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{
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{
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"structure_string": "Gd20 C8 Cl36\n1.0\n16.283510 0.000000 0.000000\n0.000000 9.351023 0.000000\n0.000000 6.520583 11.293671\nGd C Cl\n20 8 36\ndirect\n0.045254 0.325407 0.539123 Gd\n0.545254 0.674593 0.960877 Gd\n0.954746 0.674593 0.460877 Gd\n0.454746 0.325407 0.039123 Gd\n0.941614 0.119474 0.820984 Gd\n0.441614 0.880526 0.679016 Gd\n0.058386 0.880526 0.179016 Gd\n0.558386 0.119474 0.320984 Gd\n0.832990 0.498750 0.725346 Gd\n0.332990 0.501250 0.774654 Gd\n0.167010 0.501250 0.274654 Gd\n0.667010 0.498750 0.225346 Gd\n0.055242 0.508946 0.768159 Gd\n0.555242 0.491054 0.731841 Gd\n0.944758 0.491054 0.231841 Gd\n0.444758 0.508946 0.268159 Gd\n0.812014 0.263265 0.557605 Gd\n0.312014 0.736735 0.942395 Gd\n0.187986 0.736735 0.442395 Gd\n0.687986 0.263265 0.057605 Gd\n0.910605 0.365232 0.623294 C\n0.410605 0.634768 0.876706 C\n0.089395 0.634768 0.376706 C\n0.589395 0.365232 0.123294 C\n0.968277 0.427451 0.673385 C\n0.468277 0.572549 0.826615 C\n0.031723 0.572549 0.326615 C\n0.531723 0.427451 0.173385 C\n0.825389 0.790468 0.533578 Cl\n0.325389 0.209532 0.966422 Cl\n0.174611 0.209532 0.466422 Cl\n0.674611 0.790468 0.033578 Cl\n0.056339 0.186700 0.954728 Cl\n0.556339 0.813300 0.545272 Cl\n0.943661 0.813300 0.045272 Cl\n0.443661 0.186700 0.454728 Cl\n0.928717 0.594959 0.852535 Cl\n0.428717 0.405041 0.647465 Cl\n0.071283 0.405041 0.147465 Cl\n0.571283 0.594959 0.352535 Cl\n0.820804 0.978011 0.756486 Cl\n0.320804 0.021989 0.743514 Cl\n0.179196 0.021989 0.243514 Cl\n0.679196 0.978011 0.256486 Cl\n0.697110 0.397456 0.641700 Cl\n0.197110 0.602544 0.858300 Cl\n0.302890 0.602544 0.358300 Cl\n0.802890 0.397456 0.141700 Cl\n0.819273 0.198838 0.932242 Cl\n0.319273 0.801162 0.567758 Cl\n0.180727 0.801162 0.067758 Cl\n0.680727 0.198838 0.432242 Cl\n0.192266 0.431609 0.664633 Cl\n0.692266 0.568391 0.835367 Cl\n0.807734 0.568391 0.335367 Cl\n0.307734 0.431609 0.164633 Cl\n0.066749 0.809471 0.558369 Cl\n0.566749 0.190529 0.941631 Cl\n0.933251 0.190529 0.441631 Cl\n0.433251 0.809471 0.058369 Cl\n0.063812 0.021925 0.739072 Cl\n0.563812 0.978075 0.760928 Cl\n0.936188 0.978075 0.260928 Cl\n0.436188 0.021925 0.239072 Cl\n",
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{
"id": "mp-1104250",
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"structure_string": "Dy4 Fe2 C8\n1.0\n0.000000 0.000000 5.024132\n3.734536 4.806568 2.512066\n-3.734536 4.806568 2.512066\nDy Fe C\n4 2 8\ndirect\n0.644665 0.198282 0.512388 Dy\n0.355335 0.801718 0.487612 Dy\n0.144665 0.512388 0.198282 Dy\n0.855335 0.487612 0.801718 Dy\n0.250000 0.000000 0.000000 Fe\n0.750000 0.000000 0.000000 Fe\n0.871823 0.790882 0.465471 C\n0.128177 0.209118 0.534529 C\n0.371823 0.465471 0.790882 C\n0.628177 0.534529 0.209118 C\n0.922347 0.912753 0.242552 C\n0.077653 0.087247 0.757448 C\n0.422347 0.242552 0.912753 C\n0.577653 0.757448 0.087247 C\n",
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{
"id": "mp-696987",
"created_at": "2022-09-04T14:47:12.900174Z",
"structure_string": "Cs4 H4 C8 O16\n1.0\n7.067781 0.000000 0.000000\n0.000000 7.058433 0.000000\n0.000000 1.445222 10.397270\nCs H C O\n4 4 8 16\ndirect\n0.982925 0.993682 0.771092 Cs\n0.482925 0.506318 0.228908 Cs\n0.017075 0.006318 0.228908 Cs\n0.517075 0.493682 0.771092 Cs\n0.571850 0.941346 0.287124 H\n0.071850 0.558654 0.712876 H\n0.428150 0.058654 0.712876 H\n0.928150 0.441346 0.287124 H\n0.017927 0.536365 0.066776 C\n0.517927 0.963635 0.933224 C\n0.982073 0.463635 0.933224 C\n0.482073 0.036365 0.066776 C\n0.916500 0.428341 0.497498 C\n0.416500 0.071659 0.502502 C\n0.083500 0.571659 0.502502 C\n0.583500 0.928341 0.497498 C\n0.931137 0.436466 0.161438 O\n0.431137 0.063534 0.838562 O\n0.068863 0.563534 0.838562 O\n0.568863 0.936466 0.161438 O\n0.622761 0.822762 0.927937 O\n0.122761 0.677238 0.072063 O\n0.377239 0.177238 0.072063 O\n0.877239 0.322762 0.927937 O\n0.634272 0.887899 0.384921 O\n0.134272 0.612101 0.615079 O\n0.365728 0.112101 0.615079 O\n0.865728 0.387899 0.384921 O\n0.337633 0.142411 0.402124 O\n0.837633 0.357589 0.597876 O\n0.662367 0.857589 0.597876 O\n0.162367 0.642411 0.402124 O\n",
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{
"id": "mp-1363453",
"created_at": "2022-09-04T14:47:12.919225Z",
"structure_string": "Mg16 Fe16 O40\n1.0\n5.992695 0.000000 0.000000\n-2.972565 5.381457 0.000000\n-0.083417 -3.076472 24.550679\nMg Fe O\n16 16 40\ndirect\n0.989297 0.994259 0.995950 Mg\n0.250000 0.373101 0.874413 Mg\n0.250539 0.875972 0.874110 Mg\n0.048480 0.774020 0.674943 Mg\n0.048790 0.276740 0.675383 Mg\n0.853134 0.185929 0.476555 Mg\n0.849756 0.688909 0.481997 Mg\n0.943645 0.471479 0.577573 Mg\n0.252161 0.882604 0.375674 Mg\n0.649436 0.573964 0.275256 Mg\n0.650975 0.076132 0.274801 Mg\n0.748633 0.878527 0.376565 Mg\n0.445077 0.959934 0.073598 Mg\n0.050575 0.270186 0.173657 Mg\n0.450357 0.460890 0.068175 Mg\n0.552786 0.270817 0.172853 Mg\n0.707540 0.347024 0.947603 Fe\n0.508373 0.750655 0.751266 Fe\n0.358150 0.679955 0.974624 Fe\n0.758759 0.878610 0.874116 Fe\n0.794598 0.401661 0.798253 Fe\n0.312190 0.156338 0.552243 Fe\n0.418223 0.270986 0.414628 Fe\n0.152824 0.076490 0.774649 Fe\n0.551316 0.277302 0.675330 Fe\n0.589375 0.802057 0.604694 Fe\n0.079375 0.478985 0.344761 Fe\n0.357541 0.691376 0.484131 Fe\n0.878313 0.875968 0.138033 Fe\n0.151407 0.076306 0.274982 Fe\n0.218622 0.669342 0.206337 Fe\n0.946169 0.461094 0.065869 Fe\n0.070569 0.535000 0.925633 O\n0.456180 0.726911 0.829229 O\n0.546217 0.537347 0.924908 O\n0.542573 0.004787 0.924664 O\n0.871883 0.936237 0.725175 O\n0.955848 0.741587 0.824741 O\n0.953672 0.213155 0.824644 O\n0.253003 0.128271 0.628842 O\n0.044041 0.021597 0.916628 O\n0.347385 0.939922 0.724585 O\n0.345288 0.407105 0.724814 O\n0.432757 0.216274 0.824498 O\n0.668167 0.340330 0.521188 O\n0.749460 0.139904 0.627177 O\n0.062546 0.536945 0.420699 O\n0.746747 0.611330 0.626801 O\n0.845419 0.424319 0.720637 O\n0.159805 0.345148 0.519756 O\n0.151916 0.819279 0.523152 O\n0.231753 0.616770 0.626010 O\n0.445987 0.726751 0.324676 O\n0.579240 0.595835 0.430961 O\n0.544950 0.033371 0.422724 O\n0.860794 0.927354 0.223567 O\n0.654407 0.844207 0.522599 O\n0.963709 0.729599 0.323769 O\n0.923933 0.165867 0.320300 O\n0.058009 0.032351 0.422622 O\n0.240504 0.116105 0.127257 O\n0.376198 0.985063 0.229618 O\n0.336660 0.420457 0.226226 O\n0.643628 0.303193 0.027554 O\n0.756252 0.114989 0.127330 O\n0.439178 0.222711 0.326611 O\n0.722608 0.557026 0.118728 O\n0.853722 0.423537 0.225236 O\n0.152782 0.340667 0.026224 O\n0.144223 0.796662 0.029062 O\n0.238041 0.615039 0.130688 O\n0.613528 0.799388 0.027444 O\n",
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{
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"structure_string": "H8 C8\n1.0\n5.315095 3.000190 0.000000\n-5.315095 3.000190 0.000000\n0.000000 1.363698 4.666745\nH C\n8 8\ndirect\n0.363130 0.958958 0.273615 H\n0.041042 0.636870 0.726385 H\n0.636870 0.041042 0.726385 H\n0.958958 0.363130 0.273615 H\n0.285379 0.450852 0.836882 H\n0.549148 0.714621 0.163118 H\n0.714621 0.549148 0.163118 H\n0.450852 0.285379 0.836882 H\n0.181949 0.181949 0.239103 C\n0.818051 0.818051 0.760897 C\n0.380588 0.380588 0.968302 C\n0.619412 0.619412 0.031698 C\n0.202610 0.976843 0.372148 C\n0.023157 0.797390 0.627852 C\n0.797390 0.023157 0.627852 C\n0.976843 0.202610 0.372148 C\n",
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{
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"structure_string": "Ba6 Ir6 O18\n1.0\n2.911536 5.100664 0.000000\n-2.911536 5.100664 0.000000\n0.000000 3.434975 14.824392\nBa Ir O\n6 6 18\ndirect\n0.220012 0.220012 0.250486 Ba\n0.779988 0.779988 0.749514 Ba\n0.628777 0.628777 0.074351 Ba\n0.371223 0.371223 0.925649 Ba\n0.849455 0.849455 0.422352 Ba\n0.150545 0.150545 0.577648 Ba\n0.912851 0.912851 0.176298 Ir\n0.087149 0.087149 0.823702 Ir\n0.000000 0.000000 0.000000 Ir\n0.529654 0.529654 0.324924 Ir\n0.470346 0.470346 0.675076 Ir\n0.500000 0.500000 0.500000 Ir\n0.704455 0.704455 0.227997 O\n0.295545 0.295545 0.772003 O\n0.688933 0.189058 0.263631 O\n0.810942 0.311067 0.736369 O\n0.311067 0.810942 0.736369 O\n0.189058 0.688933 0.263631 O\n0.104174 0.104174 0.100756 O\n0.895826 0.895826 0.899244 O\n0.646290 0.118318 0.082535 O\n0.881682 0.353710 0.917465 O\n0.353710 0.881682 0.917465 O\n0.118318 0.646290 0.082535 O\n0.365914 0.827675 0.405064 O\n0.172325 0.634086 0.594936 O\n0.634086 0.172325 0.594936 O\n0.827675 0.365914 0.405064 O\n0.355637 0.355637 0.425700 O\n0.644363 0.644363 0.574300 O\n",
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{
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}