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{
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{
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"structure_string": "H14 S2 N4 O8\n1.0\n5.588455 0.000000 0.000000\n2.158147 5.183434 0.000000\n2.236836 1.943610 8.174597\nH S N O\n14 2 4 8\ndirect\n0.794955 0.822185 0.965171 H\n0.205045 0.177815 0.034829 H\n0.994840 0.756889 0.106904 H\n0.005160 0.243111 0.893096 H\n0.668583 0.949812 0.132348 H\n0.331417 0.050188 0.867652 H\n0.755212 0.621194 0.149212 H\n0.244788 0.378806 0.850788 H\n0.797359 0.233330 0.431549 H\n0.202641 0.766670 0.568451 H\n0.822722 0.100684 0.636353 H\n0.177278 0.899316 0.363647 H\n0.061194 0.229386 0.505445 H\n0.938806 0.770614 0.494555 H\n0.596905 0.624652 0.725165 S\n0.403095 0.375348 0.274835 S\n0.926204 0.127817 0.518399 N\n0.073796 0.872183 0.481601 N\n0.806171 0.790625 0.087139 N\n0.193829 0.209375 0.912861 N\n0.692851 0.662159 0.545108 O\n0.307149 0.337841 0.454892 O\n0.714215 0.342599 0.810844 O\n0.285785 0.657401 0.189156 O\n0.303582 0.693506 0.753673 O\n0.696418 0.306494 0.246327 O\n0.666527 0.804980 0.788799 O\n0.333473 0.195020 0.211201 O\n",
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{
"id": "mp-626282",
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"structure_string": "Sr2 H32 O20\n1.0\n6.256057 0.000000 0.000000\n0.238094 6.513843 0.000000\n0.091896 0.103847 11.207009\nSr H O\n2 32 20\ndirect\n0.006819 0.997982 0.749002 Sr\n0.996652 0.997437 0.249171 Sr\n0.445580 0.077992 0.632590 H\n0.294546 0.131458 0.524957 H\n0.635349 0.754154 0.646986 H\n0.689004 0.887867 0.531497 H\n0.282324 0.591073 0.643764 H\n0.129038 0.683447 0.544335 H\n0.971059 0.429128 0.634265 H\n0.662313 0.426468 0.661073 H\n0.867815 0.319962 0.523901 H\n0.398841 0.726665 0.149379 H\n0.457266 0.960844 0.129909 H\n0.610607 0.269201 0.146146 H\n0.679942 0.137079 0.030503 H\n0.040511 0.453049 0.127865 H\n0.278677 0.378315 0.149795 H\n0.737775 0.608524 0.147300 H\n0.870136 0.686982 0.034110 H\n0.615241 0.751451 0.359172 H\n0.508767 0.979558 0.376982 H\n0.377343 0.249443 0.359776 H\n0.690831 0.423748 0.338083 H\n0.056258 0.273336 0.394986 H\n0.028471 0.553911 0.383580 H\n0.265851 0.629502 0.368021 H\n0.547636 0.034128 0.870329 H\n0.610423 0.269392 0.852764 H\n0.398368 0.722916 0.855050 H\n0.324400 0.857838 0.967661 H\n0.970180 0.553517 0.871774 H\n0.725752 0.614711 0.861413 H\n0.273321 0.385070 0.845515 H\n0.145268 0.316465 0.962134 H\n0.535112 0.526626 0.686920 O\n0.520493 0.494959 0.190491 O\n0.542961 0.493189 0.322409 O\n0.511676 0.498783 0.817478 O\n0.300550 0.133258 0.616047 O\n0.693023 0.889154 0.620897 O\n0.134794 0.652360 0.631483 O\n0.863774 0.322805 0.618943 O\n0.337169 0.863779 0.122165 O\n0.667136 0.129025 0.119762 O\n0.139571 0.328572 0.120250 O\n0.878033 0.671043 0.123242 O\n0.652307 0.893552 0.378698 O\n0.300112 0.125027 0.379358 O\n0.909991 0.340575 0.393564 O\n0.120329 0.682656 0.384759 O\n0.668942 0.128862 0.878622 O\n0.338109 0.863426 0.878614 O\n0.868316 0.674294 0.882160 O\n0.132893 0.329410 0.873487 O\n",
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{
"id": "mp-643907",
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"structure_string": "Zr8 Fe4 H20\n1.0\n6.920193 0.000000 0.000000\n0.000000 6.920193 0.000000\n0.000000 0.000000 5.652834\nZr Fe H\n8 4 20\ndirect\n0.161731 0.838269 0.250000 Zr\n0.161731 0.161731 0.750000 Zr\n0.838269 0.838269 0.750000 Zr\n0.838269 0.161731 0.250000 Zr\n0.338269 0.661731 0.750000 Zr\n0.338269 0.338269 0.250000 Zr\n0.661731 0.661731 0.250000 Zr\n0.661731 0.338269 0.750000 Zr\n0.000000 0.500000 0.487690 Fe\n0.000000 0.500000 0.987690 Fe\n0.500000 0.000000 0.512310 Fe\n0.500000 0.000000 0.012310 Fe\n0.500000 0.500000 0.500000 H\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.786649 0.417244 0.427084 H\n0.786649 0.582756 0.927084 H\n0.213351 0.417244 0.927084 H\n0.213351 0.582756 0.427084 H\n0.917244 0.286649 0.927084 H\n0.917244 0.713351 0.427084 H\n0.082756 0.286649 0.427084 H\n0.082756 0.713351 0.927084 H\n0.713351 0.082756 0.572916 H\n0.713351 0.917244 0.072916 H\n0.286649 0.082756 0.072916 H\n0.286649 0.917244 0.572916 H\n0.582756 0.213351 0.072916 H\n0.582756 0.786649 0.572916 H\n0.417244 0.213351 0.572916 H\n0.417244 0.786649 0.072916 H\n",
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{
"id": "mp-560899",
"created_at": "2022-09-04T14:46:19.687359Z",
"structure_string": "Ca4 B12 H20 O32\n1.0\n11.310612 0.000000 0.000000\n0.000000 6.141223 0.000000\n0.000000 3.034784 8.282876\nCa B H O\n4 12 20 32\ndirect\n0.705803 0.740508 0.113638 Ca\n0.287772 0.257011 0.384040 Ca\n0.787772 0.742989 0.615960 Ca\n0.205803 0.259492 0.886362 Ca\n0.171855 0.834079 0.287595 B\n0.214867 0.683775 0.582928 B\n0.714867 0.316225 0.417072 B\n0.831345 0.164541 0.211991 B\n0.671855 0.165921 0.712405 B\n0.050236 0.503153 0.470769 B\n0.550236 0.496847 0.529231 B\n0.951007 0.498644 0.030804 B\n0.793665 0.313568 0.915607 B\n0.331345 0.835459 0.788009 B\n0.451007 0.501356 0.969196 B\n0.293665 0.686432 0.084393 B\n0.081376 0.133786 0.171479 H\n0.982021 0.957385 0.957197 H\n0.602297 0.325235 0.073074 H\n0.021899 0.039873 0.543748 H\n0.524103 0.699563 0.673076 H\n0.917568 0.862580 0.330567 H\n0.581376 0.866214 0.828521 H\n0.417568 0.137420 0.669433 H\n0.973218 0.695755 0.177431 H\n0.508968 0.979390 0.224119 H\n0.029544 0.767944 0.654418 H\n0.473218 0.304245 0.822569 H\n0.521899 0.960127 0.456252 H\n0.529544 0.232056 0.345582 H\n0.102297 0.674765 0.926926 H\n0.482021 0.042615 0.042803 H\n0.411153 0.655582 0.381409 H\n0.008968 0.020610 0.775881 H\n0.911153 0.344418 0.618591 H\n0.024103 0.300437 0.326924 H\n0.922545 0.698296 0.084142 O\n0.337889 0.069669 0.668449 O\n0.231761 0.857355 0.436841 O\n0.056130 0.722713 0.334241 O\n0.073800 0.294955 0.422494 O\n0.431041 0.504745 0.460184 O\n0.573800 0.705045 0.577506 O\n0.447300 0.726148 0.833827 O\n0.021249 0.080532 0.866132 O\n0.521249 0.919468 0.133868 O\n0.837889 0.930331 0.331551 O\n0.570955 0.482616 0.038359 O\n0.272137 0.857101 0.937662 O\n0.482158 0.091229 0.368021 O\n0.755077 0.316038 0.270786 O\n0.162420 0.069426 0.170600 O\n0.662420 0.930574 0.829400 O\n0.982158 0.908771 0.631979 O\n0.255077 0.683962 0.729214 O\n0.644401 0.507050 0.406507 O\n0.422545 0.301704 0.915858 O\n0.556130 0.277287 0.665759 O\n0.931041 0.495255 0.539816 O\n0.144401 0.492950 0.593493 O\n0.749344 0.315816 0.769865 O\n0.858897 0.508497 0.906344 O\n0.947300 0.273852 0.166173 O\n0.070955 0.517384 0.961641 O\n0.731761 0.142645 0.563159 O\n0.249344 0.684184 0.230135 O\n0.358897 0.491503 0.093656 O\n0.772137 0.142899 0.062338 O\n",
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{
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"structure_string": "Li2 B2 H8\n1.0\n2.090002 -3.619989 0.000000\n2.090002 3.619989 0.000000\n0.000000 0.000000 6.709922\nLi B H\n2 2 8\ndirect\n0.666667 0.333333 0.505882 Li\n0.333333 0.666667 0.005882 Li\n0.666667 0.333333 0.057793 B\n0.333333 0.666667 0.557793 B\n0.666667 0.333333 0.876311 H\n0.333333 0.666667 0.376311 H\n0.825323 0.174677 0.118330 H\n0.825323 0.650646 0.118330 H\n0.349354 0.174677 0.118330 H\n0.174677 0.825323 0.618330 H\n0.174677 0.349354 0.618330 H\n0.650646 0.825323 0.618330 H\n",
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{
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{
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