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{
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"formula_full": "Ca8 Be6 Al2 Si18 H6 O56",
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{
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{
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"structure_string": "Mg1 Zn3 Cu2 H14 S2 O18\n1.0\n5.436524 0.206594 -0.394246\n0.230548 6.457981 -0.824996\n-0.762835 -0.519283 11.995739\nMg Zn Cu H S O\n1 3 2 14 2 18\ndirect\n0.482108 0.748308 0.689821 Mg\n0.005782 0.003691 0.013468 Zn\n0.650538 0.835760 0.446661 Zn\n0.566100 0.344961 0.468058 Zn\n0.108077 0.017413 0.505200 Cu\n0.064721 0.526183 0.504012 Cu\n0.762090 0.346888 0.057734 H\n0.167474 0.615163 0.957249 H\n0.598391 0.236587 0.942254 H\n0.350339 0.719718 0.069338 H\n0.723470 0.618870 0.864981 H\n0.192405 0.331786 0.138945 H\n0.484204 0.749488 0.910830 H\n0.423788 0.191998 0.091352 H\n0.942643 0.230481 0.357272 H\n0.992635 0.826790 0.632253 H\n0.370699 0.060115 0.323021 H\n0.723434 0.055932 0.647378 H\n0.412686 0.578031 0.316849 H\n0.743624 0.398513 0.666654 H\n0.127118 0.253471 0.819008 S\n0.793405 0.716662 0.194977 S\n0.016494 0.244810 0.698538 O\n0.881240 0.783646 0.319148 O\n0.398255 0.273023 0.830443 O\n0.523480 0.678662 0.181775 O\n0.005521 0.435403 0.890757 O\n0.934332 0.520695 0.151769 O\n0.076384 0.052981 0.857127 O\n0.831696 0.887618 0.132614 O\n0.422656 0.076579 0.404926 O\n0.678228 0.912972 0.616819 O\n0.444720 0.591220 0.399811 O\n0.597802 0.466922 0.626653 O\n0.936286 0.264031 0.439116 O\n0.148933 0.785275 0.596895 O\n0.256867 0.746315 0.993737 O\n0.690012 0.212804 0.018288 O\n0.610109 0.743878 0.856458 O\n0.266013 0.187189 0.124060 O\n",
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{
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"structure_string": "Mg4 P12 H64 C12 N4 O48\n1.0\n9.297608 0.000000 0.000000\n0.000000 16.394192 0.000000\n-4.299558 0.000000 8.920260\nMg P H C N O\n4 12 64 12 4 48\ndirect\n0.538421 0.710155 0.670123 Mg\n0.461579 0.210155 0.829877 Mg\n0.461579 0.289845 0.329877 Mg\n0.538421 0.789845 0.170123 Mg\n0.939767 0.963015 0.716107 P\n0.060233 0.463015 0.783893 P\n0.060233 0.036985 0.283893 P\n0.939767 0.536985 0.216107 P\n0.539126 0.879524 0.880616 P\n0.460874 0.379524 0.619384 P\n0.460874 0.120476 0.119384 P\n0.539126 0.620476 0.380616 P\n0.170393 0.783684 0.489863 P\n0.829607 0.283684 0.010137 P\n0.829607 0.216316 0.510137 P\n0.170393 0.716316 0.989863 P\n0.921808 0.096568 0.730205 H\n0.078192 0.596568 0.769795 H\n0.078192 0.903432 0.269795 H\n0.921808 0.403432 0.230205 H\n0.762537 0.916821 0.867700 H\n0.237463 0.416821 0.632300 H\n0.237463 0.083179 0.132300 H\n0.762537 0.583179 0.367700 H\n0.017409 0.668471 0.414959 H\n0.982591 0.168471 0.085041 H\n0.982591 0.331529 0.585041 H\n0.017409 0.831529 0.914959 H\n0.852688 0.665875 0.828007 H\n0.147312 0.165875 0.671993 H\n0.147312 0.334125 0.171993 H\n0.852688 0.834125 0.328007 H\n0.683906 0.767581 0.506343 H\n0.316094 0.267581 0.993657 H\n0.316094 0.232419 0.493657 H\n0.683906 0.732419 0.006343 H\n0.217616 0.929550 0.895747 H\n0.782384 0.429550 0.604253 H\n0.782384 0.070450 0.104253 H\n0.217616 0.570450 0.395747 H\n0.203118 0.022970 0.801621 H\n0.796882 0.522970 0.698379 H\n0.796882 0.977030 0.198379 H\n0.203118 0.477030 0.301621 H\n0.249841 0.798114 0.760284 H\n0.750159 0.298114 0.739716 H\n0.750159 0.201886 0.239716 H\n0.249841 0.701886 0.260284 H\n0.047502 0.824855 0.646959 H\n0.952498 0.324855 0.853041 H\n0.952498 0.175145 0.353041 H\n0.047502 0.675145 0.146959 H\n0.153027 0.951340 0.576837 H\n0.846973 0.451340 0.923163 H\n0.846973 0.048660 0.423163 H\n0.153027 0.548660 0.076837 H\n0.405532 0.002228 0.750511 H\n0.594468 0.502228 0.749489 H\n0.594468 0.997772 0.249489 H\n0.405532 0.497772 0.250511 H\n0.407869 0.925099 0.624408 H\n0.592131 0.425099 0.875592 H\n0.592131 0.074901 0.375592 H\n0.407869 0.574901 0.124408 H\n0.396846 0.667716 0.853566 H\n0.603154 0.167716 0.646434 H\n0.603154 0.332284 0.146434 H\n0.396846 0.832284 0.353566 H\n0.318789 0.610328 0.713245 H\n0.681211 0.110328 0.786755 H\n0.681211 0.389672 0.286755 H\n0.318789 0.889672 0.213245 H\n0.774767 0.612041 0.909931 H\n0.225233 0.112041 0.590069 H\n0.225233 0.387959 0.090069 H\n0.774767 0.887959 0.409931 H\n0.762261 0.819340 0.662317 H\n0.237739 0.319340 0.837683 H\n0.237739 0.180660 0.337683 H\n0.762261 0.680660 0.162317 H\n0.159185 0.959967 0.786777 C\n0.840815 0.459967 0.713223 C\n0.840815 0.040033 0.213223 C\n0.159185 0.540033 0.286777 C\n0.387228 0.937079 0.723621 C\n0.612772 0.437079 0.776379 C\n0.612772 0.062921 0.276379 C\n0.387228 0.562921 0.223621 C\n0.169861 0.830790 0.658522 C\n0.830139 0.330790 0.841478 C\n0.830139 0.169210 0.341478 C\n0.169861 0.669210 0.158522 C\n0.212727 0.919853 0.679360 N\n0.787273 0.419853 0.820640 N\n0.787273 0.080147 0.320640 N\n0.212727 0.580147 0.179360 N\n0.867946 0.963700 0.546148 O\n0.132054 0.463700 0.953852 O\n0.132054 0.036300 0.453852 O\n0.867946 0.536300 0.046148 O\n0.887676 0.892244 0.786888 O\n0.112324 0.392244 0.713112 O\n0.112324 0.107756 0.213112 O\n0.887676 0.607756 0.286888 O\n0.906509 0.044902 0.782093 O\n0.093491 0.544902 0.717907 O\n0.093491 0.955098 0.217907 O\n0.906509 0.455098 0.282093 O\n0.560881 0.796342 0.825882 O\n0.439119 0.296342 0.674118 O\n0.439119 0.203658 0.174118 O\n0.560881 0.703658 0.325882 O\n0.691813 0.935072 0.914886 O\n0.308187 0.435072 0.585114 O\n0.308187 0.064928 0.085114 O\n0.691813 0.564928 0.414886 O\n0.500437 0.880641 0.013754 O\n0.499563 0.380641 0.486246 O\n0.499563 0.119359 0.986246 O\n0.500437 0.619359 0.513754 O\n0.340176 0.778457 0.505470 O\n0.659824 0.278457 0.994530 O\n0.659824 0.221543 0.494530 O\n0.340176 0.721543 0.005470 O\n0.105578 0.696142 0.503519 O\n0.894422 0.196142 0.996481 O\n0.894422 0.303858 0.496481 O\n0.105578 0.803858 0.003519 O\n0.052306 0.829686 0.352982 O\n0.947694 0.329686 0.147018 O\n0.947694 0.170314 0.647018 O\n0.052306 0.670314 0.852982 O\n0.414448 0.642197 0.771776 O\n0.585552 0.142197 0.728224 O\n0.585552 0.357803 0.228224 O\n0.414448 0.857803 0.271776 O\n0.749655 0.654667 0.831981 O\n0.250345 0.154667 0.668019 O\n0.250345 0.345333 0.168019 O\n0.749655 0.845333 0.331981 O\n0.690580 0.774009 0.607371 O\n0.309420 0.274009 0.892629 O\n0.309420 0.225991 0.392629 O\n0.690580 0.725991 0.107371 O\n",
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"formula_full": "Mg4 P12 H64 C12 N4 O48",
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{
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{
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{
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}