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{
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"results": [
{
"id": "mp-1224355",
"created_at": "2022-09-04T14:43:03.671652Z",
"structure_string": "Mo30 Pb6 Se38\n1.0\n19.724186 0.000000 0.000000\n0.000000 9.916300 0.000000\n0.000000 4.790593 8.687944\nMo Pb Se\n30 6 38\ndirect\n0.750000 0.484052 0.346938 Mo\n0.750000 0.338873 0.169795 Mo\n0.750000 0.170494 0.481281 Mo\n0.250000 0.515948 0.653062 Mo\n0.250000 0.661127 0.830205 Mo\n0.250000 0.829506 0.518719 Mo\n0.635194 0.494227 0.187712 Mo\n0.635168 0.189983 0.311452 Mo\n0.635331 0.321272 0.491295 Mo\n0.135194 0.505773 0.812288 Mo\n0.135168 0.810017 0.688548 Mo\n0.135331 0.678728 0.508705 Mo\n0.364806 0.505773 0.812288 Mo\n0.364832 0.810017 0.688548 Mo\n0.364669 0.678728 0.508705 Mo\n0.864806 0.494227 0.187712 Mo\n0.864832 0.189983 0.311452 Mo\n0.864669 0.321272 0.491295 Mo\n0.557212 0.834450 0.151389 Mo\n0.555488 0.152401 0.016789 Mo\n0.557142 0.013041 0.845329 Mo\n0.057212 0.165550 0.848611 Mo\n0.055488 0.847599 0.983211 Mo\n0.057142 0.986959 0.154671 Mo\n0.442788 0.165550 0.848611 Mo\n0.444512 0.847599 0.983211 Mo\n0.442858 0.986959 0.154671 Mo\n0.942788 0.834450 0.151389 Mo\n0.944512 0.152401 0.016789 Mo\n0.942858 0.013041 0.845329 Mo\n0.610538 0.654972 0.666149 Pb\n0.110538 0.345028 0.333851 Pb\n0.389462 0.345028 0.333851 Pb\n0.889462 0.654972 0.666149 Pb\n0.750000 0.956347 0.826111 Pb\n0.250000 0.043653 0.173889 Pb\n0.750000 0.631583 0.050007 Se\n0.750000 0.040998 0.310358 Se\n0.750000 0.318267 0.643143 Se\n0.250000 0.368417 0.949993 Se\n0.250000 0.959002 0.689642 Se\n0.250000 0.681733 0.356857 Se\n0.659158 0.000745 0.028190 Se\n0.159158 0.999255 0.971810 Se\n0.340842 0.999255 0.971810 Se\n0.840842 0.000745 0.028190 Se\n0.554662 0.712235 0.968761 Se\n0.550350 0.968697 0.317040 Se\n0.551490 0.318281 0.717836 Se\n0.054662 0.287765 0.031239 Se\n0.050350 0.031303 0.682960 Se\n0.051490 0.681719 0.282164 Se\n0.445338 0.287765 0.031239 Se\n0.449650 0.031303 0.682960 Se\n0.448510 0.681719 0.282164 Se\n0.945338 0.712235 0.968761 Se\n0.949650 0.968697 0.317040 Se\n0.948510 0.318281 0.717836 Se\n0.641790 0.621586 0.373608 Se\n0.641771 0.370717 0.006431 Se\n0.633804 0.013687 0.608653 Se\n0.141790 0.378414 0.626392 Se\n0.141771 0.629283 0.993569 Se\n0.133804 0.986313 0.391347 Se\n0.358210 0.378414 0.626392 Se\n0.358229 0.629283 0.993569 Se\n0.366196 0.986313 0.391347 Se\n0.858210 0.621586 0.373608 Se\n0.858229 0.370717 0.006431 Se\n0.866196 0.013687 0.608653 Se\n0.032817 0.664662 0.668755 Se\n0.532817 0.335338 0.331245 Se\n0.967183 0.335338 0.331245 Se\n0.467183 0.664662 0.668755 Se\n",
"nsites": 74,
"nelements": 3,
"elements": [
"Mo",
"Pb",
"Se"
],
"chemical_system": "Mo-Pb-Se",
"density": 6.959499210630608,
"density_atomic": 0.043547774002380545,
"volume": 1699.283182556123,
"volume_molar": 13.828814211423985,
"formula_full": "Mo30 Pb6 Se38",
"formula_reduced": "Mo15Pb3Se19",
"formula_anonymous": "A3B15C19",
"energy": -534.3722330200001,
"energy_per_atom": -7.221246392162163,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -516.43623302,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.610000Z",
"spacegroup": 11
},
{
"id": "mp-760086",
"created_at": "2022-09-04T14:40:56.177257Z",
"structure_string": "Li17 Fe6 Si12 O42\n1.0\n8.611553 0.000000 0.000000\n-4.299984 7.485000 0.000000\n-0.033621 -0.127494 13.133406\nLi Fe Si O\n17 6 12 42\ndirect\n0.969369 0.305924 0.400627 Li\n0.971320 0.295637 0.067154 Li\n0.322985 0.027267 0.068143 Li\n0.660523 0.329479 0.712837 Li\n0.661575 0.324907 0.242615 Li\n0.003074 0.003092 0.943703 Li\n0.027197 0.997991 0.436649 Li\n0.312971 0.335121 0.900180 Li\n0.308042 0.333165 0.566718 Li\n0.691627 0.663509 0.400633 Li\n0.703161 0.675122 0.067271 Li\n0.328316 0.647792 0.729839 Li\n0.333714 0.669955 0.275228 Li\n0.666136 0.976370 0.901491 Li\n0.674209 0.978896 0.564004 Li\n0.024219 0.692317 0.565291 Li\n0.021333 0.687643 0.901469 Li\n0.001404 0.000559 0.727917 Fe\n0.999381 0.999840 0.224035 Fe\n0.658402 0.327097 0.458314 Fe\n0.665869 0.332804 0.011398 Fe\n0.333161 0.667203 0.955888 Fe\n0.331703 0.667798 0.511709 Fe\n0.351566 0.024186 0.847707 Si\n0.355203 0.028085 0.620608 Si\n0.977350 0.329467 0.623802 Si\n0.971284 0.324853 0.846606 Si\n0.324856 0.350297 0.343200 Si\n0.330348 0.364670 0.121908 Si\n0.673662 0.646711 0.846206 Si\n0.672755 0.649341 0.622370 Si\n0.021287 0.666553 0.345178 Si\n0.645158 0.971094 0.345288 Si\n0.031873 0.669358 0.123112 Si\n0.636701 0.967425 0.122907 Si\n0.862927 0.063319 0.339033 O\n0.855799 0.060290 0.128282 O\n0.589108 0.123941 0.361955 O\n0.574298 0.116254 0.106207 O\n0.813088 0.242395 0.933271 O\n0.818254 0.250168 0.537507 O\n0.435430 0.121593 0.736817 O\n0.868276 0.304424 0.734596 O\n0.428295 0.186023 0.933764 O\n0.449087 0.207717 0.551129 O\n0.870888 0.456575 0.357248 O\n0.883373 0.458650 0.105310 O\n0.199339 0.146193 0.122259 O\n0.196712 0.136174 0.328667 O\n0.535090 0.414994 0.360599 O\n0.541529 0.425540 0.106318 O\n0.068962 0.202266 0.842515 O\n0.075006 0.209962 0.631704 O\n0.754669 0.568202 0.933082 O\n0.753965 0.571187 0.536686 O\n0.694444 0.564521 0.733911 O\n0.309383 0.444778 0.234179 O\n0.242143 0.426192 0.429927 O\n0.242743 0.434859 0.034225 O\n0.940372 0.796340 0.128846 O\n0.931232 0.793082 0.338650 O\n0.460894 0.578191 0.858572 O\n0.460960 0.582980 0.606173 O\n0.798073 0.865599 0.844123 O\n0.791400 0.865560 0.632519 O\n0.115818 0.536880 0.860342 O\n0.122408 0.540535 0.610889 O\n0.563307 0.807151 0.426726 O\n0.567235 0.808343 0.035661 O\n0.557341 0.867950 0.233805 O\n0.130556 0.687449 0.235681 O\n0.174730 0.730505 0.433245 O\n0.188439 0.757126 0.036514 O\n0.420454 0.880791 0.863675 O\n0.424169 0.886089 0.600528 O\n0.138019 0.931888 0.625886 O\n0.132128 0.928949 0.841728 O\n",
"nsites": 77,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.8679128931977287,
"density_atomic": 0.09095782599748464,
"volume": 846.5461784687924,
"volume_molar": 6.620805515037856,
"formula_full": "Li17 Fe6 Si12 O42",
"formula_reduced": "Li17Fe6(Si2O7)6",
"formula_anonymous": "A6B12C17D42",
"energy": -558.8622536199999,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:57.529000Z",
"spacegroup": 1
},
{
"id": "mp-744816",
"created_at": "2022-09-04T14:48:17.144422Z",
"structure_string": "Rb2 Mg2 V10 H32 O44\n1.0\n-10.523995 0.000000 0.000000\n-0.941991 -10.841789 0.000000\n3.141725 4.607440 10.076360\nRb Mg V H O\n2 2 10 32 44\ndirect\n0.716201 0.328884 0.612530 Rb\n0.283799 0.671116 0.387470 Rb\n0.380165 0.254078 0.662656 Mg\n0.619835 0.745922 0.337344 Mg\n0.717843 0.991854 0.984487 V\n0.282157 0.008146 0.015513 V\n0.044317 0.082288 0.389320 V\n0.955683 0.917712 0.610680 V\n0.243713 0.789979 0.109454 V\n0.756287 0.210021 0.890546 V\n0.136385 0.275133 0.248039 V\n0.863615 0.724867 0.751961 V\n0.859399 0.255485 0.305078 V\n0.140601 0.744515 0.694922 V\n0.386604 0.059428 0.436020 H\n0.613396 0.940572 0.563980 H\n0.709048 0.686246 0.130291 H\n0.290952 0.313754 0.869709 H\n0.028686 0.312771 0.640064 H\n0.971314 0.687229 0.359936 H\n0.028085 0.528719 0.699061 H\n0.971915 0.471281 0.300939 H\n0.065774 0.401125 0.795841 H\n0.934226 0.598875 0.204159 H\n0.238823 0.520918 0.968080 H\n0.761177 0.479082 0.031920 H\n0.238776 0.432654 0.472542 H\n0.761224 0.567346 0.527458 H\n0.371582 0.186739 0.871274 H\n0.628418 0.813261 0.128726 H\n0.947649 0.109374 0.029213 H\n0.052351 0.890626 0.970787 H\n0.515304 0.520541 0.193792 H\n0.484696 0.479459 0.806208 H\n0.160756 0.431844 0.009159 H\n0.839244 0.568156 0.990841 H\n0.969452 0.323088 0.990167 H\n0.030548 0.676912 0.009833 H\n0.549714 0.957613 0.083034 H\n0.450286 0.042387 0.916966 H\n0.430634 0.189270 0.431060 H\n0.569366 0.810730 0.568940 H\n0.093392 0.352060 0.142966 H\n0.906608 0.647940 0.857034 H\n0.578092 0.461227 0.333517 H\n0.421908 0.538773 0.666483 H\n0.968274 0.936208 0.330367 O\n0.031726 0.063792 0.669633 O\n0.760075 0.134923 0.153426 O\n0.239925 0.865077 0.846574 O\n0.386674 0.943478 0.112236 O\n0.613326 0.056522 0.887764 O\n0.778602 0.838710 0.880359 O\n0.221398 0.161290 0.119641 O\n0.041301 0.133123 0.256917 O\n0.958699 0.866877 0.743083 O\n0.212221 0.053769 0.474391 O\n0.787779 0.946231 0.525609 O\n0.382736 0.093957 0.961689 O\n0.617264 0.906043 0.038311 O\n0.912923 0.209136 0.443728 O\n0.087077 0.790864 0.556272 O\n0.091388 0.709422 0.099439 O\n0.908612 0.290578 0.900561 O\n0.326875 0.838922 0.268924 O\n0.673125 0.161078 0.731076 O\n0.687060 0.342916 0.989425 O\n0.312940 0.657084 0.010575 O\n0.983249 0.375166 0.300440 O\n0.016751 0.624834 0.699560 O\n0.265994 0.365526 0.392975 O\n0.734006 0.634474 0.607025 O\n0.755837 0.404213 0.366433 O\n0.244163 0.595787 0.633567 O\n0.990736 0.602178 0.290443 O\n0.009264 0.397822 0.709557 O\n0.619631 0.383157 0.363056 O\n0.380369 0.616843 0.636944 O\n0.189949 0.430247 0.935046 O\n0.810051 0.569753 0.064954 O\n0.814879 0.801786 0.446290 O\n0.185121 0.198214 0.553710 O\n0.355249 0.249272 0.826194 O\n0.644751 0.750728 0.173806 O\n0.135646 0.914624 0.039621 O\n0.864354 0.085376 0.960379 O\n0.555007 0.858894 0.511154 O\n0.444993 0.141106 0.488846 O\n0.463883 0.426702 0.710244 O\n0.536117 0.573298 0.289756 O\n",
"nsites": 90,
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"elements": [
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"V",
"H",
"O"
],
"chemical_system": "H-Mg-O-Rb-V",
"density": 2.1162027497087044,
"density_atomic": 0.07828115957809909,
"volume": 1149.7019268117679,
"volume_molar": 7.692963150337427,
"formula_full": "Rb2 Mg2 V10 H32 O44",
"formula_reduced": "RbMgV5(H8O11)2",
"formula_anonymous": "ABC5D16E22",
"energy": -563.70580215,
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"updated_at": "2021-11-28T01:38:50.918000Z",
"spacegroup": 2
},
{
"id": "mp-1326042",
"created_at": "2022-09-04T14:47:21.529087Z",
"structure_string": "Ca12 Co8 Ge12 O48\n1.0\n-6.206559 6.206559 6.206559\n6.206559 -6.206559 6.206559\n6.206559 6.206559 -6.206559\nCa Co Ge O\n12 8 12 48\ndirect\n0.250000 0.875000 0.625000 Ca\n0.750000 0.625000 0.875000 Ca\n0.625000 0.875000 0.750000 Ca\n0.875000 0.625000 0.250000 Ca\n0.625000 0.250000 0.875000 Ca\n0.875000 0.750000 0.625000 Ca\n0.750000 0.125000 0.375000 Ca\n0.250000 0.375000 0.125000 Ca\n0.375000 0.125000 0.250000 Ca\n0.125000 0.375000 0.750000 Ca\n0.375000 0.750000 0.125000 Ca\n0.125000 0.250000 0.375000 Ca\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.750000 0.875000 0.125000 Ge\n0.875000 0.125000 0.750000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.875000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.625000 0.750000 0.375000 Ge\n0.375000 0.250000 0.625000 Ge\n0.415752 0.815183 0.797619 O\n0.881867 0.399432 0.084248 O\n0.100568 0.982435 0.684817 O\n0.517565 0.618133 0.702381 O\n0.684817 0.084248 0.702381 O\n0.618133 0.702381 0.517565 O\n0.618133 0.415752 0.100568 O\n0.702381 0.517565 0.618133 O\n0.815183 0.517565 0.399432 O\n0.982435 0.797619 0.881867 O\n0.797619 0.881867 0.982435 O\n0.702381 0.684817 0.084248 O\n0.415752 0.100568 0.618133 O\n0.399432 0.815183 0.517565 O\n0.084248 0.702381 0.684817 O\n0.100568 0.618133 0.415752 O\n0.517565 0.399432 0.815183 O\n0.084248 0.881867 0.399432 O\n0.982435 0.684817 0.100568 O\n0.184817 0.482435 0.600568 O\n0.684817 0.100568 0.982435 O\n0.797619 0.415752 0.815183 O\n0.399432 0.084248 0.881867 O\n0.881867 0.982435 0.797619 O\n0.584248 0.184817 0.202381 O\n0.118133 0.600568 0.915752 O\n0.899432 0.017565 0.315183 O\n0.482435 0.381867 0.297619 O\n0.315183 0.915752 0.297619 O\n0.381867 0.297619 0.482435 O\n0.381867 0.584248 0.899432 O\n0.297619 0.482435 0.381867 O\n0.118133 0.017565 0.202381 O\n0.600568 0.915752 0.118133 O\n0.202381 0.584248 0.184817 O\n0.184817 0.202381 0.584248 O\n0.315183 0.899432 0.017565 O\n0.017565 0.315183 0.899432 O\n0.915752 0.118133 0.600568 O\n0.482435 0.600568 0.184817 O\n0.899432 0.381867 0.584248 O\n0.915752 0.297619 0.315183 O\n0.600568 0.184817 0.482435 O\n0.584248 0.899432 0.381867 O\n0.297619 0.315183 0.915752 O\n0.202381 0.118133 0.017565 O\n0.017565 0.202381 0.118133 O\n0.815183 0.797619 0.415752 O\n",
"nsites": 80,
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"elements": [
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],
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"formula_full": "Ca12 Co8 Ge12 O48",
"formula_reduced": "Ca3Co2(GeO4)3",
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"energy": -562.57906245,
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},
{
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{
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"structure_string": "Fe16 Si16 N32\n1.0\n5.111820 0.000000 0.000000\n0.000000 10.193107 0.000000\n0.000000 0.000000 13.150975\nFe Si N\n16 16 32\ndirect\n0.689556 0.962727 0.434391 Fe\n0.189556 0.537273 0.565609 Fe\n0.310444 0.462727 0.065609 Fe\n0.810444 0.037273 0.934391 Fe\n0.310444 0.037273 0.565609 Fe\n0.810444 0.462727 0.434391 Fe\n0.689556 0.537273 0.934391 Fe\n0.189556 0.962727 0.065609 Fe\n0.790219 0.280097 0.312378 Fe\n0.290218 0.219903 0.687622 Fe\n0.209782 0.780097 0.187622 Fe\n0.709781 0.719903 0.812378 Fe\n0.209782 0.719903 0.687622 Fe\n0.709781 0.780097 0.312378 Fe\n0.790219 0.219903 0.812378 Fe\n0.290218 0.280097 0.187622 Fe\n0.661041 0.037808 0.186308 Si\n0.161041 0.462192 0.813692 Si\n0.338959 0.537808 0.313692 Si\n0.838959 0.962192 0.686308 Si\n0.338959 0.962192 0.813692 Si\n0.838959 0.537808 0.186308 Si\n0.661041 0.462192 0.686308 Si\n0.161041 0.037808 0.313692 Si\n0.786848 0.289109 0.061558 Si\n0.286848 0.210891 0.938442 Si\n0.213152 0.789109 0.438442 Si\n0.713152 0.710891 0.561558 Si\n0.213152 0.710891 0.938442 Si\n0.713152 0.789109 0.061558 Si\n0.786848 0.210891 0.561558 Si\n0.286848 0.289109 0.438442 Si\n0.664852 0.491513 0.294968 N\n0.164852 0.008487 0.705032 N\n0.335148 0.991513 0.205032 N\n0.835148 0.508487 0.794968 N\n0.335148 0.508487 0.705032 N\n0.835148 0.991513 0.294968 N\n0.664852 0.008487 0.794968 N\n0.164852 0.491513 0.205032 N\n0.626539 0.270621 0.453564 N\n0.126539 0.229379 0.546436 N\n0.373461 0.770621 0.046436 N\n0.873461 0.729379 0.953564 N\n0.373461 0.729379 0.546436 N\n0.873461 0.770621 0.453564 N\n0.626539 0.229379 0.953564 N\n0.126539 0.270621 0.046436 N\n0.719452 0.456897 0.078183 N\n0.219452 0.043103 0.921817 N\n0.280548 0.956897 0.421817 N\n0.780548 0.543103 0.578183 N\n0.280548 0.543103 0.921817 N\n0.780548 0.956897 0.078183 N\n0.719452 0.043103 0.578183 N\n0.219452 0.456897 0.421817 N\n0.673935 0.208641 0.170931 N\n0.173935 0.291359 0.829069 N\n0.326065 0.708641 0.329069 N\n0.826065 0.791359 0.670931 N\n0.326065 0.791359 0.829069 N\n0.826065 0.708641 0.170931 N\n0.673935 0.291359 0.670931 N\n0.173935 0.208641 0.329069 N\n",
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{
"id": "mp-851274",
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"structure_string": "Li9 Cr19 O48\n1.0\n5.054220 0.000000 0.000000\n-0.003002 10.188087 0.000000\n-0.115323 -0.118489 17.265981\nLi Cr O\n9 19 48\ndirect\n0.091340 0.749580 0.750604 Li\n0.250413 0.579183 0.025832 Li\n0.250793 0.424933 0.531189 Li\n0.250904 0.075494 0.532179 Li\n0.251305 0.747161 0.195394 Li\n0.746494 0.252295 0.804317 Li\n0.748559 0.081689 0.971579 Li\n0.761166 0.748090 0.300851 Li\n0.906199 0.251240 0.248753 Li\n0.223556 0.251381 0.056394 Cr\n0.228431 0.971013 0.345428 Cr\n0.228476 0.529267 0.345984 Cr\n0.254415 0.257677 0.697720 Cr\n0.251867 0.930316 0.023182 Cr\n0.285769 0.473184 0.844790 Cr\n0.277081 0.025368 0.844190 Cr\n0.289041 0.750598 0.557513 Cr\n0.405644 0.250575 0.247167 Cr\n0.592241 0.748721 0.752169 Cr\n0.717961 0.249662 0.441688 Cr\n0.722323 0.525539 0.156121 Cr\n0.721044 0.973166 0.153546 Cr\n0.758163 0.926770 0.478061 Cr\n0.757735 0.573243 0.478153 Cr\n0.751118 0.430314 0.973058 Cr\n0.777462 0.472517 0.656616 Cr\n0.776400 0.029022 0.657524 Cr\n0.779095 0.750209 0.943711 Cr\n0.053695 0.760237 0.005935 O\n0.054077 0.382217 0.630258 O\n0.054418 0.118351 0.633203 O\n0.109258 0.368521 0.782592 O\n0.088106 0.119540 0.789041 O\n0.089123 0.883839 0.532324 O\n0.088973 0.616497 0.532443 O\n0.092088 0.990493 0.923735 O\n0.075348 0.501407 0.921931 O\n0.170592 0.250275 0.157351 O\n0.171235 0.385265 0.298394 O\n0.170988 0.114101 0.298178 O\n0.351194 0.885246 0.796006 O\n0.349266 0.616675 0.796061 O\n0.347855 0.750461 0.654080 O\n0.421230 0.501897 0.423402 O\n0.421800 0.997731 0.423044 O\n0.402807 0.110665 0.034276 O\n0.427196 0.380538 0.034002 O\n0.397916 0.874626 0.289273 O\n0.400515 0.625717 0.291518 O\n0.443149 0.891108 0.125096 O\n0.455129 0.607384 0.131235 O\n0.456278 0.250217 0.497507 O\n0.575009 0.749989 0.491414 O\n0.560262 0.383352 0.876655 O\n0.544345 0.106038 0.869562 O\n0.566850 0.375667 0.708976 O\n0.561529 0.129562 0.707476 O\n0.572550 0.880441 0.966805 O\n0.597389 0.610582 0.965740 O\n0.595755 0.990149 0.572628 O\n0.594985 0.510865 0.572666 O\n0.639521 0.249018 0.346307 O\n0.646226 0.385050 0.205483 O\n0.646747 0.113581 0.202344 O\n0.826593 0.883883 0.705664 O\n0.831261 0.617686 0.705138 O\n0.826831 0.750470 0.844251 O\n0.905158 0.490516 0.077267 O\n0.916951 0.004508 0.077976 O\n0.901183 0.383814 0.462649 O\n0.901377 0.116184 0.462849 O\n0.893981 0.878054 0.209948 O\n0.909933 0.619900 0.211128 O\n0.945153 0.894027 0.373132 O\n0.944720 0.606028 0.374086 O\n0.948464 0.259426 0.995260 O\n",
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{
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"structure_string": "Li18 Mn18 F54\n1.0\n7.000800 0.000000 0.000000\n0.177465 8.048866 0.000000\n2.847305 2.566639 21.171625\nLi Mn F\n18 18 54\ndirect\n0.746723 0.703283 0.865694 Li\n0.897690 0.293309 0.295588 Li\n0.660097 0.398189 0.651571 Li\n0.748037 0.309247 0.446181 Li\n0.826864 0.996027 0.087496 Li\n0.536919 0.431065 0.797129 Li\n0.378669 0.281020 0.981898 Li\n0.696718 0.020550 0.232050 Li\n0.513377 0.865506 0.421388 Li\n0.486623 0.134494 0.578612 Li\n0.303282 0.979450 0.767950 Li\n0.621331 0.718980 0.018102 Li\n0.463081 0.568935 0.202871 Li\n0.173136 0.003973 0.912504 Li\n0.251963 0.690753 0.553819 Li\n0.339903 0.601811 0.348429 Li\n0.102310 0.706691 0.704412 Li\n0.253277 0.296717 0.134306 Li\n0.892401 0.352036 0.966946 Mn\n0.940207 0.009803 0.583136 Mn\n0.801506 0.047248 0.740537 Mn\n0.990741 0.669705 0.187653 Mn\n0.764238 0.692614 0.508380 Mn\n0.603044 0.038391 0.902810 Mn\n0.849898 0.676482 0.347562 Mn\n0.570090 0.756892 0.663930 Mn\n0.755347 0.359614 0.135181 Mn\n0.244653 0.640386 0.864819 Mn\n0.429910 0.243108 0.336070 Mn\n0.150102 0.323518 0.652438 Mn\n0.396956 0.961609 0.097190 Mn\n0.235762 0.307386 0.491620 Mn\n0.009259 0.330295 0.812347 Mn\n0.198494 0.952752 0.259463 Mn\n0.059793 0.990197 0.416864 Mn\n0.107599 0.647964 0.033054 Mn\n0.978013 0.168976 0.900382 F\n0.941466 0.529012 0.872632 F\n0.903994 0.863816 0.673371 F\n0.810114 0.925334 0.826311 F\n0.963503 0.171165 0.484141 F\n0.861109 0.215912 0.644894 F\n0.630055 0.788498 0.935033 F\n0.965619 0.521886 0.282005 F\n0.728999 0.253416 0.794621 F\n0.853534 0.531096 0.439976 F\n0.896432 0.858417 0.261316 F\n0.633020 0.288414 0.937120 F\n0.741736 0.600376 0.599345 F\n0.791753 0.879666 0.423113 F\n0.658628 0.946450 0.577613 F\n0.535502 0.616332 0.839734 F\n0.539456 0.972430 0.711655 F\n0.568024 0.529035 0.713951 F\n0.881306 0.223609 0.060500 F\n0.802863 0.234829 0.225517 F\n0.702855 0.259316 0.366756 F\n0.817950 0.550386 0.029260 F\n0.722233 0.609768 0.172158 F\n0.378923 0.985318 0.845465 F\n0.522862 0.276971 0.501817 F\n0.658394 0.931016 0.038642 F\n0.441063 0.293081 0.635676 F\n0.558937 0.706919 0.364324 F\n0.341606 0.068984 0.961358 F\n0.477138 0.723029 0.498183 F\n0.621077 0.014682 0.154535 F\n0.277767 0.390232 0.827842 F\n0.182050 0.449614 0.970740 F\n0.297145 0.740684 0.633244 F\n0.197137 0.765171 0.774483 F\n0.118694 0.776391 0.939500 F\n0.431976 0.470965 0.286049 F\n0.460544 0.027570 0.288345 F\n0.464498 0.383668 0.160266 F\n0.341372 0.053550 0.422387 F\n0.208247 0.120334 0.576887 F\n0.258264 0.399624 0.400655 F\n0.366980 0.711586 0.062880 F\n0.103568 0.141583 0.738684 F\n0.146466 0.468904 0.560024 F\n0.271001 0.746584 0.205379 F\n0.034381 0.478114 0.717995 F\n0.369945 0.211502 0.064967 F\n0.138891 0.784088 0.355106 F\n0.036497 0.828835 0.515859 F\n0.189886 0.074666 0.173689 F\n0.096006 0.136184 0.326629 F\n0.058534 0.470988 0.127368 F\n0.021987 0.831024 0.099618 F\n",
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{
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