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{
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"results": [
{
"id": "mp-766702",
"created_at": "2022-09-04T14:42:19.162829Z",
"structure_string": "Li8 Si6 Ni2 O18\n1.0\n5.059314 3.671977 0.000000\n-5.059314 3.671977 0.000000\n0.000000 0.264465 9.981591\nLi Si Ni O\n8 6 2 18\ndirect\n0.808815 0.621864 0.210456 Li\n0.461082 0.813784 0.787422 Li\n0.559675 0.440325 0.500000 Li\n0.990602 0.009398 0.500000 Li\n0.625860 0.374140 0.000000 Li\n0.001177 0.998823 0.000000 Li\n0.186216 0.538918 0.212578 Li\n0.378136 0.191185 0.789544 Li\n0.882115 0.662538 0.747313 Si\n0.485313 0.927871 0.493929 Si\n0.509813 0.871945 0.052522 Si\n0.128055 0.490187 0.947478 Si\n0.072129 0.514687 0.506071 Si\n0.337462 0.117885 0.252687 Si\n0.830408 0.184733 0.249112 Ni\n0.815267 0.169592 0.750888 Ni\n0.791340 0.860484 0.793078 O\n0.954962 0.690235 0.584371 O\n0.747898 0.894635 0.120047 O\n0.714094 0.969852 0.408124 O\n0.948071 0.493689 0.063915 O\n0.969374 0.496672 0.357830 O\n0.324317 0.879607 0.174741 O\n0.689827 0.424951 0.775175 O\n0.354942 0.645058 0.500000 O\n0.394838 0.605162 0.000000 O\n0.575049 0.310173 0.224825 O\n0.120393 0.675683 0.825259 O\n0.503328 0.030626 0.642170 O\n0.506311 0.051929 0.936085 O\n0.030148 0.285906 0.591876 O\n0.105365 0.252102 0.879953 O\n0.309765 0.045038 0.415629 O\n0.139516 0.208660 0.206922 O\n",
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"elements": [
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"O"
],
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"volume": 370.86969968234536,
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"formula_full": "Li8 Si6 Ni2 O18",
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"updated_at": "2021-11-28T01:35:34.825000Z",
"spacegroup": 5
},
{
"id": "mp-756927",
"created_at": "2022-09-04T14:40:11.506489Z",
"structure_string": "Li5 Nb2 Cu5 O12\n1.0\n5.191284 -0.072960 0.074363\n2.200428 4.702433 -0.074363\n-0.332991 0.531674 9.857968\nLi Nb Cu O\n5 2 5 12\ndirect\n0.159171 0.683628 0.502766 Li\n0.315925 0.848245 0.990788 Li\n0.683628 0.159171 0.997234 Li\n0.848245 0.315925 0.509212 Li\n0.911224 0.911224 0.750000 Li\n0.246778 0.246778 0.750000 Nb\n0.740735 0.740735 0.250000 Nb\n0.077584 0.077584 0.250000 Cu\n0.998949 0.510333 0.996911 Cu\n0.510333 0.998949 0.503089 Cu\n0.410984 0.410984 0.250000 Cu\n0.589716 0.589716 0.750000 Cu\n0.991482 0.201902 0.884006 O\n0.201902 0.991482 0.615994 O\n0.074342 0.417847 0.350275 O\n0.417847 0.074342 0.149725 O\n0.307774 0.539382 0.869930 O\n0.539382 0.307774 0.630070 O\n0.472943 0.688194 0.378456 O\n0.688194 0.472943 0.121544 O\n0.575165 0.922085 0.851327 O\n0.922085 0.575165 0.648673 O\n0.809026 0.006583 0.382369 O\n0.006583 0.809026 0.117631 O\n",
"nsites": 24,
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"elements": [
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"Cu",
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],
"chemical_system": "Cu-Li-Nb-O",
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"density_atomic": 0.09891240638249608,
"volume": 242.6389254669587,
"volume_molar": 6.088357345904892,
"formula_full": "Li5 Nb2 Cu5 O12",
"formula_reduced": "Li5Nb2Cu5O12",
"formula_anonymous": "A2B5C5D12",
"energy": -155.28952909,
"energy_per_atom": -6.470397045416667,
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"updated_at": "2021-11-28T01:34:53.759000Z",
"spacegroup": 5
},
{
"id": "mp-1222392",
"created_at": "2022-09-04T14:40:08.616074Z",
"structure_string": "Li1 U1 I6\n1.0\n6.508653 3.957713 0.000000\n-6.508653 3.957713 0.000000\n0.000000 2.663344 6.921659\nLi U I\n1 1 6\ndirect\n0.845525 0.154475 0.500000 Li\n0.000943 0.999057 0.000000 U\n0.226032 0.234176 0.235329 I\n0.765824 0.773968 0.764671 I\n0.063234 0.383990 0.745135 I\n0.392699 0.076267 0.757579 I\n0.923733 0.607301 0.242421 I\n0.616010 0.936766 0.254865 I\n",
"nsites": 8,
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"elements": [
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"I"
],
"chemical_system": "I-Li-U",
"density": 4.686436138472912,
"density_atomic": 0.022434395706661548,
"volume": 356.59529699855136,
"volume_molar": 26.843338410991024,
"formula_full": "Li1 U1 I6",
"formula_reduced": "LiUI6",
"formula_anonymous": "ABC6",
"energy": -31.64570647,
"energy_per_atom": -3.95571330875,
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"updated_at": "2021-11-28T01:34:45.735000Z",
"spacegroup": 5
},
{
"id": "mp-776498",
"created_at": "2022-09-04T14:40:09.415953Z",
"structure_string": "Mn8 O12 F4\n1.0\n3.340564 4.363810 0.000000\n-3.340564 4.363810 0.000000\n0.000000 0.426708 8.735822\nMn O F\n8 12 4\ndirect\n0.623416 0.626709 0.875545 Mn\n0.891861 0.857346 0.625868 Mn\n0.231056 0.269690 0.749277 Mn\n0.485358 0.514642 0.500000 Mn\n0.730310 0.768944 0.250723 Mn\n0.142654 0.108139 0.374132 Mn\n0.373291 0.376584 0.124455 Mn\n0.027536 0.972464 0.000000 Mn\n0.939109 0.557961 0.750028 O\n0.717086 0.728009 0.474130 O\n0.469005 0.474184 0.720618 O\n0.226072 0.218228 0.970308 O\n0.973524 0.972748 0.221925 O\n0.027252 0.026476 0.778075 O\n0.525816 0.530995 0.279382 O\n0.271991 0.282914 0.525870 O\n0.781772 0.773928 0.029692 O\n0.198162 0.801838 0.500000 O\n0.442039 0.060891 0.249972 O\n0.312657 0.687343 0.000000 O\n0.546048 0.965927 0.743985 F\n0.810176 0.189824 0.500000 F\n0.719735 0.280265 0.000000 F\n0.034073 0.453952 0.256015 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.612649718482285,
"density_atomic": 0.09423057473138828,
"volume": 254.6944032593869,
"volume_molar": 6.390856446717627,
"formula_full": "Mn8 O12 F4",
"formula_reduced": "Mn2O3F",
"formula_anonymous": "AB2C3",
"energy": -189.26947285,
"energy_per_atom": -7.886228035416667,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:52.465000Z",
"spacegroup": 5
},
{
"id": "mp-1228728",
"created_at": "2022-09-04T14:40:08.811665Z",
"structure_string": "Al4 In1 Ag1 Te8\n1.0\n5.930785 4.429582 0.000000\n-5.930785 4.429582 0.000000\n0.000000 0.036424 8.910942\nAl In Ag Te\n4 1 1 8\ndirect\n0.988380 0.011620 0.500000 Al\n0.510474 0.489526 0.000000 Al\n0.989844 0.489345 0.753164 Al\n0.510655 0.010156 0.246836 Al\n0.501271 0.498729 0.500000 In\n0.999816 0.000184 0.000000 Ag\n0.394455 0.121359 0.994249 Te\n0.904791 0.630590 0.491116 Te\n0.878641 0.605545 0.005751 Te\n0.369410 0.095209 0.508884 Te\n0.875753 0.148448 0.258523 Te\n0.368502 0.643543 0.765093 Te\n0.851552 0.124247 0.741477 Te\n0.356457 0.631498 0.234907 Te\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Al",
"In",
"Ag",
"Te"
],
"chemical_system": "Ag-Al-In-Te",
"density": 4.793011196934193,
"density_atomic": 0.02990194903240859,
"volume": 468.19690531966324,
"volume_molar": 20.139626194510033,
"formula_full": "Al4 In1 Ag1 Te8",
"formula_reduced": "Al4InAgTe8",
"formula_anonymous": "ABC4D8",
"energy": -54.59611467,
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"updated_at": "2021-11-28T01:34:55.238000Z",
"spacegroup": 5
},
{
"id": "mp-1212575",
"created_at": "2022-09-04T14:40:09.135208Z",
"structure_string": "H15 Se3 N3 O12\n1.0\n3.811344 10.106186 0.000000\n-3.811344 10.106186 0.000000\n0.000000 1.051827 4.523337\nH Se N O\n15 3 3 12\ndirect\n0.884074 0.790826 0.755532 H\n0.209174 0.115926 0.244468 H\n0.080238 0.341443 0.252244 H\n0.658557 0.919762 0.747756 H\n0.133246 0.551924 0.179139 H\n0.448076 0.866754 0.820861 H\n0.012161 0.283706 0.065367 H\n0.716294 0.987839 0.934633 H\n0.640874 0.421577 0.849663 H\n0.578423 0.359126 0.150337 H\n0.424559 0.515880 0.893521 H\n0.484120 0.575441 0.106479 H\n0.994205 0.261895 0.435192 H\n0.738105 0.005795 0.564808 H\n0.124357 0.875643 0.500000 H\n0.001379 0.998621 0.000000 Se\n0.256281 0.409218 0.637144 Se\n0.590782 0.743719 0.362856 Se\n0.072934 0.251950 0.248978 N\n0.748050 0.927066 0.751022 N\n0.528825 0.471175 0.000000 N\n0.413156 0.847940 0.655869 O\n0.152060 0.586844 0.344131 O\n0.654093 0.553723 0.316983 O\n0.446277 0.345907 0.683017 O\n0.759343 0.703030 0.448897 O\n0.296970 0.240657 0.551103 O\n0.107403 0.835837 0.759602 O\n0.164163 0.892597 0.240398 O\n0.943207 0.185829 0.824987 O\n0.814171 0.056793 0.175013 O\n0.090762 0.523518 0.920912 O\n0.476482 0.909238 0.079088 O\n",
"nsites": 33,
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"elements": [
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],
"chemical_system": "H-N-O-Se",
"density": 2.3160168443573963,
"density_atomic": 0.09470209000073014,
"volume": 348.4611585630853,
"volume_molar": 6.359036806847209,
"formula_full": "H15 Se3 N3 O12",
"formula_reduced": "H5SeNO4",
"formula_anonymous": "ABC4D5",
"energy": -177.22056994,
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"updated_at": "2021-11-28T01:34:45.988000Z",
"spacegroup": 5
},
{
"id": "mp-1233374",
"created_at": "2022-09-04T14:40:09.360396Z",
"structure_string": "Ba2 Mg1 V2 Si4 O14\n1.0\n-0.001424 -0.010608 5.595648\n7.348792 0.112669 -0.001790\n0.124531 7.698091 -2.810662\nBa Mg V Si O\n2 1 2 4 14\ndirect\n0.816205 0.751247 0.604451 Ba\n0.222618 0.233414 0.410166 Ba\n0.147412 0.492657 0.007774 Mg\n0.118035 0.762974 0.229256 V\n0.893477 0.221891 0.786380 V\n0.427960 0.519357 0.794328 Si\n0.644227 0.465408 0.219939 Si\n0.409135 0.963860 0.799269 Si\n0.621200 0.020413 0.215543 Si\n0.137385 0.444948 0.748298 O\n0.400881 0.539442 0.266920 O\n0.120979 0.048196 0.711205 O\n0.422991 0.936093 0.304666 O\n0.542260 0.492949 0.007159 O\n0.517868 0.991052 0.007616 O\n0.006323 0.732556 0.995245 O\n0.019033 0.252621 0.020416 O\n0.392363 0.742634 0.745956 O\n0.657808 0.241967 0.267643 O\n0.607708 0.429747 0.699850 O\n0.919200 0.555249 0.314699 O\n0.598993 0.047128 0.704699 O\n0.906935 0.938270 0.310395 O\n",
"nsites": 23,
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"elements": [
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"O"
],
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"density": 3.8706025520716807,
"density_atomic": 0.07272544130066975,
"volume": 316.25796404467036,
"volume_molar": 8.280652069339233,
"formula_full": "Ba2 Mg1 V2 Si4 O14",
"formula_reduced": "Ba2MgV2(Si2O7)2",
"formula_anonymous": "AB2C2D4E14",
"energy": -184.5952741,
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"updated_at": "2021-11-28T01:34:48.403000Z",
"spacegroup": 5
},
{
"id": "mp-1282801",
"created_at": "2022-09-04T14:40:09.564213Z",
"structure_string": "Li6 Mn2 Co6 O16\n1.0\n-2.897601 4.934133 -0.021695\n-0.045363 -3.336562 4.880199\n8.892071 5.046810 -0.050526\nLi Mn Co O\n6 2 6 16\ndirect\n0.749147 0.497827 0.243095 Li\n0.252006 0.503327 0.755905 Li\n0.999344 0.500035 0.001498 Li\n0.499907 0.499275 0.498196 Li\n0.001064 0.497950 0.497759 Li\n0.499892 0.503585 0.002434 Li\n0.994782 0.996942 0.999743 Mn\n0.503729 0.002259 0.500616 Mn\n0.496499 0.999025 0.999748 Co\n0.748629 0.997590 0.750755 Co\n0.254644 0.000770 0.754514 Co\n0.002890 0.000531 0.500125 Co\n0.252965 0.001077 0.248156 Co\n0.747139 0.000320 0.247896 Co\n0.885445 0.770900 0.120092 O\n0.393579 0.779508 0.620843 O\n0.105712 0.220090 0.878451 O\n0.614295 0.228858 0.381308 O\n0.104481 0.208507 0.380499 O\n0.596213 0.209862 0.876402 O\n0.908442 0.797222 0.620822 O\n0.392580 0.786097 0.121310 O\n0.138257 0.785210 0.389998 O\n0.632504 0.780974 0.890016 O\n0.647040 0.785124 0.390293 O\n0.135030 0.779860 0.886258 O\n0.358483 0.216690 0.610960 O\n0.855742 0.216922 0.112240 O\n0.869490 0.217274 0.608147 O\n0.360070 0.216389 0.111920 O\n",
"nsites": 30,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.44479861193184,
"density_atomic": 0.10550568716877758,
"volume": 284.34486144816975,
"volume_molar": 5.707882600078586,
"formula_full": "Li6 Mn2 Co6 O16",
"formula_reduced": "Li3MnCo3O8",
"formula_anonymous": "AB3C3D8",
"energy": -202.24041202,
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"spacegroup": 5
},
{
"id": "mp-849784",
"created_at": "2022-09-04T14:40:09.867742Z",
"structure_string": "Li3 Fe6 C6 O21\n1.0\n4.222095 7.181218 0.000000\n-4.222095 7.181218 0.000000\n0.000000 0.087140 8.062822\nLi Fe C O\n3 6 6 21\ndirect\n0.723070 0.276930 0.500000 Li\n0.996599 0.644150 0.493423 Li\n0.355850 0.003401 0.506577 Li\n0.672290 0.662084 0.806127 Fe\n0.337916 0.327710 0.193873 Fe\n0.659772 0.659325 0.261132 Fe\n0.340675 0.340228 0.738868 Fe\n0.997833 0.005546 0.272726 Fe\n0.994454 0.002167 0.727274 Fe\n0.003924 0.340477 0.296243 C\n0.659523 0.996076 0.703757 C\n0.658559 0.996199 0.295825 C\n0.003801 0.341441 0.704175 C\n0.332791 0.664393 0.295693 C\n0.335607 0.667209 0.704307 C\n0.967637 0.032363 0.500000 O\n0.919534 0.265492 0.777108 O\n0.734508 0.080466 0.222892 O\n0.837883 0.403564 0.352560 O\n0.596436 0.162117 0.647440 O\n0.917475 0.520841 0.687789 O\n0.479159 0.082525 0.312211 O\n0.676389 0.661777 0.023574 O\n0.338223 0.323611 0.976426 O\n0.169073 0.247437 0.646170 O\n0.752563 0.830927 0.353830 O\n0.513550 0.566015 0.705639 O\n0.433985 0.486450 0.294361 O\n0.817951 0.910264 0.773912 O\n0.089736 0.182049 0.226088 O\n0.562477 0.912661 0.690315 O\n0.087339 0.437523 0.309685 O\n0.399494 0.764886 0.354253 O\n0.235114 0.600506 0.645747 O\n0.168698 0.739024 0.236983 O\n0.260976 0.831302 0.763017 O\n",
"nsites": 36,
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"elements": [
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"Fe",
"C",
"O"
],
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"density": 2.594584284760458,
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"volume": 488.92605280511384,
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"formula_full": "Li3 Fe6 C6 O21",
"formula_reduced": "LiFe2C2O7",
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"energy": -278.74038344,
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{
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{
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{
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"structure_string": "Li12 Mn2 V6 P12 O48\n1.0\n6.824297 7.119517 0.000000\n-6.824297 7.119517 0.000000\n0.000000 0.725995 9.865333\nLi Mn V P O\n12 2 6 12 48\ndirect\n0.979048 0.549157 0.755184 Li\n0.144046 0.235947 0.811396 Li\n0.728561 0.571728 0.887293 Li\n0.645428 0.059680 0.981436 Li\n0.940320 0.354572 0.018564 Li\n0.428272 0.271439 0.112707 Li\n0.764053 0.855954 0.188604 Li\n0.450843 0.020952 0.244816 Li\n0.558479 0.732779 0.391484 Li\n0.357834 0.962424 0.517823 Li\n0.037576 0.642166 0.482177 Li\n0.267221 0.441521 0.608516 Li\n0.743569 0.468382 0.277500 Mn\n0.531618 0.256431 0.722500 Mn\n0.471086 0.754078 0.783229 V\n0.250081 0.749919 0.000000 V\n0.036126 0.963874 0.000000 V\n0.245922 0.528914 0.216771 V\n0.967997 0.032003 0.500000 V\n0.748551 0.251449 0.500000 V\n0.859399 0.168663 0.800928 P\n0.332066 0.453933 0.898719 P\n0.353105 0.050205 0.922498 P\n0.949795 0.646895 0.077502 P\n0.546067 0.667934 0.101281 P\n0.831337 0.140601 0.199072 P\n0.176572 0.846948 0.300185 P\n0.449483 0.321944 0.392870 P\n0.046748 0.347840 0.422176 P\n0.652160 0.953252 0.577824 P\n0.678056 0.550517 0.607130 P\n0.153052 0.823428 0.699815 P\n0.397560 0.114840 0.782867 O\n0.226109 0.406311 0.806155 O\n0.123361 0.829362 0.859434 O\n0.331701 0.614557 0.872466 O\n0.706943 0.190352 0.840731 O\n0.475355 0.391336 0.867382 O\n0.949509 0.281384 0.842068 O\n0.906783 0.029885 0.865252 O\n0.378623 0.889591 0.920262 O\n0.198206 0.085546 0.943098 O\n0.582946 0.703019 0.947668 O\n0.906434 0.560249 0.963454 O\n0.110409 0.621377 0.079738 O\n0.439751 0.093566 0.036546 O\n0.296981 0.417054 0.052332 O\n0.914454 0.801794 0.056902 O\n0.385443 0.668299 0.127534 O\n0.170638 0.876639 0.140566 O\n0.608664 0.524645 0.132618 O\n0.970115 0.093217 0.134748 O\n0.718616 0.050491 0.157932 O\n0.593689 0.773891 0.193845 O\n0.809648 0.293057 0.159269 O\n0.885160 0.602440 0.217133 O\n0.110829 0.387363 0.282193 O\n0.174225 0.689185 0.331870 O\n0.303102 0.910370 0.345128 O\n0.414033 0.205795 0.307608 O\n0.042471 0.905785 0.367609 O\n0.386302 0.460072 0.335611 O\n0.836675 0.121683 0.360532 O\n0.610408 0.332551 0.373087 O\n0.691006 0.592489 0.454606 O\n0.072232 0.188464 0.452682 O\n0.566080 0.903366 0.467282 O\n0.888237 0.376778 0.421609 O\n0.096634 0.433920 0.532718 O\n0.811536 0.927768 0.547318 O\n0.407511 0.308994 0.545394 O\n0.623222 0.111763 0.578391 O\n0.094215 0.957529 0.632391 O\n0.089630 0.696898 0.654872 O\n0.539928 0.613698 0.664389 O\n0.310815 0.825775 0.668130 O\n0.667449 0.389592 0.626913 O\n0.794205 0.585967 0.692392 O\n0.878317 0.163325 0.639468 O\n0.612637 0.889171 0.717807 O\n",
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]
}