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{
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"results": [
{
"id": "mp-865140",
"created_at": "2022-09-04T14:40:40.740191Z",
"structure_string": "Mn1 Ga1 Ru2\n1.0\n-0.001254 3.006738 3.006292\n3.007054 -0.001070 3.006109\n3.007668 3.007168 -0.001686\nMn Ga Ru\n1 1 2\ndirect\n0.749982 0.750070 0.749958 Mn\n0.250036 0.249939 0.250007 Ga\n0.999973 0.999976 0.999926 Ru\n0.500011 0.500015 0.500110 Ru\n",
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],
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"volume": 54.40635550119769,
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"formula_full": "Mn1 Ga1 Ru2",
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"spacegroup": 225
},
{
"id": "mp-26927",
"created_at": "2022-09-04T14:43:14.493132Z",
"structure_string": "Li2 Mn4 P6 O20\n1.0\n4.347532 7.918937 0.000000\n-4.347532 7.918937 0.000000\n0.000000 9.798038 6.814188\nLi Mn P O\n2 4 6 20\ndirect\n0.838880 0.161120 0.250000 Li\n0.161120 0.838880 0.750000 Li\n0.206460 0.662707 0.585125 Mn\n0.662707 0.206460 0.085125 Mn\n0.337293 0.793540 0.914875 Mn\n0.793540 0.337293 0.414875 Mn\n0.253068 0.358289 0.072253 P\n0.669507 0.330493 0.750000 P\n0.358289 0.253068 0.572253 P\n0.641711 0.746932 0.427747 P\n0.746932 0.641711 0.927747 P\n0.330493 0.669507 0.250000 P\n0.745497 0.225310 0.659074 O\n0.728396 0.645243 0.328438 O\n0.225310 0.745497 0.159074 O\n0.042603 0.255205 0.213492 O\n0.254503 0.774690 0.340926 O\n0.271604 0.354757 0.671562 O\n0.774690 0.254503 0.840926 O\n0.957397 0.744795 0.786508 O\n0.354757 0.271604 0.171562 O\n0.777399 0.396772 0.042729 O\n0.585581 0.698030 0.089779 O\n0.744795 0.957397 0.286508 O\n0.396772 0.777399 0.542729 O\n0.301970 0.414419 0.410221 O\n0.698030 0.585581 0.589779 O\n0.603228 0.222601 0.457271 O\n0.255205 0.042603 0.713492 O\n0.414419 0.301970 0.910221 O\n0.222601 0.603228 0.957271 O\n0.645243 0.728396 0.828438 O\n",
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"elements": [
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],
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"volume": 469.195439544597,
"volume_molar": 8.829878065273855,
"formula_full": "Li2 Mn4 P6 O20",
"formula_reduced": "LiMn2P3O10",
"formula_anonymous": "AB2C3D10",
"energy": -254.400515,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.237000Z",
"spacegroup": 15
},
{
"id": "mp-631631",
"created_at": "2022-09-04T14:45:38.878463Z",
"structure_string": "Mn5 V2 Pb3 O16\n1.0\n2.924330 -5.065088 0.000000\n2.924330 5.065088 0.000000\n0.000000 0.000000 11.449685\nMn V Pb O\n5 2 3 16\ndirect\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.310215 Mn\n0.000000 0.000000 0.689785 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.333333 0.666667 0.859388 V\n0.666667 0.333333 0.140612 V\n0.333333 0.666667 0.235256 Pb\n0.666667 0.333333 0.764744 Pb\n0.000000 0.000000 0.000000 Pb\n0.177903 0.355806 0.405749 O\n0.666667 0.333333 0.993055 O\n0.165498 0.834502 0.815164 O\n0.355806 0.177903 0.594251 O\n0.333333 0.666667 0.584828 O\n0.165498 0.330995 0.815164 O\n0.822097 0.644194 0.594251 O\n0.644194 0.822097 0.405749 O\n0.822097 0.177903 0.594251 O\n0.333333 0.666667 0.006945 O\n0.330995 0.165498 0.184836 O\n0.177903 0.822097 0.405749 O\n0.834502 0.165498 0.184836 O\n0.834502 0.669005 0.184836 O\n0.669005 0.834502 0.815164 O\n0.666667 0.333333 0.415172 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Mn",
"V",
"Pb",
"O"
],
"chemical_system": "Mn-O-Pb-V",
"density": 6.1399719769717915,
"density_atomic": 0.07665428532377495,
"volume": 339.18521176187767,
"volume_molar": 7.8562349574632115,
"formula_full": "Mn5 V2 Pb3 O16",
"formula_reduced": "Mn5V2Pb3O16",
"formula_anonymous": "A2B3C5D16",
"energy": -206.7004726,
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"updated_at": "2021-11-28T01:37:02.765000Z",
"spacegroup": 164
},
{
"id": "mp-22642",
"created_at": "2022-09-04T14:48:24.861582Z",
"structure_string": "Zr24 Se12\n1.0\n3.640700 0.000000 0.000000\n0.000000 12.727770 0.000000\n0.000000 0.000000 15.906457\nZr Se\n24 12\ndirect\n0.000000 0.850317 0.976216 Zr\n0.000000 0.149683 0.023784 Zr\n0.500000 0.350317 0.523784 Zr\n0.500000 0.649683 0.476216 Zr\n0.000000 0.922754 0.746901 Zr\n0.000000 0.077246 0.253099 Zr\n0.500000 0.422754 0.753099 Zr\n0.500000 0.577246 0.246901 Zr\n0.000000 0.416863 0.919804 Zr\n0.000000 0.583137 0.080196 Zr\n0.500000 0.916863 0.580196 Zr\n0.500000 0.083137 0.419804 Zr\n0.000000 0.532467 0.609694 Zr\n0.000000 0.467533 0.390306 Zr\n0.500000 0.032467 0.890306 Zr\n0.500000 0.967533 0.109694 Zr\n0.000000 0.199418 0.796804 Zr\n0.000000 0.800582 0.203196 Zr\n0.500000 0.699418 0.703196 Zr\n0.500000 0.300582 0.296804 Zr\n0.000000 0.122749 0.576031 Zr\n0.000000 0.877251 0.423969 Zr\n0.500000 0.622749 0.923969 Zr\n0.500000 0.377251 0.076031 Zr\n0.000000 0.579112 0.793242 Se\n0.000000 0.420888 0.206758 Se\n0.500000 0.079112 0.706758 Se\n0.500000 0.920888 0.293242 Se\n0.000000 0.754549 0.580251 Se\n0.000000 0.245451 0.419749 Se\n0.500000 0.254549 0.919749 Se\n0.500000 0.745451 0.080251 Se\n0.000000 0.317172 0.651887 Se\n0.000000 0.682828 0.348113 Se\n0.500000 0.817172 0.848113 Se\n0.500000 0.182828 0.151887 Se\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Zr",
"Se"
],
"chemical_system": "Se-Zr",
"density": 7.067056275166067,
"density_atomic": 0.048841819296959646,
"volume": 737.0732810159872,
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"formula_full": "Zr24 Se12",
"formula_reduced": "Zr2Se",
"formula_anonymous": "AB2",
"energy": -286.20081797,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:39:30.702000Z",
"spacegroup": 58
},
{
"id": "mp-27485",
"created_at": "2022-09-04T14:40:36.581967Z",
"structure_string": "Tc8 O28\n1.0\n5.891361 0.000000 0.000000\n0.000000 7.819733 0.000000\n0.000000 0.000000 14.269104\nTc O\n8 28\ndirect\n0.805490 0.487534 0.396459 Tc\n0.305490 0.512466 0.103541 Tc\n0.694510 0.987534 0.603541 Tc\n0.194510 0.012466 0.896459 Tc\n0.194510 0.512466 0.603541 Tc\n0.694510 0.487534 0.896459 Tc\n0.305490 0.012466 0.396459 Tc\n0.805490 0.987534 0.103541 Tc\n0.578924 0.620649 0.415124 O\n0.078924 0.379351 0.084876 O\n0.921076 0.120649 0.584876 O\n0.421076 0.879351 0.915124 O\n0.421076 0.379351 0.584876 O\n0.921076 0.620649 0.915124 O\n0.078924 0.879351 0.415124 O\n0.578924 0.120649 0.084876 O\n0.000000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.705905 0.783613 0.117039 O\n0.205905 0.216387 0.382961 O\n0.794095 0.283613 0.882961 O\n0.294095 0.716387 0.617039 O\n0.294095 0.216387 0.882961 O\n0.794095 0.783613 0.617039 O\n0.205905 0.716387 0.117039 O\n0.705905 0.283613 0.382961 O\n0.939866 0.048857 0.203949 O\n0.439866 0.951143 0.296051 O\n0.560134 0.548857 0.796051 O\n0.060134 0.451143 0.703949 O\n0.060134 0.951143 0.796051 O\n0.560134 0.048857 0.703949 O\n0.439866 0.451143 0.203949 O\n0.939866 0.548857 0.296051 O\n",
"nsites": 36,
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"elements": [
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],
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"density": 3.11207188213836,
"density_atomic": 0.054764387833719626,
"volume": 657.3614975722237,
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"formula_full": "Tc8 O28",
"formula_reduced": "Tc2O7",
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"energy": -286.20204791,
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"updated_at": "2021-11-28T01:35:03.166000Z",
"spacegroup": 61
},
{
"id": "mp-1095141",
"created_at": "2022-09-04T14:44:10.433684Z",
"structure_string": "Sr4 Mn2 Mo2 O12\n1.0\n-5.693261 -0.000081 -0.000004\n-2.846594 2.846555 -4.110403\n-2.846755 -8.539723 -4.110331\nSr Mn Mo O\n4 2 2 12\ndirect\n0.249989 0.375005 0.125033 Sr\n0.250005 0.875001 0.624988 Sr\n0.750001 0.624992 0.875001 Sr\n0.750000 0.125010 0.375016 Sr\n0.000018 0.499934 0.499775 Mn\n0.999943 0.000046 0.000062 Mn\n0.499997 0.750003 0.250029 Mo\n0.500041 0.249989 0.749971 Mo\n0.737491 0.393730 0.131278 O\n0.737664 0.893523 0.631174 O\n0.262438 0.606364 0.868781 O\n0.262398 0.106396 0.368809 O\n0.209347 0.159363 0.840617 O\n0.209288 0.659310 0.340689 O\n0.790712 0.340667 0.659330 O\n0.790654 0.840653 0.159413 O\n0.681288 0.104671 0.895318 O\n0.681368 0.604650 0.395356 O\n0.318667 0.395341 0.604649 O\n0.318692 0.895349 0.104710 O\n",
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"elements": [
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],
"chemical_system": "Mn-Mo-O-Sr",
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"formula_full": "Sr4 Mn2 Mo2 O12",
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"updated_at": "2021-11-28T01:36:32.940000Z",
"spacegroup": 87
},
{
"id": "mp-530050",
"created_at": "2022-09-04T14:40:56.557424Z",
"structure_string": "Fe43 O64\n1.0\n6.052781 6.010813 0.000000\n-6.052781 6.010813 0.000000\n0.000000 0.103912 17.059464\nFe O\n43 64\ndirect\n0.007057 0.252477 0.935601 Fe\n0.003108 0.260782 0.435565 Fe\n0.120471 0.132408 0.121615 Fe\n0.116555 0.113956 0.621100 Fe\n0.134900 0.381893 0.747612 Fe\n0.126927 0.390351 0.243177 Fe\n0.125556 0.874444 0.000000 Fe\n0.134255 0.630458 0.871978 Fe\n0.138910 0.640282 0.373540 Fe\n0.244280 0.007671 0.810214 Fe\n0.249647 0.008948 0.308192 Fe\n0.260748 0.497083 0.058541 Fe\n0.249123 0.495615 0.557594 Fe\n0.369542 0.865745 0.128022 Fe\n0.359718 0.861090 0.626460 Fe\n0.384449 0.118584 0.994497 Fe\n0.363984 0.115682 0.497597 Fe\n0.389080 0.375565 0.870170 Fe\n0.379271 0.385837 0.369045 Fe\n0.492494 0.244794 0.184744 Fe\n0.495613 0.237693 0.687526 Fe\n0.502917 0.739252 0.941459 Fe\n0.504385 0.750877 0.442406 Fe\n0.609649 0.873073 0.756823 Fe\n0.618107 0.865100 0.252388 Fe\n0.624435 0.610920 0.129830 Fe\n0.614163 0.620729 0.630955 Fe\n0.625630 0.125628 0.374108 Fe\n0.637920 0.362080 0.000000 Fe\n0.624037 0.375963 0.500000 Fe\n0.747523 0.992943 0.064399 Fe\n0.739218 0.996892 0.564435 Fe\n0.755206 0.507506 0.815256 Fe\n0.762307 0.504387 0.312474 Fe\n0.871767 0.134230 0.244097 Fe\n0.865770 0.128233 0.755903 Fe\n0.874372 0.374370 0.625892 Fe\n0.867592 0.879529 0.878385 Fe\n0.886044 0.883445 0.378900 Fe\n0.881416 0.615551 0.005503 Fe\n0.884318 0.636016 0.502403 Fe\n0.991052 0.750353 0.691808 Fe\n0.992329 0.755720 0.189786 Fe\n0.109169 0.138449 0.741194 O\n0.111674 0.138384 0.244704 O\n0.116128 0.865343 0.872485 O\n0.117395 0.872631 0.368289 O\n0.107594 0.611992 0.754119 O\n0.106197 0.618177 0.257169 O\n0.134657 0.883872 0.127515 O\n0.127369 0.882605 0.631711 O\n0.117209 0.623681 0.995820 O\n0.111775 0.608387 0.492537 O\n0.145121 0.365754 0.128940 O\n0.113742 0.367295 0.627729 O\n0.133659 0.124391 0.004868 O\n0.132003 0.144152 0.503508 O\n0.135332 0.387426 0.866881 O\n0.139953 0.387513 0.369511 O\n0.362737 0.110477 0.118565 O\n0.359144 0.114814 0.617127 O\n0.365908 0.358554 0.752477 O\n0.364109 0.357080 0.256602 O\n0.356468 0.137989 0.879887 O\n0.385625 0.133650 0.379595 O\n0.388008 0.892406 0.245881 O\n0.381823 0.893803 0.742831 O\n0.362915 0.611481 0.883750 O\n0.370478 0.617332 0.384024 O\n0.376319 0.882791 0.004180 O\n0.391613 0.888225 0.507463 O\n0.388519 0.637085 0.116250 O\n0.382668 0.629522 0.615976 O\n0.389536 0.359463 0.992573 O\n0.388143 0.361919 0.494488 O\n0.612574 0.864668 0.133119 O\n0.612487 0.860047 0.630489 O\n0.617120 0.131188 0.007728 O\n0.616827 0.136206 0.495880 O\n0.608931 0.381696 0.120277 O\n0.631468 0.378859 0.620798 O\n0.637899 0.109952 0.740772 O\n0.633887 0.120135 0.255292 O\n0.618304 0.391069 0.879723 O\n0.621141 0.368532 0.379202 O\n0.642920 0.635891 0.743398 O\n0.641446 0.634092 0.247523 O\n0.634246 0.854879 0.871060 O\n0.632705 0.886258 0.372271 O\n0.640537 0.610464 0.007427 O\n0.638081 0.611857 0.505512 O\n0.861616 0.888326 0.755296 O\n0.861551 0.890831 0.258806 O\n0.862011 0.643532 0.120113 O\n0.866350 0.614375 0.620405 O\n0.875609 0.866341 0.995132 O\n0.855848 0.867997 0.496492 O\n0.886683 0.107149 0.130304 O\n0.879293 0.133446 0.625663 O\n0.868812 0.382880 0.992272 O\n0.863794 0.383173 0.504120 O\n0.892851 0.113317 0.869696 O\n0.866554 0.120707 0.374337 O\n0.890048 0.362101 0.259228 O\n0.879865 0.366113 0.744708 O\n0.889523 0.637263 0.881435 O\n0.885186 0.640856 0.382873 O\n",
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},
{
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{
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{
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"structure_string": "Li8 Ti4 Cr4 P12 O48\n1.0\n8.637824 0.000000 0.000000\n0.000000 8.730277 0.000000\n0.000000 0.000000 12.115151\nLi Ti Cr P O\n8 4 4 12 48\ndirect\n0.465503 0.783976 0.682010 Li\n0.533271 0.280751 0.819566 Li\n0.534497 0.216024 0.182010 Li\n0.466729 0.719249 0.319566 Li\n0.033271 0.219249 0.319566 Li\n0.965503 0.716024 0.182010 Li\n0.966729 0.780751 0.819566 Li\n0.034497 0.283976 0.682010 Li\n0.502488 0.464456 0.611339 Ti\n0.497512 0.535544 0.111339 Ti\n0.002488 0.035544 0.111339 Ti\n0.997512 0.964456 0.611339 Ti\n0.498812 0.965134 0.886571 Cr\n0.501188 0.034866 0.386571 Cr\n0.998812 0.534866 0.386571 Cr\n0.001188 0.465134 0.886571 Cr\n0.713139 0.749495 0.498458 P\n0.286861 0.250505 0.998458 P\n0.786861 0.249495 0.498458 P\n0.213139 0.750505 0.998458 P\n0.646229 0.609646 0.852736 P\n0.355130 0.107640 0.646198 P\n0.353771 0.390354 0.352736 P\n0.644870 0.892360 0.146198 P\n0.855130 0.392360 0.146198 P\n0.146229 0.890354 0.352736 P\n0.144870 0.607640 0.646198 P\n0.853771 0.109646 0.852736 P\n0.590432 0.562458 0.970899 O\n0.404967 0.062171 0.530908 O\n0.409568 0.437542 0.470899 O\n0.595033 0.937829 0.030908 O\n0.904967 0.437829 0.030908 O\n0.090432 0.937542 0.470899 O\n0.095033 0.562171 0.530908 O\n0.909568 0.062458 0.970899 O\n0.605803 0.660679 0.581202 O\n0.396734 0.163715 0.920880 O\n0.394197 0.339321 0.081202 O\n0.603266 0.836285 0.420880 O\n0.896734 0.336285 0.420880 O\n0.105803 0.839321 0.081202 O\n0.103266 0.663715 0.920880 O\n0.894197 0.160679 0.581202 O\n0.588942 0.770613 0.822287 O\n0.410130 0.274102 0.675876 O\n0.411058 0.229387 0.322287 O\n0.589870 0.725898 0.175876 O\n0.910130 0.225898 0.175876 O\n0.088942 0.729387 0.322287 O\n0.089870 0.774102 0.675876 O\n0.911058 0.270613 0.822287 O\n0.309140 0.858755 0.929010 O\n0.686966 0.358507 0.570670 O\n0.690860 0.141245 0.429010 O\n0.313034 0.641493 0.070670 O\n0.186966 0.141493 0.070670 O\n0.809140 0.641245 0.429010 O\n0.813034 0.858507 0.570670 O\n0.190860 0.358755 0.929010 O\n0.423699 0.991150 0.728763 O\n0.575472 0.489726 0.772119 O\n0.576301 0.008850 0.228763 O\n0.424528 0.510274 0.272119 O\n0.075472 0.010274 0.272119 O\n0.923699 0.508850 0.228763 O\n0.924528 0.989726 0.772119 O\n0.076301 0.491150 0.728763 O\n0.325135 0.605746 0.655368 O\n0.676200 0.107607 0.845141 O\n0.674865 0.394254 0.155368 O\n0.323800 0.892393 0.345141 O\n0.176200 0.392393 0.345141 O\n0.825135 0.894254 0.155368 O\n0.823800 0.607607 0.845141 O\n0.174865 0.105746 0.655368 O\n",
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{
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"structure_string": "Li8 Mn8 Si16 O48\n1.0\n5.221752 0.000000 0.000000\n0.013752 8.923719 0.000000\n0.245522 0.063045 18.413500\nLi Mn Si O\n8 8 16 48\ndirect\n0.627492 0.988023 0.123278 Li\n0.127379 0.511144 0.124228 Li\n0.622532 0.841241 0.375373 Li\n0.625496 0.506170 0.374670 Li\n0.873591 0.001975 0.622726 Li\n0.875447 0.345118 0.623209 Li\n0.376791 0.659627 0.876626 Li\n0.874844 0.840550 0.876945 Li\n0.612618 0.352160 0.125566 Mn\n0.110863 0.146789 0.125841 Mn\n0.119945 0.647923 0.375069 Mn\n0.129200 0.008539 0.373154 Mn\n0.370902 0.511506 0.623696 Mn\n0.379203 0.147721 0.622527 Mn\n0.372026 0.997662 0.875160 Mn\n0.871611 0.501333 0.876128 Mn\n0.695747 0.659448 0.028953 Si\n0.195343 0.840241 0.028983 Si\n0.430139 0.657058 0.228402 Si\n0.936728 0.836967 0.227848 Si\n0.441420 0.163903 0.271900 Si\n0.938075 0.340327 0.271872 Si\n0.704526 0.163519 0.473243 Si\n0.208132 0.339653 0.473321 Si\n0.797473 0.664185 0.525336 Si\n0.293180 0.840531 0.525481 Si\n0.067890 0.661658 0.726988 Si\n0.570826 0.844727 0.726635 Si\n0.082052 0.156872 0.771292 Si\n0.575654 0.339565 0.772373 Si\n0.787846 0.163882 0.972324 Si\n0.287910 0.335168 0.972412 Si\n0.401835 0.708311 0.053918 O\n0.900642 0.791419 0.054071 O\n0.791726 0.161848 0.061311 O\n0.292722 0.336735 0.061129 O\n0.780998 0.506706 0.071966 O\n0.279796 0.992248 0.071994 O\n0.451226 0.176235 0.182441 O\n0.954975 0.320508 0.182125 O\n0.937581 0.004684 0.195038 O\n0.441272 0.491578 0.193788 O\n0.662320 0.767955 0.200725 O\n0.163748 0.728416 0.194969 O\n0.163503 0.227806 0.305681 O\n0.671230 0.264964 0.303757 O\n0.940417 0.506118 0.302822 O\n0.426291 0.998483 0.309415 O\n0.426540 0.659598 0.317426 O\n0.957384 0.834733 0.317375 O\n0.817587 0.018805 0.429897 O\n0.297990 0.490732 0.432936 O\n0.815876 0.651264 0.436942 O\n0.284668 0.847361 0.436329 O\n0.405559 0.200921 0.445573 O\n0.908531 0.299919 0.452613 O\n0.097896 0.699360 0.552852 O\n0.593267 0.800138 0.547213 O\n0.683334 0.151899 0.561977 O\n0.222916 0.342667 0.563053 O\n0.684334 0.518500 0.568303 O\n0.195686 0.989081 0.565761 O\n0.076073 0.158104 0.683384 O\n0.547932 0.343873 0.684868 O\n0.560093 0.008909 0.690844 O\n0.073130 0.500160 0.684777 O\n0.350468 0.724558 0.694395 O\n0.843938 0.772640 0.696474 O\n0.350156 0.227307 0.806142 O\n0.850824 0.268462 0.801093 O\n0.581854 0.501329 0.812738 O\n0.080344 0.995274 0.812373 O\n0.058322 0.650141 0.814171 O\n0.553786 0.844903 0.814537 O\n0.675459 0.017177 0.932467 O\n0.175646 0.482898 0.932838 O\n0.700904 0.646022 0.940911 O\n0.199731 0.853816 0.940920 O\n0.092723 0.195515 0.946154 O\n0.593888 0.304732 0.945956 O\n",
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}