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{
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"results": [
{
"id": "mp-1042065",
"created_at": "2022-09-04T14:41:26.239009Z",
"structure_string": "V4 Zn4 P8 O28\n1.0\n-3.485740 6.255435 0.590711\n-5.396879 0.145995 7.072117\n5.719828 -0.043218 7.767134\nV Zn P O\n4 4 8 28\ndirect\n0.160344 0.377151 0.810800 V\n0.839640 0.623021 0.189169 V\n0.160393 0.876914 0.310819 V\n0.839596 0.123047 0.689191 V\n0.651710 0.836688 0.815185 Zn\n0.651731 0.336642 0.315194 Zn\n0.348289 0.663374 0.684784 Zn\n0.348248 0.163321 0.184786 Zn\n0.684823 0.603862 0.486978 P\n0.684710 0.103933 0.986945 P\n0.315265 0.896044 0.013075 P\n0.315213 0.396116 0.513008 P\n0.195724 0.095108 0.515916 P\n0.195792 0.595092 0.015989 P\n0.804246 0.404909 0.984043 P\n0.804232 0.904905 0.484063 P\n0.685410 0.054621 0.845760 O\n0.685572 0.554549 0.345806 O\n0.314500 0.445435 0.654191 O\n0.314567 0.945395 0.154244 O\n0.860137 0.459345 0.639337 O\n0.860017 0.959392 0.139302 O\n0.139913 0.040497 0.860724 O\n0.139918 0.540663 0.360657 O\n0.458829 0.677858 0.495056 O\n0.458736 0.177985 0.995017 O\n0.541215 0.822045 0.004956 O\n0.541195 0.322088 0.504935 O\n0.650773 0.583985 0.844424 O\n0.650743 0.083956 0.344448 O\n0.349234 0.916041 0.655536 O\n0.349227 0.415992 0.155570 O\n0.216088 0.089803 0.361534 O\n0.216225 0.589883 0.861594 O\n0.783838 0.410190 0.138422 O\n0.783867 0.910194 0.638452 O\n0.270512 0.227860 0.561448 O\n0.270655 0.727745 0.061669 O\n0.729444 0.272173 0.938476 O\n0.729444 0.772155 0.438530 O\n0.040708 0.833925 0.495963 O\n0.040703 0.333961 0.995945 O\n0.959301 0.666082 0.004021 O\n0.959267 0.166056 0.504036 O\n",
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"Zn",
"P",
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],
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"volume_molar": 6.9786199846763965,
"formula_full": "V4 Zn4 P8 O28",
"formula_reduced": "VZnP2O7",
"formula_anonymous": "ABC2D7",
"energy": -332.11958151,
"energy_per_atom": -7.548172307045454,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:28.144000Z",
"spacegroup": 2
},
{
"id": "mp-18497",
"created_at": "2022-09-04T14:41:02.759360Z",
"structure_string": "K4 Mo4 P8 O28\n1.0\n10.629122 0.000000 0.000000\n0.000000 7.562421 0.000000\n0.000000 2.495899 8.169741\nK Mo P O\n4 4 8 28\ndirect\n0.171871 0.179347 0.939225 K\n0.328129 0.179347 0.439225 K\n0.828129 0.820653 0.060775 K\n0.671871 0.820653 0.560775 K\n0.601026 0.234846 0.741162 Mo\n0.398974 0.765154 0.258838 Mo\n0.898974 0.234846 0.241162 Mo\n0.101026 0.765154 0.758838 Mo\n0.862521 0.440838 0.804834 P\n0.137479 0.559162 0.195166 P\n0.601397 0.128086 0.175726 P\n0.362521 0.559162 0.695166 P\n0.398603 0.871914 0.824274 P\n0.637479 0.440838 0.304834 P\n0.898603 0.128086 0.675726 P\n0.101397 0.871914 0.324274 P\n0.721675 0.458351 0.760534 O\n0.920086 0.634161 0.758975 O\n0.221675 0.541649 0.739466 O\n0.579914 0.634161 0.258975 O\n0.278325 0.541649 0.239466 O\n0.768229 0.071168 0.753534 O\n0.268229 0.928832 0.746466 O\n0.070588 0.663985 0.316226 O\n0.394057 0.677881 0.522565 O\n0.570588 0.336015 0.183774 O\n0.894057 0.322119 0.977435 O\n0.420086 0.365839 0.741025 O\n0.096937 0.868184 0.501159 O\n0.929412 0.336015 0.683774 O\n0.731771 0.071168 0.253534 O\n0.403063 0.868184 0.001159 O\n0.500731 0.003855 0.282720 O\n0.499269 0.996145 0.717280 O\n0.605943 0.322119 0.477435 O\n0.231771 0.928832 0.246466 O\n0.999269 0.003855 0.782720 O\n0.778325 0.458351 0.260534 O\n0.000731 0.996145 0.217280 O\n0.079914 0.365839 0.241025 O\n0.429412 0.663985 0.816226 O\n0.596937 0.131816 0.998841 O\n0.105943 0.677881 0.022565 O\n0.903063 0.131816 0.498841 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"K",
"Mo",
"P",
"O"
],
"chemical_system": "K-Mo-O-P",
"density": 3.1251812421658576,
"density_atomic": 0.06700174985834162,
"volume": 656.6992667061227,
"volume_molar": 8.988035047938755,
"formula_full": "K4 Mo4 P8 O28",
"formula_reduced": "KMoP2O7",
"formula_anonymous": "ABC2D7",
"energy": -344.07642255,
"energy_per_atom": -7.819918694318182,
"energy_above_hull": null,
"is_stable": null,
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"updated_at": "2021-11-28T01:35:10.968000Z",
"spacegroup": 14
},
{
"id": "mp-36028",
"created_at": "2022-09-04T14:47:04.691201Z",
"structure_string": "Co4 Sn2 O8\n1.0\n-3.043619 3.152567 4.392038\n3.043619 -3.152567 4.392038\n3.043619 3.152567 -4.392038\nCo Sn O\n4 2 8\ndirect\n0.111806 0.861806 0.250000 Co\n0.888194 0.138194 0.750000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.748258 0.265026 0.016768 O\n0.748258 0.731490 0.483232 O\n0.746636 0.264741 0.481895 O\n0.282846 0.264741 0.018105 O\n0.717154 0.735259 0.981895 O\n0.253364 0.735259 0.518105 O\n0.251742 0.268510 0.516768 O\n0.251742 0.734974 0.983232 O\n",
"nsites": 14,
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"elements": [
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"Sn",
"O"
],
"chemical_system": "Co-O-Sn",
"density": 5.921746302098108,
"density_atomic": 0.08305147378852615,
"volume": 168.5701572936343,
"volume_molar": 7.251094393982903,
"formula_full": "Co4 Sn2 O8",
"formula_reduced": "Co2SnO4",
"formula_anonymous": "AB2C4",
"energy": -99.06833303,
"energy_per_atom": -7.076309502142857,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.509000Z",
"spacegroup": 74
},
{
"id": "mp-754982",
"created_at": "2022-09-04T14:40:54.230765Z",
"structure_string": "Na8 Co4 O12\n1.0\n2.806081 -5.221287 0.000000\n2.806081 5.221287 0.000000\n0.000000 0.000000 11.295243\nNa Co O\n8 4 12\ndirect\n0.963675 0.036325 0.144950 Na\n0.633640 0.366360 0.078547 Na\n0.866360 0.133640 0.578547 Na\n0.536325 0.463675 0.644950 Na\n0.463675 0.536325 0.355050 Na\n0.133640 0.866360 0.421453 Na\n0.036325 0.963675 0.855050 Na\n0.366360 0.633640 0.921453 Na\n0.754809 0.245191 0.341095 Co\n0.745191 0.254809 0.841095 Co\n0.254809 0.745191 0.158905 Co\n0.245191 0.754809 0.658905 Co\n0.443267 0.056733 0.250000 O\n0.662534 0.337466 0.471322 O\n0.920850 0.079150 0.361063 O\n0.837466 0.162534 0.971322 O\n0.579150 0.420850 0.861063 O\n0.943267 0.556733 0.250000 O\n0.056733 0.443267 0.750000 O\n0.162534 0.837466 0.028678 O\n0.079150 0.920850 0.638937 O\n0.420850 0.579150 0.138937 O\n0.337466 0.662534 0.528678 O\n0.556733 0.943267 0.750000 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 3.0686282958461746,
"density_atomic": 0.07251166851390499,
"volume": 330.98121298088336,
"volume_molar": 8.305064389526745,
"formula_full": "Na8 Co4 O12",
"formula_reduced": "Na2CoO3",
"formula_anonymous": "AB2C3",
"energy": -131.74083018,
"energy_per_atom": -5.4892012574999995,
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"updated_at": "2021-11-28T01:35:01.094000Z",
"spacegroup": 64
},
{
"id": "mp-761247",
"created_at": "2022-09-04T14:41:25.465438Z",
"structure_string": "Li8 Co4 Si4 O16\n1.0\n5.030782 0.000000 0.000000\n0.000000 6.303298 0.000000\n0.000000 0.000000 10.822773\nLi Co Si O\n8 4 4 16\ndirect\n0.694753 0.867536 0.091700 Li\n0.191196 0.115659 0.171437 Li\n0.691196 0.615659 0.328563 Li\n0.194753 0.367536 0.408300 Li\n0.805247 0.867536 0.591700 Li\n0.308804 0.115659 0.671437 Li\n0.808804 0.615659 0.828563 Li\n0.305247 0.367536 0.908300 Li\n0.195257 0.861168 0.412355 Co\n0.304743 0.861168 0.912355 Co\n0.695257 0.361168 0.087645 Co\n0.804743 0.361168 0.587645 Co\n0.184429 0.614924 0.163622 Si\n0.684429 0.114924 0.336378 Si\n0.315571 0.614924 0.663622 Si\n0.815571 0.114924 0.836378 Si\n0.292409 0.832509 0.094574 O\n0.288775 0.397828 0.092441 O\n0.855411 0.614658 0.161224 O\n0.794671 0.115367 0.191243 O\n0.294671 0.615367 0.308757 O\n0.355411 0.114658 0.338776 O\n0.788775 0.897828 0.407559 O\n0.792409 0.332509 0.405426 O\n0.207591 0.832509 0.594574 O\n0.211225 0.397828 0.592441 O\n0.644589 0.614658 0.661224 O\n0.705329 0.115367 0.691243 O\n0.205329 0.615367 0.808757 O\n0.144589 0.114658 0.838776 O\n0.711225 0.897828 0.907559 O\n0.707591 0.332509 0.905426 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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],
"chemical_system": "Co-Li-O-Si",
"density": 3.191415620834802,
"density_atomic": 0.09324125079144908,
"volume": 343.19573931471365,
"volume_molar": 6.458665782454599,
"formula_full": "Li8 Co4 Si4 O16",
"formula_reduced": "Li2CoSiO4",
"formula_anonymous": "ABC2D4",
"energy": -224.83053737,
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"updated_at": "2021-11-28T01:35:17.320000Z",
"spacegroup": 33
},
{
"id": "mp-766379",
"created_at": "2022-09-04T14:44:14.789099Z",
"structure_string": "Li8 V4 Si6 O20\n1.0\n2.799985 4.588795 0.000000\n-2.799985 4.588795 0.000000\n0.000000 2.804937 16.838217\nLi V Si O\n8 4 6 20\ndirect\n0.829456 0.675511 0.947892 Li\n0.580132 0.792676 0.768848 Li\n0.675511 0.829456 0.447892 Li\n0.792676 0.580132 0.268848 Li\n0.207324 0.419868 0.731152 Li\n0.324489 0.170544 0.552108 Li\n0.419868 0.207324 0.231152 Li\n0.170544 0.324489 0.052108 Li\n0.202753 0.996184 0.916532 V\n0.996184 0.202753 0.416532 V\n0.003816 0.797247 0.583468 V\n0.797247 0.003816 0.083468 V\n0.660191 0.463900 0.599518 Si\n0.888788 0.111212 0.750000 Si\n0.536100 0.339809 0.900482 Si\n0.463900 0.660191 0.099518 Si\n0.111212 0.888788 0.250000 Si\n0.339809 0.536100 0.400482 Si\n0.923712 0.837322 0.711538 O\n0.837322 0.923712 0.211538 O\n0.610959 0.781886 0.566671 O\n0.573162 0.629468 0.884978 O\n0.795888 0.399976 0.687245 O\n0.772073 0.096675 0.956158 O\n0.903325 0.227927 0.543842 O\n0.781886 0.610959 0.066671 O\n0.629468 0.573162 0.384978 O\n0.600024 0.204112 0.812755 O\n0.399976 0.795888 0.187245 O\n0.370532 0.426838 0.615022 O\n0.218114 0.389041 0.933329 O\n0.096675 0.772073 0.456158 O\n0.227927 0.903325 0.043842 O\n0.204112 0.600024 0.312755 O\n0.426838 0.370532 0.115022 O\n0.389041 0.218114 0.433329 O\n0.162678 0.076288 0.788462 O\n0.076288 0.162678 0.288462 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
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"V",
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],
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"density_atomic": 0.08782196247129342,
"volume": 432.69358746590467,
"volume_molar": 6.8572149728132885,
"formula_full": "Li8 V4 Si6 O20",
"formula_reduced": "Li4V2Si3O10",
"formula_anonymous": "A2B3C4D10",
"energy": -286.97107656000003,
"energy_per_atom": -7.551870435789475,
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"updated_at": "2021-11-28T01:36:34.560000Z",
"spacegroup": 15
},
{
"id": "mp-1662637",
"created_at": "2022-09-04T14:44:07.620162Z",
"structure_string": "Li8 Co4 Sn4 P8 O32\n1.0\n0.000013 6.316292 -0.036571\n-0.078803 -0.056539 9.687678\n11.258975 0.028263 -4.943633\nLi Co Sn P O\n8 4 4 8 32\ndirect\n0.994645 0.002392 0.995007 Li\n0.999551 0.501313 0.999992 Li\n0.500026 0.001636 0.999808 Li\n0.498400 0.499255 0.002143 Li\n0.999632 0.499774 0.500014 Li\n0.000038 0.999860 0.499965 Li\n0.501023 0.500090 0.500634 Li\n0.499944 0.999816 0.499810 Li\n0.250905 0.112939 0.292642 Co\n0.748342 0.886206 0.706952 Co\n0.251649 0.614003 0.293290 Co\n0.749609 0.383283 0.708540 Co\n0.752843 0.351966 0.224248 Sn\n0.752668 0.852207 0.223937 Sn\n0.246662 0.647475 0.775701 Sn\n0.247696 0.147903 0.775236 Sn\n0.251290 0.233128 0.120518 P\n0.248877 0.733106 0.121750 P\n0.749205 0.766124 0.878919 P\n0.750732 0.266598 0.879413 P\n0.749549 0.671521 0.424904 P\n0.751059 0.172059 0.425590 P\n0.250082 0.329435 0.574864 P\n0.249796 0.828145 0.574772 P\n0.744018 0.379889 0.011957 O\n0.740822 0.879784 0.011506 O\n0.259288 0.620836 0.988865 O\n0.254263 0.120538 0.987441 O\n0.251869 0.400213 0.140048 O\n0.242214 0.900075 0.142106 O\n0.753565 0.599205 0.860065 O\n0.755464 0.099872 0.860720 O\n0.752937 0.326415 0.416621 O\n0.751274 0.825857 0.415562 O\n0.247865 0.673731 0.583570 O\n0.247961 0.175398 0.585064 O\n0.255512 0.317523 0.445089 O\n0.255235 0.819495 0.445693 O\n0.744258 0.681611 0.554134 O\n0.746383 0.180829 0.555019 O\n0.054380 0.187899 0.178520 O\n0.051837 0.681460 0.175694 O\n0.445706 0.191607 0.181283 O\n0.442751 0.697499 0.186431 O\n0.556228 0.803342 0.814655 O\n0.556858 0.304740 0.816281 O\n0.946442 0.814988 0.823268 O\n0.947413 0.314003 0.822259 O\n0.552049 0.569506 0.359581 O\n0.553140 0.071114 0.360235 O\n0.950257 0.574487 0.363607 O\n0.951196 0.074566 0.364121 O\n0.050088 0.427824 0.635566 O\n0.049100 0.925283 0.636316 O\n0.447820 0.430739 0.639686 O\n0.447583 0.929441 0.640390 O\n",
"nsites": 56,
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"elements": [
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"P",
"O"
],
"chemical_system": "Co-Li-O-P-Sn",
"density": 3.6910928194063217,
"density_atomic": 0.08157853173000491,
"volume": 686.4551103388267,
"volume_molar": 7.382016606931689,
"formula_full": "Li8 Co4 Sn4 P8 O32",
"formula_reduced": "Li2CoSn(PO4)2",
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"energy": -393.4629176,
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"updated_at": "2021-11-28T01:36:34.609000Z",
"spacegroup": 1
},
{
"id": "mp-1174091",
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{
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{
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"structure_string": "Ca2 Mn4 O10\n1.0\n3.801611 0.000000 0.000000\n-1.900805 5.423830 0.000000\n0.000000 0.000000 11.394144\nCa Mn O\n2 4 10\ndirect\n0.905038 0.810075 0.750000 Ca\n0.094963 0.189926 0.250000 Ca\n0.211407 0.422815 0.596147 Mn\n0.788594 0.577186 0.403852 Mn\n0.788594 0.577186 0.096148 Mn\n0.211407 0.422815 0.903853 Mn\n0.718126 0.436252 0.250000 O\n0.281875 0.563749 0.750000 O\n0.243809 0.487616 0.075188 O\n0.756193 0.512385 0.924812 O\n0.756193 0.512385 0.575188 O\n0.243809 0.487616 0.424811 O\n0.055771 0.111540 0.620004 O\n0.944229 0.888459 0.379996 O\n0.055771 0.111540 0.879996 O\n0.944229 0.888459 0.120005 O\n",
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{
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"structure_string": "Ni6 Mo4 Se2 O22\n1.0\n6.549928 0.000000 0.000000\n0.592426 6.525939 0.000000\n0.643546 2.742898 9.768716\nNi Mo Se O\n6 4 2 22\ndirect\n0.271455 0.813684 0.386154 Ni\n0.536641 0.804769 0.126553 Ni\n0.167920 0.177977 0.129630 Ni\n0.463359 0.195231 0.873447 Ni\n0.728545 0.186316 0.613846 Ni\n0.832080 0.822023 0.870370 Ni\n0.287605 0.213356 0.500624 Mo\n0.610315 0.208333 0.233612 Mo\n0.712395 0.786644 0.499376 Mo\n0.389685 0.791667 0.766388 Mo\n0.968593 0.355436 0.819704 Se\n0.031407 0.644564 0.180296 Se\n0.297076 0.491380 0.443130 O\n0.488432 0.137434 0.086603 O\n0.873078 0.169980 0.195070 O\n0.282225 0.147901 0.325434 O\n0.029829 0.181159 0.556461 O\n0.853137 0.808173 0.070610 O\n0.970171 0.818841 0.443539 O\n0.414913 0.156034 0.676209 O\n0.625060 0.149945 0.435734 O\n0.126922 0.830020 0.804930 O\n0.146863 0.191827 0.929390 O\n0.702924 0.508620 0.556870 O\n0.434430 0.513877 0.809001 O\n0.717775 0.852099 0.674566 O\n0.585087 0.843966 0.323791 O\n0.217274 0.833930 0.184785 O\n0.782726 0.166070 0.815215 O\n0.374940 0.850055 0.564266 O\n0.511568 0.862566 0.913397 O\n0.831841 0.495351 0.915194 O\n0.168159 0.504649 0.084806 O\n0.565570 0.486123 0.190999 O\n",
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"structure_string": "Li12 Cr4 P8 O32\n1.0\n10.151174 0.000000 0.000000\n0.000000 8.196550 0.000000\n0.000000 2.728612 8.056978\nLi Cr P O\n12 4 8 32\ndirect\n0.336259 0.614702 0.650705 Li\n0.343224 0.821621 0.902916 Li\n0.649248 0.637944 0.071749 Li\n0.836259 0.385298 0.349295 Li\n0.843224 0.178379 0.097084 Li\n0.155722 0.603083 0.158411 Li\n0.149248 0.362056 0.928251 Li\n0.843092 0.653506 0.586573 Li\n0.343092 0.346494 0.413427 Li\n0.580523 0.458324 0.517286 Li\n0.080523 0.541676 0.482714 Li\n0.655722 0.396917 0.841589 Li\n0.130591 0.119200 0.642059 Cr\n0.353292 0.125927 0.120549 Cr\n0.853292 0.874073 0.879451 Cr\n0.630591 0.880800 0.357941 Cr\n0.404362 0.211638 0.795743 P\n0.589434 0.287915 0.221170 P\n0.089434 0.712085 0.778830 P\n0.090650 0.213081 0.306895 P\n0.916712 0.280247 0.724252 P\n0.590650 0.786919 0.693105 P\n0.904362 0.788362 0.204257 P\n0.416712 0.719753 0.275748 P\n0.105794 0.041133 0.451568 O\n0.317139 0.192611 0.652286 O\n0.676596 0.797635 0.841538 O\n0.332904 0.693520 0.138897 O\n0.646395 0.349199 0.358264 O\n0.894179 0.425140 0.557065 O\n0.910799 0.966314 0.059169 O\n0.655903 0.116782 0.210031 O\n0.111018 0.580550 0.950610 O\n0.611018 0.419450 0.049390 O\n0.937470 0.749247 0.743608 O\n0.155903 0.883218 0.789969 O\n0.817139 0.807389 0.347714 O\n0.437470 0.250753 0.256392 O\n0.605794 0.958867 0.548432 O\n0.069335 0.276938 0.763808 O\n0.836604 0.677421 0.106965 O\n0.901630 0.097777 0.699040 O\n0.949983 0.257984 0.246271 O\n0.394179 0.574860 0.442935 O\n0.647537 0.647843 0.618407 O\n0.176596 0.202365 0.158462 O\n0.147537 0.352157 0.381593 O\n0.037435 0.715758 0.271920 O\n0.569335 0.723062 0.236192 O\n0.336604 0.322579 0.893035 O\n0.410799 0.033686 0.940831 O\n0.449983 0.742016 0.753729 O\n0.832904 0.306480 0.861103 O\n0.537435 0.284242 0.728080 O\n0.401630 0.902223 0.300960 O\n0.146395 0.650801 0.641736 O\n",
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}