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{
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"results": [
{
"id": "mp-1667051",
"created_at": "2022-09-04T14:44:01.909084Z",
"structure_string": "Sr8 La2 Mn10 O26\n1.0\n0.000301 -7.658940 -0.000005\n8.886141 -0.000350 -0.050092\n-0.006716 -3.829463 8.853639\nSr La Mn O\n8 2 10 26\ndirect\n0.797919 0.317546 0.897303 Sr\n0.304800 0.317529 0.897288 Sr\n0.201819 0.684571 0.099472 Sr\n0.698706 0.684578 0.099486 Sr\n0.896340 0.887617 0.706421 Sr\n0.397193 0.887623 0.706412 Sr\n0.102406 0.112442 0.296701 Sr\n0.600902 0.112457 0.296725 Sr\n0.997549 0.498376 0.503029 La\n0.499424 0.498289 0.503061 La\n0.099727 0.605229 0.800568 Mn\n0.900977 0.393695 0.198071 Mn\n0.697949 0.191975 0.604194 Mn\n0.302754 0.804144 0.394438 Mn\n0.803021 0.801790 0.393865 Mn\n0.498823 0.005638 0.002382 Mn\n0.999557 0.999134 0.000861 Mn\n0.600295 0.607036 0.799403 Mn\n0.399891 0.396918 0.200228 Mn\n0.196256 0.193050 0.607522 Mn\n0.505133 0.507534 0.989757 O\n0.003280 0.502631 0.993501 O\n0.156867 0.418666 0.686432 O\n0.663008 0.408792 0.673935 O\n0.342485 0.583197 0.314907 O\n0.842648 0.581425 0.314663 O\n0.956639 0.160108 0.589577 O\n0.453872 0.160184 0.589549 O\n0.041189 0.835658 0.413668 O\n0.545045 0.835719 0.413699 O\n0.099419 0.080943 0.801269 O\n0.598732 0.091024 0.802612 O\n0.398866 0.920479 0.202180 O\n0.899996 0.912963 0.199861 O\n0.043122 0.801141 0.913574 O\n0.541806 0.813939 0.916441 O\n0.456116 0.204860 0.087915 O\n0.958050 0.196246 0.083944 O\n0.201307 0.715230 0.597339 O\n0.701558 0.714051 0.596859 O\n0.294061 0.281062 0.411788 O\n0.797949 0.271250 0.404142 O\n0.859273 0.602634 0.790397 O\n0.350299 0.602738 0.790467 O\n0.146245 0.398936 0.207020 O\n0.646728 0.398951 0.207075 O\n",
"nsites": 46,
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"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 5.357643254561556,
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"volume": 602.5622231046518,
"volume_molar": 7.8885098352059515,
"formula_full": "Sr8 La2 Mn10 O26",
"formula_reduced": "Sr4LaMn5O13",
"formula_anonymous": "AB4C5D13",
"energy": -363.98386744,
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"updated_at": "2021-11-28T01:36:36.224000Z",
"spacegroup": 8
},
{
"id": "mp-30003",
"created_at": "2022-09-04T14:44:02.030344Z",
"structure_string": "Au8 S8 O32\n1.0\n8.531910 0.000000 0.000000\n0.000000 8.791321 0.000000\n0.000000 0.000000 10.597808\nAu S O\n8 8 32\ndirect\n0.946437 0.366199 0.015900 Au\n0.446437 0.633801 0.484100 Au\n0.553563 0.866199 0.984100 Au\n0.053563 0.133801 0.515900 Au\n0.053563 0.633801 0.984100 Au\n0.553563 0.366199 0.515900 Au\n0.446437 0.133801 0.015900 Au\n0.946437 0.866199 0.484100 Au\n0.230396 0.421206 0.638338 S\n0.730395 0.578794 0.861662 S\n0.269605 0.921206 0.361662 S\n0.769605 0.078794 0.138338 S\n0.769605 0.578794 0.361662 S\n0.269605 0.421206 0.138338 S\n0.730395 0.078794 0.638338 S\n0.230396 0.921206 0.861662 S\n0.363710 0.367160 0.027291 O\n0.863710 0.632840 0.472709 O\n0.136290 0.867160 0.972709 O\n0.636290 0.132840 0.527291 O\n0.636290 0.632840 0.972709 O\n0.136290 0.367160 0.527291 O\n0.863710 0.132840 0.027291 O\n0.363710 0.867160 0.472709 O\n0.771782 0.412420 0.890119 O\n0.271782 0.587580 0.609881 O\n0.728218 0.912420 0.109881 O\n0.228218 0.087580 0.390119 O\n0.228218 0.587580 0.109881 O\n0.728218 0.412420 0.390119 O\n0.271782 0.087580 0.890119 O\n0.771782 0.912420 0.609881 O\n0.151988 0.912918 0.742161 O\n0.651988 0.087082 0.757839 O\n0.348012 0.412918 0.257839 O\n0.848012 0.587082 0.242161 O\n0.848012 0.087082 0.257839 O\n0.348012 0.912918 0.242161 O\n0.651988 0.587082 0.742161 O\n0.151988 0.412918 0.757839 O\n0.117288 0.827617 0.353507 O\n0.617288 0.172383 0.146493 O\n0.382712 0.327617 0.646493 O\n0.882712 0.672383 0.853507 O\n0.882712 0.172383 0.646493 O\n0.382712 0.827617 0.853507 O\n0.617288 0.672383 0.353507 O\n0.117288 0.327617 0.146493 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Au",
"S",
"O"
],
"chemical_system": "Au-O-S",
"density": 4.897038149541343,
"density_atomic": 0.060384404367237396,
"volume": 794.9072364460256,
"volume_molar": 9.973006810459518,
"formula_full": "Au8 S8 O32",
"formula_reduced": "AuSO4",
"formula_anonymous": "ABC4",
"energy": -280.66318883,
"energy_per_atom": -5.8471497672916675,
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"updated_at": "2021-11-28T01:36:23.116000Z",
"spacegroup": 61
},
{
"id": "mp-1174240",
"created_at": "2022-09-04T14:44:02.188136Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n1.453005 10.667864 0.000000\n-1.453005 10.667864 0.000000\n0.000000 0.772966 5.886642\nLi Mn Co O\n6 2 2 10\ndirect\n0.000000 0.000000 0.000000 Li\n0.805213 0.805213 0.593635 Li\n0.590932 0.590932 0.218135 Li\n0.409068 0.409068 0.781865 Li\n0.194787 0.194787 0.406365 Li\n0.000000 0.000000 0.500000 Li\n0.198728 0.198728 0.898456 Mn\n0.801272 0.801272 0.101544 Mn\n0.588662 0.588662 0.691155 Co\n0.411338 0.411338 0.308845 Co\n0.896565 0.896565 0.536321 O\n0.705201 0.705201 0.120756 O\n0.504909 0.504909 0.754137 O\n0.295960 0.295960 0.318167 O\n0.110872 0.110872 0.933287 O\n0.103435 0.103435 0.463679 O\n0.889128 0.889128 0.066713 O\n0.704040 0.704040 0.681833 O\n0.495091 0.495091 0.245863 O\n0.294799 0.294799 0.879244 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9070702313803602,
"density_atomic": 0.10959425685328099,
"volume": 182.49131454739407,
"volume_molar": 5.4949419184092125,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy": -131.45849791,
"energy_per_atom": -6.5729248955,
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"total_magnetization": 14.0000002,
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"updated_at": "2021-11-28T01:36:32.862000Z",
"spacegroup": 12
},
{
"id": "mp-978968",
"created_at": "2022-09-04T14:44:02.235055Z",
"structure_string": "Ti6 O4\n1.0\n5.192634 -2.564233 0.000000\n5.192634 2.564233 0.000000\n3.926361 0.000000 4.257045\nTi O\n6 4\ndirect\n0.580085 0.919915 0.250000 Ti\n0.250000 0.580085 0.919915 Ti\n0.919915 0.250000 0.580085 Ti\n0.080085 0.750000 0.419915 Ti\n0.750000 0.419915 0.080085 Ti\n0.419915 0.080085 0.750000 Ti\n0.837732 0.837732 0.837732 O\n0.662268 0.662268 0.662268 O\n0.337732 0.337732 0.337732 O\n0.162268 0.162268 0.162268 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 5.144221684503451,
"density_atomic": 0.08820974481585359,
"volume": 113.36615949718448,
"volume_molar": 6.827069699126557,
"formula_full": "Ti6 O4",
"formula_reduced": "Ti3O2",
"formula_anonymous": "A2B3",
"energy": -90.69092864,
"energy_per_atom": -9.069092864,
"energy_above_hull": null,
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"energy_uncorrected": -87.94292864,
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"updated_at": "2021-11-28T01:36:23.064000Z",
"spacegroup": 167
},
{
"id": "mp-980189",
"created_at": "2022-09-04T14:44:24.906214Z",
"structure_string": "Na1 Yb3\n1.0\n0.000000 4.324975 4.324975\n4.324975 0.000000 4.324975\n4.324975 4.324975 0.000000\nNa Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Yb"
],
"chemical_system": "Na-Yb",
"density": 5.563595295849851,
"density_atomic": 0.024721748925026255,
"volume": 161.80085042246873,
"volume_molar": 24.359687408295304,
"formula_full": "Na1 Yb3",
"formula_reduced": "NaYb3",
"formula_anonymous": "AB3",
"energy": -5.6009213,
"energy_per_atom": -1.400230325,
"energy_above_hull": null,
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"energy_uncorrected": -5.6009213,
"band_gap": 0.0,
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"total_magnetization": 0.0022628,
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"updated_at": "2021-11-28T01:36:37.559000Z",
"spacegroup": 225
},
{
"id": "mp-1042811",
"created_at": "2022-09-04T14:44:01.805979Z",
"structure_string": "Nb4 Zn4 Sn2 O16\n1.0\n3.031991 10.482102 0.000000\n-3.031991 10.482102 0.000000\n0.000000 0.090854 5.404572\nNb Zn Sn O\n4 4 2 16\ndirect\n0.035820 0.712484 0.228035 Nb\n0.287516 0.964180 0.271965 Nb\n0.964180 0.287516 0.771965 Nb\n0.712484 0.035820 0.728035 Nb\n0.872371 0.570236 0.270021 Zn\n0.429764 0.127629 0.229979 Zn\n0.127629 0.429764 0.729979 Zn\n0.570236 0.872371 0.770021 Zn\n0.690197 0.309803 0.250000 Sn\n0.309803 0.690197 0.750000 Sn\n0.009478 0.827669 0.542168 O\n0.172331 0.990522 0.957832 O\n0.990522 0.172331 0.457832 O\n0.827669 0.009478 0.042168 O\n0.304610 0.560229 0.120464 O\n0.439771 0.695390 0.379536 O\n0.695390 0.439771 0.879536 O\n0.560229 0.304610 0.620464 O\n0.928571 0.704740 0.928407 O\n0.295260 0.071429 0.571593 O\n0.448544 0.153520 0.862752 O\n0.846480 0.551456 0.637248 O\n0.551456 0.846480 0.137248 O\n0.153520 0.448544 0.362752 O\n0.704740 0.928571 0.428407 O\n0.071429 0.295260 0.071593 O\n",
"nsites": 26,
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"elements": [
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"Zn",
"Sn",
"O"
],
"chemical_system": "Nb-O-Sn-Zn",
"density": 5.446016792883791,
"density_atomic": 0.07568429261150826,
"volume": 343.5323116972165,
"volume_molar": 7.95692283326474,
"formula_full": "Nb4 Zn4 Sn2 O16",
"formula_reduced": "Nb2Zn2SnO8",
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"energy": -195.02829292,
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"updated_at": "2021-11-28T01:36:19.970000Z",
"spacegroup": 15
},
{
"id": "mp-1078367",
"created_at": "2022-09-04T14:44:01.834628Z",
"structure_string": "In1 Ni2 Sb1 O6\n1.0\n-2.643219 -4.578179 0.001118\n2.643053 -4.578177 0.000686\n-0.000443 -3.053051 4.747269\nIn Ni Sb O\n1 2 1 6\ndirect\n0.794295 0.794317 0.617059 In\n0.001618 0.001642 0.995114 Ni\n0.506806 0.506799 0.479533 Ni\n0.304060 0.304045 0.087863 Sb\n0.213520 0.916138 0.283197 O\n0.916128 0.587133 0.283224 O\n0.587103 0.213538 0.283192 O\n0.697838 0.117150 0.800045 O\n0.117222 0.384988 0.800044 O\n0.384982 0.697821 0.800020 O\n",
"nsites": 10,
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"elements": [
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"Sb",
"O"
],
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"density": 6.50418937724267,
"density_atomic": 0.08705004781076263,
"volume": 114.87644466019039,
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"formula_full": "In1 Ni2 Sb1 O6",
"formula_reduced": "InNi2SbO6",
"formula_anonymous": "ABC2D6",
"energy": -64.93737969,
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"energy_above_hull": null,
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"total_magnetization": 7.29e-05,
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"updated_at": "2021-11-28T01:36:36.136000Z",
"spacegroup": 146
},
{
"id": "mp-756038",
"created_at": "2022-09-04T14:44:02.037454Z",
"structure_string": "Li4 Mn4 Cr2 O12\n1.0\n2.612076 -4.394882 0.000000\n2.612076 4.394882 0.000000\n0.000000 0.000000 10.209181\nLi Mn Cr O\n4 4 2 12\ndirect\n0.647394 0.147394 0.750000 Li\n0.852606 0.352606 0.250000 Li\n0.147394 0.647394 0.750000 Li\n0.352606 0.852606 0.250000 Li\n0.837177 0.162823 0.500000 Mn\n0.662823 0.337177 0.000000 Mn\n0.337177 0.662823 0.000000 Mn\n0.162823 0.837177 0.500000 Mn\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.670727 0.020913 0.106107 O\n0.329273 0.979087 0.893893 O\n0.520913 0.170727 0.393893 O\n0.829273 0.479087 0.606107 O\n0.165404 0.165404 0.596057 O\n0.334596 0.334596 0.096057 O\n0.665404 0.665404 0.903943 O\n0.979087 0.329273 0.893893 O\n0.834596 0.834596 0.403943 O\n0.170727 0.520913 0.393893 O\n0.479087 0.829273 0.606107 O\n0.020913 0.670727 0.106107 O\n",
"nsites": 22,
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"elements": [
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"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 3.8503096846729283,
"density_atomic": 0.09385745064463344,
"volume": 234.39801367818114,
"volume_molar": 6.416262873792784,
"formula_full": "Li4 Mn4 Cr2 O12",
"formula_reduced": "Li2Mn2CrO6",
"formula_anonymous": "AB2C2D6",
"energy": -169.23100852,
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{
"id": "mp-1187573",
"created_at": "2022-09-04T14:44:02.096880Z",
"structure_string": "Yb1 Mg1\n1.0\n3.975026 0.000000 0.000000\n0.000000 3.975026 0.000000\n0.000000 0.000000 3.859557\nYb Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
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"elements": [
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],
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"density": 5.373506992952356,
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"volume": 60.984210596165966,
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"formula_full": "Yb1 Mg1",
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},
{
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},
{
"id": "mp-1177039",
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"structure_string": "Li12 Mn2 V6 P12 O48\n1.0\n9.880771 0.000000 0.000000\n0.498320 9.883044 0.000000\n0.400187 0.505944 9.880821\nLi Mn V P O\n12 2 6 12 48\ndirect\n0.948080 0.998440 0.024293 Li\n0.263657 0.932716 0.862491 Li\n0.901929 0.871871 0.263128 Li\n0.431204 0.768763 0.362754 Li\n0.134693 0.738451 0.070796 Li\n0.229074 0.631426 0.581518 Li\n0.636864 0.571688 0.240881 Li\n0.479742 0.509446 0.551664 Li\n0.772290 0.350793 0.435845 Li\n0.556304 0.235668 0.628452 Li\n0.866877 0.266150 0.943951 Li\n0.065691 0.141010 0.732418 Li\n0.743545 0.974354 0.519335 Mn\n0.242803 0.025836 0.469920 Mn\n0.750350 0.751727 0.745247 V\n0.535166 0.750554 0.963169 V\n0.973457 0.531906 0.754650 V\n0.040691 0.466010 0.252673 V\n0.469183 0.249849 0.030643 V\n0.253282 0.249276 0.252088 V\n0.330320 0.949269 0.142746 P\n0.046366 0.853539 0.670115 P\n0.448042 0.824249 0.646097 P\n0.854304 0.674265 0.047624 P\n0.832826 0.637713 0.452081 P\n0.355011 0.551815 0.169564 P\n0.651326 0.452498 0.820002 P\n0.180804 0.355381 0.551605 P\n0.153824 0.329981 0.953420 P\n0.546340 0.165868 0.343191 P\n0.955188 0.149873 0.326910 P\n0.675210 0.049219 0.852348 P\n0.382499 0.962659 0.594165 O\n0.098564 0.944963 0.774686 O\n0.670003 0.888205 0.878028 O\n0.888086 0.878825 0.670596 O\n0.308323 0.911077 0.294743 O\n0.109434 0.888514 0.527106 O\n0.215888 0.909571 0.054421 O\n0.467327 0.883739 0.094416 O\n0.605536 0.824736 0.620728 O\n0.410740 0.809839 0.800431 O\n0.806849 0.788308 0.411578 O\n0.934176 0.794541 0.089704 O\n0.878155 0.669993 0.888016 O\n0.400850 0.709643 0.562256 O\n0.082529 0.699309 0.700836 O\n0.699535 0.686960 0.084543 O\n0.835118 0.618789 0.613774 O\n0.621681 0.611696 0.827984 O\n0.973512 0.589343 0.393346 O\n0.400884 0.618175 0.032528 O\n0.440407 0.595678 0.283951 O\n0.722593 0.546557 0.408683 O\n0.199458 0.587566 0.190577 O\n0.910869 0.540213 0.112829 O\n0.114890 0.470131 0.890458 O\n0.808056 0.421255 0.824423 O\n0.589838 0.408791 0.692326 O\n0.296383 0.440803 0.588138 O\n0.588313 0.384305 0.951507 O\n0.043495 0.407787 0.616929 O\n0.376805 0.391966 0.164124 O\n0.172511 0.376847 0.389776 O\n0.922446 0.305900 0.299233 O\n0.310665 0.297269 0.928357 O\n0.602231 0.270985 0.431083 O\n0.125558 0.330395 0.113091 O\n0.066666 0.220229 0.904488 O\n0.569125 0.208251 0.186611 O\n0.195669 0.202179 0.589761 O\n0.387609 0.170289 0.378274 O\n0.541949 0.110015 0.921609 O\n0.801828 0.092647 0.917594 O\n0.889795 0.114404 0.465904 O\n0.668183 0.086540 0.700302 O\n0.117476 0.122047 0.335612 O\n0.915066 0.064139 0.213166 O\n0.335913 0.111153 0.123371 O\n0.605325 0.023173 0.369050 O\n",
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},
{
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"created_at": "2022-09-04T14:44:02.181316Z",
"structure_string": "Na4 In4 Si2 S12\n1.0\n3.967800 6.123247 0.000000\n-3.967800 6.123247 0.000000\n0.000000 3.892127 11.752927\nNa In Si S\n4 4 2 12\ndirect\n0.902150 0.534628 0.341136 Na\n0.534628 0.902150 0.841136 Na\n0.070252 0.929555 0.503083 Na\n0.929555 0.070252 0.003083 Na\n0.617756 0.451176 0.693911 In\n0.451176 0.617756 0.193911 In\n0.292312 0.410334 0.997088 In\n0.410334 0.292312 0.497088 In\n0.071365 0.509747 0.748766 Si\n0.509747 0.071365 0.248766 Si\n0.737461 0.294629 0.521482 S\n0.294629 0.737461 0.021482 S\n0.613705 0.215739 0.879637 S\n0.215739 0.613705 0.379637 S\n0.251173 0.698044 0.700292 S\n0.698044 0.251173 0.200292 S\n0.213599 0.220011 0.695323 S\n0.220011 0.213599 0.195323 S\n0.804788 0.690099 0.670167 S\n0.690099 0.804788 0.170167 S\n0.974148 0.465408 0.929814 S\n0.465408 0.974148 0.429814 S\n",
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]
}