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{
"id": "mp-1198459",
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"structure_string": "Nd8 S12 O64\n1.0\n7.011336 0.000000 0.000000\n0.000000 12.888409 0.000000\n0.000000 12.430217 14.112115\nNd S O\n8 12 64\ndirect\n0.725388 0.080047 0.351624 Nd\n0.774612 0.080047 0.851624 Nd\n0.274612 0.919953 0.648376 Nd\n0.225388 0.919953 0.148376 Nd\n0.742214 0.450429 0.967737 Nd\n0.757786 0.450429 0.467737 Nd\n0.257786 0.549571 0.032263 Nd\n0.242214 0.549571 0.532263 Nd\n0.760494 0.463866 0.135723 S\n0.739506 0.463866 0.635723 S\n0.239506 0.536134 0.864277 S\n0.260494 0.536134 0.364277 S\n0.617311 0.179366 0.460761 S\n0.882689 0.179366 0.960761 S\n0.382689 0.820634 0.539239 S\n0.117311 0.820634 0.039239 S\n0.396514 0.191087 0.152611 S\n0.103486 0.191087 0.652611 S\n0.603486 0.808913 0.847389 S\n0.896514 0.808913 0.347389 S\n0.249322 0.298876 0.121404 O\n0.250678 0.298876 0.621404 O\n0.750678 0.701124 0.878596 O\n0.749322 0.701124 0.378596 O\n0.920454 0.488831 0.070447 O\n0.579546 0.488831 0.570447 O\n0.079546 0.511169 0.929553 O\n0.420454 0.511169 0.429553 O\n0.793346 0.095764 0.476225 O\n0.706654 0.095764 0.976225 O\n0.206654 0.904236 0.523775 O\n0.293346 0.904236 0.023775 O\n0.586417 0.459277 0.088876 O\n0.913583 0.459277 0.588876 O\n0.413583 0.540723 0.911124 O\n0.086417 0.540723 0.411124 O\n0.746637 0.571153 0.139647 O\n0.753363 0.571153 0.639647 O\n0.253363 0.428847 0.860353 O\n0.246637 0.428847 0.360353 O\n0.882635 0.870983 0.511655 O\n0.617365 0.870983 0.011655 O\n0.117365 0.129017 0.488345 O\n0.382635 0.129017 0.988345 O\n0.886632 0.241412 0.125842 O\n0.613368 0.241412 0.625842 O\n0.113368 0.758588 0.874158 O\n0.386632 0.758588 0.374158 O\n0.793324 0.324357 0.229204 O\n0.706676 0.324357 0.729204 O\n0.206676 0.675643 0.770796 O\n0.293324 0.675643 0.270796 O\n0.299497 0.070483 0.175660 O\n0.200503 0.070483 0.675660 O\n0.700503 0.929517 0.824340 O\n0.799497 0.929517 0.324340 O\n0.681140 0.315050 0.425701 O\n0.818860 0.315050 0.925701 O\n0.318860 0.684950 0.574299 O\n0.181140 0.684950 0.074299 O\n0.086084 0.103015 0.345603 O\n0.413916 0.103015 0.845603 O\n0.913916 0.896985 0.654397 O\n0.586084 0.896985 0.154397 O\n0.508116 0.106399 0.549319 O\n0.991884 0.106399 0.049319 O\n0.491884 0.893601 0.450681 O\n0.008116 0.893601 0.950681 O\n0.495343 0.150650 0.236342 O\n0.004657 0.150650 0.736342 O\n0.504657 0.849350 0.763658 O\n0.995343 0.849350 0.263658 O\n0.535164 0.248621 0.073823 O\n0.964836 0.248621 0.573823 O\n0.464836 0.751379 0.926177 O\n0.035164 0.751379 0.426177 O\n0.506278 0.189999 0.388787 O\n0.993722 0.189999 0.888787 O\n0.493722 0.810001 0.611213 O\n0.006278 0.810001 0.111213 O\n0.737473 0.600510 0.785920 O\n0.762527 0.600510 0.285920 O\n0.262527 0.399490 0.214080 O\n0.237473 0.399490 0.714080 O\n",
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"elements": [
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"formula_full": "Nd8 S12 O64",
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"energy": -548.42376032,
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},
{
"id": "mp-1238663",
"created_at": "2022-09-04T14:47:28.808766Z",
"structure_string": "Mn4 H48 C8 N4 Cl12 O8\n1.0\n6.469618 -10.101886 0.000000\n6.469618 10.101886 0.000000\n0.000000 0.000000 11.380382\nMn H C N Cl O\n4 48 8 4 12 8\ndirect\n0.398593 0.398593 0.584543 Mn\n0.601407 0.601407 0.415457 Mn\n0.101407 0.101407 0.084543 Mn\n0.898593 0.898593 0.915457 Mn\n0.830463 0.793486 0.641987 H\n0.206514 0.169537 0.358013 H\n0.706514 0.669537 0.141987 H\n0.330463 0.293486 0.858013 H\n0.169537 0.206514 0.358013 H\n0.793486 0.830463 0.641987 H\n0.293486 0.330463 0.858013 H\n0.669537 0.706514 0.141987 H\n0.511507 0.251925 0.010011 H\n0.748075 0.488493 0.989989 H\n0.248075 0.988493 0.510011 H\n0.011507 0.751925 0.489989 H\n0.488493 0.748075 0.989989 H\n0.251925 0.511507 0.010011 H\n0.751925 0.011507 0.489989 H\n0.988493 0.248075 0.510011 H\n0.596877 0.331736 0.562777 H\n0.668264 0.403123 0.437223 H\n0.168264 0.903123 0.062777 H\n0.096877 0.831736 0.937223 H\n0.403123 0.668264 0.437223 H\n0.331736 0.596877 0.562777 H\n0.831736 0.096877 0.937223 H\n0.903123 0.168264 0.062777 H\n0.313100 0.970354 0.907839 H\n0.029646 0.686900 0.092161 H\n0.529646 0.186900 0.407839 H\n0.813100 0.470354 0.592161 H\n0.686900 0.029646 0.092161 H\n0.970354 0.313100 0.907839 H\n0.470354 0.813100 0.592161 H\n0.186900 0.529646 0.407839 H\n0.289886 0.814565 0.879109 H\n0.185435 0.710114 0.120891 H\n0.685435 0.210114 0.379109 H\n0.789886 0.314565 0.620891 H\n0.710114 0.185435 0.120891 H\n0.814565 0.289886 0.879110 H\n0.314565 0.789886 0.620891 H\n0.210114 0.685435 0.379110 H\n0.614042 0.145012 0.515613 H\n0.854988 0.385958 0.484387 H\n0.354988 0.885958 0.015613 H\n0.114042 0.645012 0.984387 H\n0.385958 0.854988 0.484387 H\n0.145012 0.614042 0.515613 H\n0.645012 0.114042 0.984387 H\n0.885958 0.354988 0.015613 H\n0.288618 0.879551 0.946289 C\n0.120449 0.711382 0.053711 C\n0.620449 0.211382 0.446289 C\n0.788618 0.379551 0.553711 C\n0.711382 0.120449 0.053711 C\n0.879551 0.288618 0.946289 C\n0.379551 0.788618 0.553711 C\n0.211382 0.620449 0.446289 C\n0.664382 0.335618 0.500000 N\n0.164382 0.835618 0.000000 N\n0.335618 0.664382 0.500000 N\n0.835618 0.164382 0.000000 N\n0.086211 0.086211 0.880725 Cl\n0.913789 0.913789 0.119275 Cl\n0.413789 0.413789 0.380725 Cl\n0.586211 0.586211 0.619275 Cl\n0.520910 0.249331 0.897313 Cl\n0.750669 0.479090 0.102687 Cl\n0.250669 0.979090 0.397313 Cl\n0.020910 0.749331 0.602687 Cl\n0.479090 0.750669 0.102687 Cl\n0.249331 0.520910 0.897313 Cl\n0.749331 0.020910 0.602687 Cl\n0.979090 0.250669 0.397313 Cl\n0.204196 0.047694 0.131950 O\n0.952306 0.795804 0.868050 O\n0.452306 0.295804 0.631950 O\n0.704196 0.547694 0.368050 O\n0.795804 0.952306 0.868050 O\n0.047694 0.204196 0.131950 O\n0.547694 0.704196 0.368050 O\n0.295804 0.452306 0.631950 O\n",
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"elements": [
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"formula_full": "Mn4 H48 C8 N4 Cl12 O8",
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{
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"structure_string": "Rh12 S12 Cl60\n1.0\n-6.977175 0.000000 0.000000\n-3.480692 -13.462044 0.000000\n-3.427881 -0.095665 24.031911\nRh S Cl\n12 12 60\ndirect\n0.936895 0.281876 0.937776 Rh\n0.312892 0.206844 0.416167 Rh\n0.062013 0.706450 0.915796 Rh\n0.017780 0.488282 0.852181 Rh\n0.680585 0.794617 0.584875 Rh\n0.153138 0.218164 0.562465 Rh\n0.065356 0.717667 0.062031 Rh\n0.936808 0.294350 0.084830 Rh\n0.355512 0.011054 0.648125 Rh\n0.639922 0.990401 0.352501 Rh\n0.845156 0.781899 0.438036 Rh\n0.980299 0.511618 0.147440 Rh\n0.919600 0.870291 0.913256 S\n0.296161 0.370615 0.414425 S\n0.751424 0.485755 0.218354 S\n0.701929 0.630229 0.587023 S\n0.079382 0.130425 0.087455 S\n0.725527 0.255564 0.881610 S\n0.250605 0.514552 0.782452 S\n0.275815 0.743131 0.119045 S\n0.542059 0.987407 0.718714 S\n0.455203 0.012883 0.281787 S\n0.138680 0.757004 0.381713 S\n0.860666 0.242607 0.618672 S\n0.171513 0.042405 0.567747 Cl\n0.382402 0.106980 0.068473 Cl\n0.932634 0.915470 0.832492 Cl\n0.558229 0.392032 0.433649 Cl\n0.530633 0.817098 0.501628 Cl\n0.436302 0.608493 0.568925 Cl\n0.691158 0.288156 0.159994 Cl\n0.686446 0.584559 0.668022 Cl\n0.152284 0.318126 0.001927 Cl\n0.579512 0.154741 0.917578 Cl\n0.649494 0.344631 0.582505 Cl\n0.371027 0.840310 0.642061 Cl\n0.145138 0.340433 0.142016 Cl\n0.338050 0.184733 0.639207 Cl\n0.215042 0.542195 0.067687 Cl\n0.329344 0.387775 0.734796 Cl\n0.123261 0.679731 0.313334 Cl\n0.906243 0.887106 0.056979 Cl\n0.276890 0.734720 0.978715 Cl\n0.133895 0.214768 0.340274 Cl\n0.825188 0.958170 0.433000 Cl\n0.555877 0.887708 0.233845 Cl\n0.615422 0.890774 0.932776 Cl\n0.314806 0.416086 0.333741 Cl\n0.447597 0.888863 0.774096 Cl\n0.660890 0.816292 0.361490 Cl\n0.835462 0.684461 0.138465 Cl\n0.348969 0.655006 0.417629 Cl\n0.309918 0.715050 0.839795 Cl\n0.622958 0.161565 0.357654 Cl\n0.450105 0.114173 0.765643 Cl\n0.774478 0.472592 0.084091 Cl\n0.850661 0.612998 0.442217 Cl\n0.048430 0.043662 0.705509 Cl\n0.008768 0.235758 0.478725 Cl\n0.100547 0.111943 0.942820 Cl\n0.163835 0.316077 0.861785 Cl\n0.118663 0.820409 0.186912 Cl\n0.116457 0.614047 0.727534 Cl\n0.664673 0.972786 0.584604 Cl\n0.061924 0.087509 0.168716 Cl\n0.850808 0.681391 0.997856 Cl\n0.885945 0.385717 0.272655 Cl\n0.856403 0.788384 0.661747 Cl\n0.783960 0.456455 0.932228 Cl\n0.224787 0.528218 0.915979 Cl\n0.802379 0.457489 0.793812 Cl\n0.989294 0.764776 0.522383 Cl\n0.468937 0.181885 0.498792 Cl\n0.149502 0.387206 0.558645 Cl\n0.881619 0.180037 0.813172 Cl\n0.420649 0.844777 0.082238 Cl\n0.330749 0.028126 0.415369 Cl\n0.674209 0.611716 0.266367 Cl\n0.874550 0.319796 0.686953 Cl\n0.948565 0.959811 0.295254 Cl\n0.540440 0.115093 0.226992 Cl\n0.856075 0.660808 0.857439 Cl\n0.201304 0.543402 0.205187 Cl\n0.726218 0.262507 0.021489 Cl\n",
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},
{
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},
{
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"structure_string": "Rb24 Zn12 Br48\n1.0\n29.588724 0.000000 0.000000\n0.000000 13.736017 0.000000\n0.000000 0.000000 7.925907\nRb Zn Br\n24 12 48\ndirect\n0.670998 0.823909 0.750045 Rb\n0.329002 0.176091 0.250045 Rb\n0.829002 0.323909 0.250045 Rb\n0.170998 0.676091 0.750045 Rb\n0.792511 0.098568 0.758893 Rb\n0.207489 0.901432 0.258893 Rb\n0.707489 0.598568 0.258893 Rb\n0.292511 0.401432 0.758893 Rb\n0.836780 0.677012 0.760947 Rb\n0.163220 0.322988 0.260947 Rb\n0.663220 0.177012 0.260947 Rb\n0.336780 0.822988 0.760947 Rb\n0.958793 0.408869 0.720419 Rb\n0.041207 0.591131 0.220419 Rb\n0.541207 0.908869 0.220419 Rb\n0.458793 0.091131 0.720419 Rb\n0.495748 0.323527 0.220140 Rb\n0.504252 0.676473 0.720140 Rb\n0.004252 0.823527 0.720140 Rb\n0.995748 0.176473 0.220140 Rb\n0.875729 0.900318 0.237449 Rb\n0.124271 0.099682 0.737449 Rb\n0.624271 0.400318 0.737449 Rb\n0.375729 0.599682 0.237449 Rb\n0.592584 0.079830 0.731431 Zn\n0.407416 0.920170 0.231431 Zn\n0.907416 0.579830 0.231431 Zn\n0.092584 0.420170 0.731431 Zn\n0.742018 0.921427 0.247853 Zn\n0.257982 0.078573 0.747853 Zn\n0.757982 0.421427 0.747853 Zn\n0.242018 0.578573 0.247853 Zn\n0.574259 0.578833 0.252918 Zn\n0.425741 0.421167 0.752918 Zn\n0.925741 0.078833 0.752918 Zn\n0.074259 0.921167 0.252918 Zn\n0.673799 0.080924 0.709741 Br\n0.326201 0.919076 0.209741 Br\n0.826201 0.580924 0.209741 Br\n0.173799 0.419076 0.709741 Br\n0.559603 0.917840 0.695296 Br\n0.440397 0.082160 0.195296 Br\n0.940397 0.417840 0.195296 Br\n0.059603 0.582160 0.695296 Br\n0.561700 0.183489 0.508700 Br\n0.438300 0.816511 0.008700 Br\n0.938300 0.683489 0.008700 Br\n0.061700 0.316511 0.508700 Br\n0.565258 0.141722 0.000285 Br\n0.434742 0.858278 0.500285 Br\n0.934742 0.641722 0.500285 Br\n0.065258 0.358278 0.000285 Br\n0.660692 0.920813 0.225579 Br\n0.339308 0.079187 0.725579 Br\n0.839308 0.420813 0.725579 Br\n0.160692 0.579187 0.225579 Br\n0.775023 0.081078 0.306715 Br\n0.224977 0.918922 0.806715 Br\n0.724977 0.581078 0.806715 Br\n0.275023 0.418922 0.306715 Br\n0.775072 0.868872 0.979391 Br\n0.224928 0.131128 0.479391 Br\n0.724928 0.368872 0.479391 Br\n0.275072 0.631128 0.979391 Br\n0.765461 0.808714 0.468424 Br\n0.234539 0.191286 0.968424 Br\n0.734539 0.308714 0.968424 Br\n0.265461 0.691286 0.468424 Br\n0.493440 0.575351 0.297128 Br\n0.506560 0.424649 0.797128 Br\n0.006560 0.075351 0.797128 Br\n0.993440 0.924649 0.297128 Br\n0.607935 0.419521 0.195683 Br\n0.392065 0.580479 0.695683 Br\n0.892065 0.919521 0.695683 Br\n0.107935 0.080479 0.195683 Br\n0.594360 0.688467 0.024833 Br\n0.405640 0.311533 0.524833 Br\n0.905640 0.188467 0.524833 Br\n0.094360 0.811533 0.024833 Br\n0.610206 0.634699 0.515228 Br\n0.389794 0.365301 0.015228 Br\n0.889794 0.134699 0.015228 Br\n0.110206 0.865301 0.515228 Br\n",
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"structure_string": "Li12 Fe12 P12 O48\n1.0\n7.400184 0.000000 0.000000\n0.000000 8.485697 0.000000\n0.000000 0.248213 14.843086\nLi Fe P O\n12 12 12 48\ndirect\n0.331306 0.066707 0.592497 Li\n0.177866 0.078626 0.241418 Li\n0.325528 0.096362 0.919748 Li\n0.825528 0.403638 0.580252 Li\n0.677866 0.421374 0.258582 Li\n0.831306 0.433293 0.907503 Li\n0.168694 0.566707 0.092497 Li\n0.322134 0.578626 0.741418 Li\n0.174472 0.596362 0.419748 Li\n0.674472 0.903638 0.080252 Li\n0.822134 0.921374 0.758582 Li\n0.668694 0.933293 0.407503 Li\n0.038585 0.236974 0.076319 Fe\n0.955980 0.241175 0.413426 Fe\n0.045517 0.248419 0.755445 Fe\n0.545517 0.251581 0.744555 Fe\n0.455980 0.258825 0.086574 Fe\n0.538585 0.263026 0.423681 Fe\n0.461415 0.736974 0.576319 Fe\n0.544020 0.741175 0.913426 Fe\n0.454483 0.748419 0.255445 Fe\n0.954483 0.751581 0.244555 Fe\n0.044020 0.758825 0.586574 Fe\n0.961415 0.763026 0.923681 Fe\n0.741282 0.052467 0.589079 P\n0.761222 0.081726 0.229256 P\n0.735530 0.109452 0.924498 P\n0.235530 0.390548 0.575502 P\n0.261222 0.418274 0.270744 P\n0.241282 0.447533 0.910921 P\n0.758718 0.552467 0.089079 P\n0.738778 0.581726 0.729256 P\n0.764470 0.609452 0.424498 P\n0.264470 0.890548 0.075502 P\n0.238778 0.918274 0.770744 P\n0.258718 0.947533 0.410921 P\n0.435668 0.043182 0.397571 O\n0.100910 0.042453 0.369449 O\n0.233695 0.065435 0.043678 O\n0.944841 0.078892 0.178911 O\n0.610783 0.096885 0.157705 O\n0.262348 0.083224 0.721191 O\n0.768394 0.093198 0.486795 O\n0.724557 0.110598 0.818646 O\n0.556435 0.172670 0.961833 O\n0.757152 0.213374 0.300829 O\n0.724665 0.211490 0.639616 O\n0.892254 0.216687 0.953963 O\n0.392254 0.283313 0.546037 O\n0.224665 0.288510 0.860384 O\n0.257152 0.286626 0.199171 O\n0.056435 0.327330 0.538167 O\n0.224557 0.389402 0.681354 O\n0.268394 0.406802 0.013205 O\n0.110783 0.403115 0.342295 O\n0.762348 0.416776 0.778809 O\n0.444841 0.421108 0.321089 O\n0.733695 0.434565 0.456322 O\n0.600910 0.457547 0.130551 O\n0.935668 0.456818 0.102429 O\n0.064332 0.543182 0.897571 O\n0.399090 0.542453 0.869449 O\n0.266305 0.565435 0.543678 O\n0.555159 0.578892 0.678911 O\n0.237652 0.583224 0.221191 O\n0.889217 0.596885 0.657705 O\n0.731606 0.593198 0.986795 O\n0.775443 0.610598 0.318646 O\n0.943565 0.672670 0.461833 O\n0.742848 0.713374 0.800829 O\n0.775335 0.711490 0.139616 O\n0.607746 0.716687 0.453963 O\n0.107746 0.783313 0.046037 O\n0.275335 0.788510 0.360384 O\n0.242848 0.786626 0.699171 O\n0.443565 0.827330 0.038167 O\n0.275443 0.889402 0.181354 O\n0.231606 0.906802 0.513205 O\n0.737652 0.916776 0.278809 O\n0.389217 0.903115 0.842295 O\n0.055159 0.921108 0.821089 O\n0.766305 0.934565 0.956322 O\n0.899090 0.957547 0.630551 O\n0.564332 0.956818 0.602429 O\n",
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{
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}
]
}