.700391 0.255670 0.739250 Cu\n0.607065 0.616023 0.702920 H\n0.842830 0.673673 0.362832 H\n0.625848 0.825569 0.556607 H\n0.713263 0.787858 0.285341 H\n0.157170 0.326327 0.637168 H\n0.342830 0.326327 0.137168 H\n0.786737 0.787858 0.785341 H\n0.892935 0.616023 0.202920 H\n0.726228 0.601997 0.223686 H\n0.374152 0.174431 0.443393 H\n0.273772 0.398003 0.776314 H\n0.392935 0.383977 0.297080 H\n0.657170 0.673673 0.862832 H\n0.286737 0.212142 0.714659 H\n0.692393 0.819795 0.075549 H\n0.107065 0.383977 0.797080 H\n0.776746 0.698836 0.027386 H\n0.109672 0.177407 0.748619 H\n0.226228 0.398003 0.276314 H\n0.125848 0.174431 0.943393 H\n0.723254 0.698836 0.527386 H\n0.307607 0.180205 0.924451 H\n0.807607 0.819795 0.575549 H\n0.773772 0.601997 0.723686 H\n0.276746 0.301164 0.472614 H\n0.390328 0.177407 0.248619 H\n0.192393 0.180205 0.424451 H\n0.213263 0.212142 0.214659 H\n0.890328 0.822593 0.251381 H\n0.223254 0.301164 0.972614 H\n0.609672 0.822593 0.751381 H\n0.874152 0.825569 0.056607 H\n0.313301 0.255780 0.219114 C\n0.186699 0.255780 0.719114 C\n0.813301 0.744220 0.280886 C\n0.715121 0.760549 0.580763 C\n0.686699 0.744220 0.780886 C\n0.284879 0.239451 0.419237 C\n0.215121 0.239451 0.919237 C\n0.784879 0.760549 0.080763 C\n0.195399 0.329170 0.800750 N\n0.695399 0.670830 0.699250 N\n0.304601 0.329170 0.300750 N\n0.804601 0.670830 0.199250 N\n0.080841 0.917286 0.406480 Cl\n0.161312 0.598324 0.395477 Cl\n0.573114 0.148221 0.645364 Cl\n0.426886 0.851779 0.354636 Cl\n0.427930 0.645180 0.155524 Cl\n0.073114 0.851779 0.854636 Cl\n0.663053 0.115162 0.386528 Cl\n0.838688 0.401676 0.604523 Cl\n0.836947 0.115162 0.886528 Cl\n0.336947 0.884838 0.613472 Cl\n0.927930 0.354820 0.344476 Cl\n0.163053 0.884838 0.113472 Cl\n0.580841 0.082714 0.093520 Cl\n0.072070 0.645180 0.655524 Cl\n0.419159 0.917286 0.906480 Cl\n0.096251 0.563782 0.105330 Cl\n0.919159 0.082714 0.593520 Cl\n0.903749 0.436218 0.894670 Cl\n0.572070 0.354820 0.844476 Cl\n0.338688 0.598324 0.895477 Cl\n0.596251 0.436218 0.394670 Cl\n0.661312 0.401676 0.104523 Cl\n0.926886 0.148221 0.145364 Cl\n0.403749 0.563782 0.605330 Cl\n",
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"formula_full": "Zr4 Cu4 H32 C8 N4 Cl24",
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},
{
"id": "mp-1196463",
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"structure_string": "Ag4 H48 C16 S8 N20 O12\n1.0\n3.388346 9.819769 0.000000\n-3.388346 9.819769 0.000000\n0.000000 0.277248 18.929518\nAg H C S N O\n4 48 16 8 20 12\ndirect\n0.805010 0.194990 0.250000 Ag\n0.194990 0.805010 0.750000 Ag\n0.306850 0.693150 0.250000 Ag\n0.693150 0.306850 0.750000 Ag\n0.499425 0.181215 0.424547 H\n0.818785 0.500575 0.075453 H\n0.500575 0.818785 0.575453 H\n0.181215 0.499425 0.924547 H\n0.256111 0.498163 0.471932 H\n0.501837 0.743889 0.028068 H\n0.743889 0.501837 0.528068 H\n0.498163 0.256111 0.971932 H\n0.691921 0.095693 0.368304 H\n0.904307 0.308079 0.131696 H\n0.308079 0.904307 0.631696 H\n0.095693 0.691921 0.868304 H\n0.963959 0.696800 0.086686 H\n0.303200 0.036041 0.413314 H\n0.036041 0.303200 0.913314 H\n0.696800 0.963959 0.586686 H\n0.633135 0.964078 0.125271 H\n0.035922 0.366865 0.374729 H\n0.366865 0.035922 0.874729 H\n0.964078 0.633135 0.625271 H\n0.163602 0.617485 0.134571 H\n0.382515 0.836398 0.365429 H\n0.836398 0.382515 0.865429 H\n0.617485 0.163602 0.634571 H\n0.269998 0.757968 0.474080 H\n0.242032 0.730002 0.025920 H\n0.730002 0.242032 0.525920 H\n0.757968 0.269998 0.974080 H\n0.119458 0.838913 0.398281 H\n0.161087 0.880542 0.101719 H\n0.880542 0.161087 0.601719 H\n0.838913 0.119458 0.898281 H\n0.041981 0.838245 0.482845 H\n0.161755 0.958019 0.017155 H\n0.958019 0.161755 0.517155 H\n0.838245 0.041981 0.982845 H\n0.491363 0.223254 0.240845 H\n0.776746 0.508637 0.259155 H\n0.508637 0.776746 0.759155 H\n0.223254 0.491363 0.740845 H\n0.545620 0.022824 0.273973 H\n0.977176 0.454380 0.226027 H\n0.454380 0.977176 0.726027 H\n0.022824 0.545620 0.773973 H\n0.368047 0.184164 0.201870 H\n0.815836 0.631953 0.298130 H\n0.631953 0.815836 0.798130 H\n0.184164 0.368047 0.701870 H\n0.468289 0.398842 0.400786 C\n0.601158 0.531711 0.099214 C\n0.531711 0.601158 0.599214 C\n0.398842 0.468289 0.900786 C\n0.176448 0.756080 0.449211 C\n0.243920 0.823552 0.050789 C\n0.823552 0.243920 0.550789 C\n0.756080 0.176448 0.949211 C\n0.876750 0.839164 0.182426 C\n0.160836 0.123250 0.317574 C\n0.123250 0.160836 0.817574 C\n0.839164 0.876750 0.682426 C\n0.512256 0.105566 0.225809 C\n0.894434 0.487744 0.274191 C\n0.487744 0.894434 0.774191 C\n0.105566 0.512256 0.725809 C\n0.568161 0.452284 0.354654 S\n0.547716 0.431839 0.145346 S\n0.431839 0.547716 0.645346 S\n0.452284 0.568161 0.854654 S\n0.957715 0.840856 0.261376 S\n0.159144 0.042285 0.238624 S\n0.042285 0.159144 0.738624 S\n0.840856 0.957715 0.761376 S\n0.296219 0.544831 0.440353 N\n0.455169 0.703781 0.059647 N\n0.703781 0.455169 0.559647 N\n0.544831 0.296219 0.940353 N\n0.566364 0.207756 0.400376 N\n0.792244 0.433636 0.099624 N\n0.433636 0.792244 0.599624 N\n0.207756 0.566364 0.900376 N\n0.677346 0.961526 0.173773 N\n0.038474 0.322654 0.326227 N\n0.322654 0.038474 0.826227 N\n0.961526 0.677346 0.673773 N\n0.010950 0.713262 0.129192 N\n0.286738 0.989050 0.370808 N\n0.989050 0.286738 0.870808 N\n0.713262 0.010950 0.629192 N\n0.271656 0.237918 0.020567 N\n0.762082 0.728344 0.479433 N\n0.728344 0.762082 0.979433 N\n0.237918 0.271656 0.520567 N\n0.377919 0.247317 0.044907 O\n0.752683 0.622081 0.455093 O\n0.622081 0.752683 0.955093 O\n0.247317 0.377919 0.544907 O\n0.204160 0.300318 0.956742 O\n0.699682 0.795840 0.543258 O\n0.795840 0.699682 0.043258 O\n0.300318 0.204160 0.456742 O\n0.233869 0.169764 0.057486 O\n0.830236 0.766131 0.442514 O\n0.766131 0.830236 0.942514 O\n0.169764 0.233869 0.557486 O\n",
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{
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"structure_string": "Li4 V3 Co1 Cu2 P6 O24\n1.0\n8.582197 0.000000 0.000000\n4.024511 7.604410 0.000000\n4.069122 2.443405 7.197599\nLi V Co Cu P O\n4 3 1 2 6 24\ndirect\n0.352299 0.752071 0.145472 Li\n0.656859 0.221609 0.844599 Li\n0.846534 0.656006 0.221762 Li\n0.218640 0.849206 0.656703 Li\n0.356770 0.357305 0.358366 V\n0.140452 0.142627 0.143692 V\n0.649894 0.645543 0.644370 V\n0.852284 0.853803 0.846327 Co\n0.987866 0.016046 0.997581 Cu\n0.499291 0.479315 0.513735 Cu\n0.450428 0.051864 0.750594 P\n0.753219 0.450951 0.050995 P\n0.052693 0.750522 0.452165 P\n0.959489 0.252244 0.539644 P\n0.254094 0.546567 0.959383 P\n0.541138 0.954589 0.249817 P\n0.698603 0.488209 0.886753 O\n0.891790 0.689196 0.492428 O\n0.491443 0.888821 0.693323 O\n0.263136 0.053146 0.918047 O\n0.605126 0.032205 0.807569 O\n0.423703 0.241771 0.592911 O\n0.909201 0.258797 0.070279 O\n0.584501 0.439209 0.236490 O\n0.995915 0.186966 0.385599 O\n0.247908 0.596881 0.423035 O\n0.946472 0.092924 0.731640 O\n0.205459 0.378286 0.004686 O\n0.810972 0.606004 0.028671 O\n0.072039 0.902701 0.255784 O\n0.761521 0.405624 0.565731 O\n0.030458 0.810971 0.603895 O\n0.412786 0.567532 0.762603 O\n0.092889 0.734914 0.935677 O\n0.574542 0.761212 0.407053 O\n0.386878 0.967521 0.195541 O\n0.732982 0.944348 0.088568 O\n0.487553 0.117746 0.308837 O\n0.110074 0.326519 0.496397 O\n0.315101 0.528230 0.110276 O\n",
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{
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{
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{
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{
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"structure_string": "K5 Au5 C10 I2 N10 O2\n1.0\n12.293123 0.000000 0.000000\n-0.614997 7.359918 0.000000\n-1.446975 -3.800742 8.926702\nK Au C I N O\n5 5 10 2 10 2\ndirect\n0.500000 0.000000 0.000000 K\n0.589602 0.662720 0.985888 K\n0.410398 0.337280 0.014112 K\n0.454978 0.806997 0.453392 K\n0.545022 0.193003 0.546608 K\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n0.000000 0.500000 0.000000 Au\n0.020157 0.751192 0.737503 Au\n0.979843 0.248808 0.262497 Au\n0.212649 0.992923 0.160340 C\n0.787351 0.007077 0.839660 C\n0.793220 0.914571 0.351001 C\n0.206780 0.085429 0.648999 C\n0.230411 0.545759 0.123947 C\n0.769589 0.454241 0.876053 C\n0.805850 0.720529 0.697743 C\n0.194150 0.279471 0.302257 C\n0.233152 0.774906 0.770906 C\n0.766848 0.225094 0.229094 C\n0.994172 0.647334 0.282746 I\n0.005828 0.352666 0.717254 I\n0.338567 0.989514 0.253290 N\n0.661433 0.010486 0.746710 N\n0.671181 0.863154 0.262263 N\n0.328819 0.136846 0.737737 N\n0.344736 0.611026 0.122416 N\n0.655264 0.388974 0.877584 N\n0.678995 0.705050 0.673359 N\n0.321005 0.294950 0.326641 N\n0.356903 0.784009 0.780652 N\n0.643097 0.215991 0.219348 N\n0.662135 0.489266 0.730219 O\n0.337865 0.510734 0.269781 O\n",
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{
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"structure_string": "Rb2 P2 H12 C4 N8 O8\n1.0\n0.000000 -5.338267 -5.824048\n0.000000 -5.338267 5.824048\n-6.472439 5.338267 0.000000\nRb P H C N O\n2 2 12 4 8 8\ndirect\n0.263376 0.736624 0.500000 Rb\n0.013376 0.986624 0.000000 Rb\n0.586299 0.413701 0.500000 P\n0.336299 0.663701 0.000000 P\n0.093639 0.111656 0.473784 H\n0.888344 0.906361 0.526216 H\n0.869855 0.387872 0.026216 H\n0.612128 0.130145 0.973784 H\n0.174161 0.371522 0.600956 H\n0.628478 0.825839 0.399044 H\n0.823205 0.520566 0.899044 H\n0.479434 0.176795 0.100956 H\n0.311895 0.418584 0.086385 H\n0.581416 0.688105 0.913615 H\n0.475510 0.082199 0.413615 H\n0.917801 0.524490 0.586385 H\n0.203057 0.248828 0.779709 C\n0.751172 0.796943 0.220291 C\n0.673348 0.219119 0.720291 C\n0.780881 0.326652 0.279709 C\n0.176625 0.246289 0.608446 N\n0.753711 0.823375 0.391554 N\n0.818179 0.387843 0.891554 N\n0.612157 0.181821 0.108446 N\n0.279144 0.429763 0.959007 N\n0.570237 0.720856 0.040993 N\n0.570138 0.220756 0.540993 N\n0.779244 0.429862 0.459007 N\n0.162508 0.088395 0.777027 O\n0.911605 0.837492 0.222973 O\n0.635480 0.061367 0.722973 O\n0.938633 0.364520 0.277027 O\n0.651204 0.606343 0.696208 O\n0.393657 0.348796 0.303792 O\n0.204996 0.660136 0.803792 O\n0.339864 0.795004 0.196208 O\n",
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{
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"structure_string": "K2 Ba1 Li1 Co1 N6 O12\n1.0\n6.667946 -0.011801 -3.825696\n-2.142667 6.734372 -3.748405\n-0.067382 0.002965 7.658891\nK Ba Li Co N O\n2 1 1 1 6 12\ndirect\n0.252176 0.759890 0.504042 K\n0.709624 0.138454 0.416466 K\n0.496031 0.487982 0.992295 Ba\n0.865752 0.593343 0.735046 Li\n0.000417 0.002456 0.001858 Co\n0.199013 0.816740 0.020049 N\n0.805104 0.193599 0.997773 N\n0.194797 0.193906 0.389402 N\n0.818303 0.817922 0.617504 N\n0.193859 0.193687 0.000103 N\n0.799082 0.818538 0.000146 N\n0.652279 0.168922 0.801409 O\n0.838963 0.341907 0.189260 O\n0.153149 0.655456 0.824318 O\n0.363578 0.848120 0.210890 O\n0.366830 0.169954 0.024195 O\n0.671702 0.652972 0.502206 O\n0.834586 0.656539 0.992272 O\n0.635753 0.846908 0.995481 O\n0.846392 0.850726 0.486581 O\n0.351614 0.344455 0.504681 O\n0.149264 0.167633 0.515061 O\n0.149944 0.342394 0.987297 O\n",
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]
}