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{
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"results": [
{
"id": "mp-1233845",
"created_at": "2022-09-04T14:46:00.801925Z",
"structure_string": "Mg1 V3 Co1 Sn2 P6 O24\n1.0\n9.749293 0.755919 0.514716\n4.190176 -7.259177 0.014573\n4.207029 -2.407889 -6.825312\nMg V Co Sn P O\n1 3 1 2 6 24\ndirect\n0.329114 0.550424 0.550153 Mg\n0.016640 0.663763 0.659360 V\n0.447459 0.851977 0.853433 V\n0.996665 0.340111 0.328475 V\n0.507654 0.170875 0.165907 Co\n0.892102 0.034102 0.035963 Sn\n0.640152 0.452078 0.455241 Sn\n0.249704 0.242919 0.545503 P\n0.253197 0.962420 0.248380 P\n0.256041 0.538514 0.956341 P\n0.744241 0.472018 0.030956 P\n0.743858 0.031928 0.752219 P\n0.742463 0.755366 0.473775 P\n0.109091 0.138426 0.222576 O\n0.103640 0.528601 0.131141 O\n0.108525 0.232952 0.516243 O\n0.305991 0.051257 0.703011 O\n0.387537 0.290374 0.364836 O\n0.185401 0.409569 0.618643 O\n0.327893 0.929092 0.054658 O\n0.193404 0.782368 0.406941 O\n0.595757 0.639388 0.020473 O\n0.198577 0.612126 0.777249 O\n0.707045 0.281094 0.099379 O\n0.596173 0.018445 0.744812 O\n0.382552 0.970054 0.296374 O\n0.321616 0.686548 0.936548 O\n0.803753 0.450053 0.194511 O\n0.383640 0.348919 0.969483 O\n0.803722 0.194519 0.551087 O\n0.705734 0.098239 0.913783 O\n0.797907 0.552934 0.457464 O\n0.593655 0.754313 0.645209 O\n0.703345 0.912977 0.284262 O\n0.885067 0.777460 0.483315 O\n0.884869 0.487072 0.852209 O\n0.888674 0.857042 0.770400 O\n",
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"elements": [
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"formula_full": "Mg1 V3 Co1 Sn2 P6 O24",
"formula_reduced": "MgV3CoSn2(PO4)6",
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"updated_at": "2021-11-28T01:37:20.359000Z",
"spacegroup": 1
},
{
"id": "mp-709031",
"created_at": "2022-09-04T14:45:54.914041Z",
"structure_string": "Al8 P8 H22 C6 N2 O36\n1.0\n-9.708206 0.000000 0.000000\n-0.166545 -9.851015 0.000000\n3.010659 2.720496 9.954380\nAl P H C N O\n8 8 22 6 2 36\ndirect\n0.788653 0.233686 0.161497 Al\n0.211347 0.766314 0.838503 Al\n0.224412 0.490159 0.079353 Al\n0.775588 0.509841 0.920647 Al\n0.952165 0.177251 0.659485 Al\n0.047835 0.822749 0.340515 Al\n0.499650 0.978048 0.130789 Al\n0.500350 0.021952 0.869211 Al\n0.032333 0.494460 0.794137 P\n0.967667 0.505540 0.205863 P\n0.471217 0.274948 0.092982 P\n0.528783 0.725052 0.907018 P\n0.799788 0.035737 0.349339 P\n0.200212 0.964263 0.650661 P\n0.230737 0.814951 0.138540 P\n0.769263 0.185049 0.861460 P\n0.708765 0.980308 0.037154 H\n0.291235 0.019692 0.962846 H\n0.550443 0.729591 0.244457 H\n0.449557 0.270409 0.755543 H\n0.722514 0.704940 0.304471 H\n0.277486 0.295060 0.695529 H\n0.605319 0.566528 0.224250 H\n0.394681 0.433472 0.775750 H\n0.500170 0.582454 0.387854 H\n0.499830 0.417546 0.612146 H\n0.758517 0.500960 0.441325 H\n0.241483 0.499040 0.558675 H\n0.817910 0.675280 0.541914 H\n0.182090 0.324720 0.458086 H\n0.702206 0.571907 0.587165 H\n0.297794 0.428093 0.412835 H\n0.475092 0.848514 0.429531 H\n0.524908 0.151486 0.570469 H\n0.512269 0.788431 0.576270 H\n0.487731 0.211569 0.423730 H\n0.651433 0.874183 0.543496 H\n0.348567 0.125817 0.456504 H\n0.594305 0.657190 0.421503 C\n0.405695 0.342810 0.578497 C\n0.725673 0.597598 0.501535 C\n0.274327 0.402402 0.498465 C\n0.556628 0.800353 0.496114 C\n0.443372 0.199647 0.503886 C\n0.619768 0.665320 0.290310 N\n0.380232 0.334680 0.709690 N\n0.433236 0.166644 0.162522 O\n0.566764 0.833356 0.837478 O\n0.384560 0.406825 0.119361 O\n0.615440 0.593175 0.880639 O\n0.156198 0.804390 0.988957 O\n0.843802 0.195610 0.011043 O\n0.905098 0.547583 0.848900 O\n0.094902 0.452417 0.151100 O\n0.087731 0.609320 0.745907 O\n0.912269 0.390680 0.254093 O\n0.630661 0.332248 0.161661 O\n0.369339 0.667752 0.838339 O\n0.638890 0.998708 0.292476 O\n0.361110 0.001292 0.707524 O\n0.832437 0.103902 0.501781 O\n0.167563 0.896098 0.498219 O\n0.636285 0.050935 0.053209 O\n0.363715 0.949065 0.946791 O\n0.442819 0.208021 0.940440 O\n0.557181 0.791979 0.059560 O\n0.853713 0.137364 0.283080 O\n0.146287 0.862636 0.716920 O\n0.283144 0.667917 0.152780 O\n0.716856 0.332083 0.847220 O\n0.119302 0.857066 0.217963 O\n0.880698 0.142934 0.782037 O\n0.981974 0.358817 0.677776 O\n0.018026 0.641183 0.322224 O\n0.153934 0.452057 0.904316 O\n0.846066 0.547943 0.095684 O\n0.360952 0.919570 0.196745 O\n0.639048 0.080430 0.803255 O\n0.880055 0.896926 0.328297 O\n0.119945 0.103074 0.671703 O\n0.176182 0.144285 0.017280 O\n0.823818 0.855715 0.982720 O\n",
"nsites": 82,
"nelements": 6,
"elements": [
"Al",
"P",
"H",
"C",
"N",
"O"
],
"chemical_system": "Al-C-H-N-O-P",
"density": 2.0266259984295596,
"density_atomic": 0.08613500303369385,
"volume": 951.993929435675,
"volume_molar": 6.991513958203833,
"formula_full": "Al8 P8 H22 C6 N2 O36",
"formula_reduced": "Al4P4H11C3NO18",
"formula_anonymous": "AB3C4D4E11F18",
"energy": -557.2325309199999,
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"updated_at": "2021-11-28T01:37:12.974000Z",
"spacegroup": 2
},
{
"id": "mp-1204843",
"created_at": "2022-09-04T14:46:04.316315Z",
"structure_string": "Rb4 C8 S8 N4 O20 F24\n1.0\n-8.359162 8.359162 3.877797\n8.359162 -8.359162 3.877797\n8.359162 8.359162 -3.877797\nRb C S N O F\n4 8 8 4 20 24\ndirect\n0.517626 0.916464 0.942630 Rb\n0.973833 0.574996 0.057370 Rb\n0.425004 0.482374 0.398837 Rb\n0.083536 0.026167 0.601163 Rb\n0.611278 0.960386 0.570049 C\n0.390338 0.041230 0.429951 C\n0.958770 0.388722 0.349108 C\n0.039614 0.609662 0.650892 C\n0.124337 0.290426 0.935745 C\n0.354681 0.188592 0.064255 C\n0.811408 0.875663 0.166089 C\n0.709574 0.645319 0.833911 C\n0.730353 0.958882 0.672759 S\n0.286122 0.057593 0.327241 S\n0.942407 0.269647 0.228529 S\n0.041118 0.713878 0.771471 S\n0.045215 0.328239 0.830209 S\n0.498030 0.215006 0.169791 S\n0.784994 0.954785 0.283024 S\n0.671761 0.501970 0.716976 S\n0.947719 0.175000 0.715263 N\n0.459737 0.232456 0.284737 N\n0.767544 0.052281 0.227281 N\n0.825000 0.540263 0.772719 N\n0.630416 0.885515 0.757143 O\n0.128372 0.873273 0.242857 O\n0.126727 0.369584 0.255099 O\n0.114485 0.871628 0.744902 O\n0.720207 0.849424 0.602179 O\n0.247245 0.118028 0.397821 O\n0.881972 0.279793 0.129217 O\n0.150576 0.752755 0.870783 O\n0.919792 0.297053 0.873906 O\n0.423147 0.045886 0.126094 O\n0.954114 0.080208 0.377261 O\n0.702947 0.576853 0.622739 O\n0.220916 0.514535 0.822493 O\n0.692041 0.398423 0.177507 O\n0.601577 0.779084 0.293619 O\n0.485465 0.307959 0.706381 O\n0.609890 0.210230 0.858102 O\n0.352129 0.751788 0.141898 O\n0.248212 0.390110 0.600340 O\n0.789770 0.647871 0.399660 O\n0.436617 0.778674 0.510057 F\n0.268618 0.926561 0.489943 F\n0.073439 0.563383 0.342057 F\n0.221326 0.731382 0.657943 F\n0.712362 0.056683 0.498256 F\n0.558427 0.214106 0.501744 F\n0.785894 0.287638 0.344321 F\n0.943317 0.441573 0.655679 F\n0.593083 0.041488 0.626261 F\n0.415228 0.966822 0.373739 F\n0.033178 0.406917 0.448406 F\n0.958512 0.584772 0.551594 F\n0.206618 0.272810 0.891958 F\n0.380852 0.314660 0.108042 F\n0.685340 0.793382 0.066192 F\n0.727190 0.619148 0.933808 F\n0.974297 0.131072 0.963420 F\n0.167653 0.010877 0.036580 F\n0.989123 0.025703 0.156776 F\n0.868928 0.832347 0.843224 F\n0.252064 0.440422 0.030202 F\n0.410220 0.221863 0.969798 F\n0.778137 0.747936 0.188358 F\n0.559578 0.589780 0.811642 F\n",
"nsites": 68,
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"elements": [
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"S",
"N",
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],
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"density": 2.3386329670487007,
"density_atomic": 0.06273911196676647,
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"volume_molar": 9.598702581557081,
"formula_full": "Rb4 C8 S8 N4 O20 F24",
"formula_reduced": "RbC2S2NO5F6",
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"energy": -387.17704569,
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"updated_at": "2021-11-28T01:37:19.828000Z",
"spacegroup": 82
},
{
"id": "mp-1182518",
"created_at": "2022-09-04T14:45:56.772324Z",
"structure_string": "K2 Ca8 Si16 H32 O56 F2\n1.0\n10.432905 0.000000 0.000000\n0.000000 10.432905 0.000000\n0.000000 0.000000 12.783154\nK Ca Si H O F\n2 8 16 32 56 2\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.685682 0.736656 0.000000 Ca\n0.236656 0.185682 0.500000 Ca\n0.263344 0.685682 0.000000 Ca\n0.185682 0.763344 0.500000 Ca\n0.763344 0.814318 0.500000 Ca\n0.314318 0.263344 0.000000 Ca\n0.814318 0.236656 0.500000 Ca\n0.736656 0.314318 0.000000 Ca\n0.550703 0.702031 0.241639 Si\n0.797969 0.949297 0.258361 Si\n0.702031 0.449297 0.241639 Si\n0.050703 0.797969 0.741639 Si\n0.797969 0.949297 0.741639 Si\n0.702031 0.449297 0.758361 Si\n0.949297 0.202031 0.258361 Si\n0.550703 0.702031 0.758361 Si\n0.202031 0.050703 0.741639 Si\n0.949297 0.202031 0.741639 Si\n0.202031 0.050703 0.258361 Si\n0.449297 0.297969 0.758361 Si\n0.050703 0.797969 0.258361 Si\n0.297969 0.550703 0.758361 Si\n0.297969 0.550703 0.241639 Si\n0.449297 0.297969 0.241639 Si\n0.856588 0.495002 0.620050 H\n0.495002 0.143412 0.379950 H\n0.405764 0.699722 0.470303 H\n0.356588 0.004998 0.879950 H\n0.800278 0.094236 0.029697 H\n0.905764 0.800278 0.029697 H\n0.495002 0.143412 0.620050 H\n0.594236 0.300278 0.470303 H\n0.504998 0.856588 0.620050 H\n0.800278 0.094236 0.970303 H\n0.143412 0.504998 0.379950 H\n0.199722 0.905764 0.970303 H\n0.004998 0.643412 0.120050 H\n0.699722 0.594236 0.529697 H\n0.094236 0.199722 0.970303 H\n0.356588 0.004998 0.120050 H\n0.905764 0.800278 0.970303 H\n0.300278 0.405764 0.470303 H\n0.995002 0.356588 0.879950 H\n0.643412 0.995002 0.879950 H\n0.856588 0.495002 0.379950 H\n0.504998 0.856588 0.379950 H\n0.699722 0.594236 0.470303 H\n0.143412 0.504998 0.620050 H\n0.300278 0.405764 0.529697 H\n0.995002 0.356588 0.120050 H\n0.643412 0.995002 0.120050 H\n0.004998 0.643412 0.879950 H\n0.594236 0.300278 0.529697 H\n0.405764 0.699722 0.529697 H\n0.199722 0.905764 0.029697 H\n0.094236 0.199722 0.029697 H\n0.033056 0.784539 0.384013 O\n0.660050 0.597259 0.720678 O\n0.839950 0.097259 0.779322 O\n0.709095 0.928824 0.127630 O\n0.215461 0.033056 0.384013 O\n0.466944 0.284539 0.115987 O\n0.209095 0.571176 0.627630 O\n0.284539 0.533056 0.884013 O\n0.660050 0.597259 0.279322 O\n0.928824 0.290905 0.127630 O\n0.966944 0.215461 0.615987 O\n0.362741 0.137259 0.750000 O\n0.715461 0.466944 0.884013 O\n0.071176 0.709095 0.872370 O\n0.966944 0.215461 0.384013 O\n0.137259 0.637259 0.750000 O\n0.533056 0.715461 0.115987 O\n0.862741 0.362741 0.250000 O\n0.362741 0.137259 0.250000 O\n0.862741 0.362741 0.750000 O\n0.215461 0.033056 0.615987 O\n0.402741 0.660050 0.720678 O\n0.160050 0.902741 0.779322 O\n0.339950 0.402741 0.720678 O\n0.839950 0.097259 0.220678 O\n0.160050 0.902741 0.220678 O\n0.928824 0.290905 0.872370 O\n0.033056 0.784539 0.615987 O\n0.709095 0.928824 0.872370 O\n0.071176 0.709095 0.127630 O\n0.290905 0.071176 0.872370 O\n0.637259 0.862741 0.250000 O\n0.137259 0.637259 0.250000 O\n0.402741 0.660050 0.279322 O\n0.784539 0.966944 0.384013 O\n0.637259 0.862741 0.750000 O\n0.790905 0.428824 0.627630 O\n0.290905 0.071176 0.127630 O\n0.533056 0.715461 0.884013 O\n0.209095 0.571176 0.372370 O\n0.902741 0.839950 0.220678 O\n0.902741 0.839950 0.779322 O\n0.428824 0.209095 0.372370 O\n0.571176 0.790905 0.627630 O\n0.597259 0.339950 0.279322 O\n0.715461 0.466944 0.115987 O\n0.097259 0.160050 0.220678 O\n0.339950 0.402741 0.279322 O\n0.097259 0.160050 0.779322 O\n0.284539 0.533056 0.115987 O\n0.428824 0.209095 0.627630 O\n0.597259 0.339950 0.720678 O\n0.784539 0.966944 0.615987 O\n0.466944 0.284539 0.884013 O\n0.571176 0.790905 0.372370 O\n0.790905 0.428824 0.372370 O\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 116,
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"elements": [
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"Si",
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],
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"volume": 1391.3888748529944,
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"formula_full": "K2 Ca8 Si16 H32 O56 F2",
"formula_reduced": "KCa4Si8H16O28F",
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"energy": -711.91829418,
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"spacegroup": 128
},
{
"id": "mp-1233039",
"created_at": "2022-09-04T14:45:59.084694Z",
"structure_string": "K2 Ba1 Mg1 Co1 N6 O12\n1.0\n6.867137 0.710541 -4.491733\n-1.568674 6.723221 -4.491733\n-0.449974 -0.631315 8.342144\nK Ba Mg Co N O\n2 1 1 1 6 12\ndirect\n0.295818 0.795818 0.500000 K\n0.795819 0.295819 0.500000 K\n0.602021 0.602021 0.000000 Ba\n0.350270 0.350270 0.000000 Mg\n0.993764 0.993764 0.000000 Co\n0.196558 0.785612 0.000000 N\n0.785613 0.196559 0.000001 N\n0.195053 0.195054 0.441423 N\n0.753631 0.753631 0.558577 N\n0.157611 0.157612 0.999999 N\n0.841558 0.841558 0.000000 N\n0.614524 0.157244 0.802043 O\n0.812481 0.355202 0.197958 O\n0.157244 0.614524 0.802043 O\n0.355201 0.812481 0.197957 O\n0.325886 0.111794 0.000001 O\n0.596013 0.596014 0.396520 O\n0.891940 0.678206 0.000000 O\n0.678207 0.891940 0.000000 O\n0.801159 0.801159 0.473531 O\n0.327627 0.327627 0.526469 O\n0.199493 0.199494 0.603480 O\n0.111793 0.325885 0.000000 O\n",
"nsites": 23,
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],
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"formula_full": "K2 Ba1 Mg1 Co1 N6 O12",
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"spacegroup": 42
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},
{
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0.306792 H\n0.231876 0.499867 0.193208 H\n0.057272 0.992168 0.830914 H\n0.661255 0.226359 0.669086 H\n0.942728 0.007832 0.169086 H\n0.338745 0.773641 0.330914 H\n0.073916 0.873666 0.778385 H\n0.595282 0.295531 0.721615 H\n0.926084 0.126334 0.221615 H\n0.404718 0.704469 0.278385 H\n0.221975 0.024370 0.828645 H\n0.695725 0.393330 0.671355 H\n0.778025 0.975630 0.171355 H\n0.304275 0.606670 0.328645 H\n0.208940 0.280405 0.715647 H\n0.064758 0.493293 0.784353 H\n0.791060 0.719595 0.284353 H\n0.935242 0.506707 0.215647 H\n0.147942 0.252451 0.618590 H\n0.133861 0.529352 0.881410 H\n0.852058 0.747549 0.381410 H\n0.866139 0.470648 0.118590 H\n0.109477 0.351316 0.670598 H\n0.180717 0.438879 0.829402 H\n0.890523 0.648684 0.329402 H\n0.819283 0.561121 0.170598 H\n0.783669 0.055436 0.617135 H\n0.938301 0.166535 0.882865 H\n0.216331 0.944564 0.382865 H\n0.061699 0.833465 0.117135 H\n0.864164 0.232021 0.637425 H\n0.094596 0.226738 0.862575 H\n0.135836 0.767979 0.362575 H\n0.905404 0.773262 0.137425 H\n0.881351 0.150930 0.564693 H\n0.086237 0.316658 0.935307 H\n0.118649 0.849070 0.435307 H\n0.913763 0.683342 0.064693 H\n0.637481 0.683096 0.693895 C\n0.489201 0.943587 0.806105 C\n0.362519 0.316904 0.306105 C\n0.510799 0.056413 0.193895 C\n0.387846 0.571351 0.652912 C\n0.418440 0.734934 0.847088 C\n0.612154 0.428649 0.347088 C\n0.581560 0.265066 0.152912 C\n0.319437 0.688874 0.530716 C\n0.658158 0.788721 0.969284 C\n0.680563 0.311126 0.469284 C\n0.341842 0.211279 0.030716 C\n0.394670 0.913828 0.585791 C\n0.828037 0.808879 0.914209 C\n0.605330 0.086172 0.414209 C\n0.171963 0.191121 0.085791 C\n0.187484 0.052850 0.695011 C\n0.857839 0.492473 0.804989 C\n0.812516 0.947150 0.304989 C\n0.142161 0.507527 0.195011 C\n0.112566 0.979229 0.797147 C\n0.682082 0.315419 0.702853 C\n0.887434 0.020771 0.202853 C\n0.317918 0.684581 0.297147 C\n0.123303 0.264101 0.668033 C\n0.096069 0.455270 0.831967 C\n0.876697 0.735899 0.331967 C\n0.903931 0.544730 0.168033 C\n0.873701 0.146853 0.619386 C\n0.027467 0.254315 0.880614 C\n0.126299 0.853147 0.380614 C\n0.972533 0.745685 0.119386 C\n0.519260 0.805440 0.644798 C\n0.660642 0.874463 0.855202 C\n0.480740 0.194560 0.355202 C\n0.339358 0.125537 0.144798 C\n0.990460 0.066464 0.713130 C\n0.853333 0.277330 0.786870 C\n0.009540 0.933536 0.286870 C\n0.146667 0.722670 0.213130 C\n0.656445 0.782080 0.474525 I\n0.807556 0.181921 0.025475 I\n0.343555 0.217920 0.525475 I\n0.192444 0.818079 0.974525 I\n0.855344 0.710359 0.559093 I\n0.651265 0.296251 0.940907 I\n0.144656 0.289641 0.440907 I\n0.348735 0.703749 0.059093 I\n0.050399 0.629883 0.645791 I\n0.484093 0.404608 0.854209 I\n0.949601 0.370117 0.354209 I\n0.515907 0.595392 0.145791 I\n0.514289 0.691509 0.661276 N\n0.530234 0.853014 0.838724 N\n0.485711 0.308491 0.338724 N\n0.469766 0.146986 0.161276 N\n0.410749 0.798116 0.592572 N\n0.705544 0.818177 0.907428 N\n0.589251 0.201884 0.407428 N\n0.294456 0.181823 0.092572 N\n0.097333 0.043126 0.735939 N\n0.807187 0.361394 0.764061 N\n0.902667 0.956874 0.264061 N\n0.192813 0.638606 0.235939 N\n0.996356 0.151904 0.667616 N\n0.984287 0.328740 0.832384 N\n0.003644 0.848096 0.332384 N\n0.015713 0.671260 0.167616 N\n0.621907 0.919369 0.677086 O\n0.742283 0.944821 0.822914 O\n0.378093 0.080631 0.322914 O\n0.257717 0.055179 0.177086 O\n0.888578 0.007002 0.735486 O\n0.771516 0.153092 0.764514 O\n0.111422 0.992998 0.264514 O\n0.228484 0.846908 0.235486 O\n",
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},
{
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"structure_string": "Na4 Li2 Mn2 P2 C2 O14\n1.0\n0.062763 0.006542 5.176848\n8.898837 -0.187179 0.134908\n-0.142835 6.802836 0.008576\nNa Li Mn P C O\n4 2 2 2 2 14\ndirect\n0.756202 0.086972 0.270536 Na\n0.254578 0.244810 0.984503 Na\n0.746415 0.746391 0.510751 Na\n0.749855 0.747745 0.000640 Na\n0.227467 0.290574 0.451552 Li\n0.235165 0.895260 0.736351 Li\n0.226221 0.644285 0.254455 Mn\n0.785570 0.361134 0.741342 Mn\n0.722251 0.414114 0.248207 P\n0.294745 0.586710 0.748268 P\n0.716351 0.045468 0.752098 C\n0.267506 0.949240 0.264952 C\n0.288758 0.094315 0.266677 O\n0.965319 0.060155 0.758752 O\n0.562614 0.162456 0.732618 O\n0.798629 0.321497 0.057653 O\n0.835891 0.325945 0.423011 O\n0.419592 0.425602 0.266706 O\n0.184610 0.425545 0.728529 O\n0.826114 0.575796 0.249138 O\n0.595544 0.571409 0.746582 O\n0.207142 0.687640 0.576428 O\n0.204028 0.674321 0.939428 O\n0.473127 0.860620 0.262368 O\n0.042279 0.887691 0.264957 O\n0.614025 0.914310 0.763497 O\n",
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]
}