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{
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"results": [
{
"id": "mp-774557",
"created_at": "2022-09-04T14:43:24.549454Z",
"structure_string": "Er8 Te4 O24\n1.0\n5.282196 0.000000 0.000000\n0.000000 9.074492 0.000000\n0.000000 0.000000 9.958830\nEr Te O\n8 4 24\ndirect\n0.024892 0.396877 0.039206 Er\n0.035985 0.282080 0.634702 Er\n0.464015 0.717920 0.134702 Er\n0.475108 0.603123 0.539206 Er\n0.524892 0.103123 0.960794 Er\n0.535985 0.217920 0.365298 Er\n0.964015 0.782080 0.865298 Er\n0.975108 0.896877 0.460794 Er\n0.040725 0.005357 0.147229 Te\n0.459275 0.994643 0.647229 Te\n0.540725 0.494643 0.852771 Te\n0.959275 0.505357 0.352771 Te\n0.082100 0.656143 0.475058 O\n0.176155 0.548976 0.203013 O\n0.187759 0.858160 0.262981 O\n0.179531 0.857062 0.678907 O\n0.228543 0.384318 0.435867 O\n0.248105 0.086538 0.505180 O\n0.251895 0.913462 0.005180 O\n0.271457 0.615682 0.935867 O\n0.320469 0.142938 0.178907 O\n0.312241 0.141840 0.762981 O\n0.323845 0.451024 0.703013 O\n0.417900 0.343857 0.975058 O\n0.582100 0.843857 0.524942 O\n0.676155 0.951024 0.796987 O\n0.687759 0.641840 0.737019 O\n0.679531 0.642938 0.321093 O\n0.728543 0.115682 0.564133 O\n0.748105 0.413462 0.494820 O\n0.751895 0.586538 0.994820 O\n0.771457 0.884318 0.064133 O\n0.820469 0.357062 0.821093 O\n0.812241 0.358160 0.237019 O\n0.823845 0.048976 0.296987 O\n0.917900 0.156143 0.024942 O\n",
"nsites": 36,
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"elements": [
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"Te",
"O"
],
"chemical_system": "Er-O-Te",
"density": 7.765817205150468,
"density_atomic": 0.07541493268728919,
"volume": 477.35904173348973,
"volume_molar": 7.985342617716083,
"formula_full": "Er8 Te4 O24",
"formula_reduced": "Er2TeO6",
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"energy": -277.23032875,
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"updated_at": "2021-11-28T01:36:16.995000Z",
"spacegroup": 19
},
{
"id": "mp-1237047",
"created_at": "2022-09-04T14:43:24.549555Z",
"structure_string": "Mg3 H6 Se1 O3\n1.0\n-0.498750 -0.009400 -7.954865\n-4.424759 -5.090192 -0.077647\n-1.756424 3.757684 -0.342086\nMg H Se O\n3 6 1 3\ndirect\n0.393405 0.906621 0.830297 Mg\n0.181343 0.460442 0.585638 Mg\n0.890315 0.996745 0.860666 Mg\n0.662754 0.798733 0.914335 H\n0.724849 0.433770 0.754933 H\n0.970789 0.746616 0.030282 H\n0.736409 0.019734 0.417372 H\n0.372380 0.618580 0.684777 H\n0.767431 0.507477 0.904666 H\n0.178710 0.215291 0.926374 Se\n0.008109 0.704587 0.775973 O\n0.859543 0.023926 0.400697 O\n0.625691 0.939207 0.913988 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
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"H",
"Se",
"O"
],
"chemical_system": "H-Mg-O-Se",
"density": 1.6895582296032219,
"density_atomic": 0.06423431805019897,
"volume": 202.38402764454554,
"volume_molar": 9.375270015778343,
"formula_full": "Mg3 H6 Se1 O3",
"formula_reduced": "Mg3H6SeO3",
"formula_anonymous": "AB3C3D6",
"energy": -59.5622675,
"energy_per_atom": -4.581712884615384,
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"updated_at": "2021-11-28T01:36:16.840000Z",
"spacegroup": 1
},
{
"id": "mp-556884",
"created_at": "2022-09-04T14:43:24.557613Z",
"structure_string": "Ca12 Si24 N24 O24\n1.0\n13.772312 0.000000 0.000000\n0.000000 7.385489 0.000000\n0.000000 2.179756 10.348385\nCa Si N O\n12 24 24 24\ndirect\n0.869964 0.745224 0.642724 Ca\n0.369964 0.254776 0.357276 Ca\n0.936481 0.918127 0.948363 Ca\n0.424852 0.411670 0.701527 Ca\n0.878686 0.411557 0.951039 Ca\n0.436481 0.081873 0.051637 Ca\n0.867071 0.080904 0.304617 Ca\n0.924852 0.588330 0.298473 Ca\n0.933057 0.256728 0.615410 Ca\n0.378686 0.588443 0.048961 Ca\n0.433057 0.743272 0.384590 Ca\n0.367071 0.919096 0.695383 Ca\n0.097047 0.623519 0.080119 Si\n0.100040 0.618101 0.583026 Si\n0.706094 0.048450 0.560553 Si\n0.594898 0.710901 0.699480 Si\n0.597699 0.047684 0.307962 Si\n0.204032 0.620203 0.329690 Si\n0.710694 0.046566 0.055586 Si\n0.704032 0.379797 0.670310 Si\n0.103937 0.287544 0.803065 Si\n0.592872 0.047365 0.808265 Si\n0.704579 0.712518 0.944383 Si\n0.097699 0.952316 0.692038 Si\n0.206094 0.951550 0.439447 Si\n0.204579 0.287482 0.055617 Si\n0.603937 0.712456 0.196935 Si\n0.092872 0.952635 0.191735 Si\n0.208054 0.621980 0.833412 Si\n0.204571 0.288593 0.548051 Si\n0.597047 0.376481 0.919881 Si\n0.094898 0.289099 0.300520 Si\n0.600040 0.381899 0.416974 Si\n0.704571 0.711407 0.451949 Si\n0.708054 0.378020 0.166588 Si\n0.210694 0.953434 0.944414 Si\n0.676736 0.145596 0.690170 N\n0.692732 0.807948 0.083139 N\n0.682365 0.139775 0.189943 N\n0.126641 0.521027 0.744890 N\n0.626641 0.478973 0.255110 N\n0.182365 0.860225 0.810057 N\n0.122012 0.860889 0.057400 N\n0.683452 0.477548 0.507634 N\n0.616617 0.807447 0.337501 N\n0.622012 0.139111 0.942600 N\n0.176736 0.854404 0.309830 N\n0.192732 0.192052 0.916861 N\n0.187010 0.192218 0.409860 N\n0.687010 0.807782 0.590140 N\n0.183452 0.522452 0.492366 N\n0.684686 0.474897 0.003316 N\n0.116617 0.192553 0.662499 N\n0.611091 0.808215 0.836085 N\n0.184686 0.525103 0.996684 N\n0.115213 0.526060 0.243848 N\n0.626548 0.146264 0.437409 N\n0.126548 0.853736 0.562591 N\n0.111091 0.191785 0.163915 N\n0.615213 0.473940 0.756152 N\n0.487930 0.426619 0.450203 O\n0.483362 0.080542 0.270082 O\n0.988118 0.265418 0.368296 O\n0.492871 0.756782 0.147892 O\n0.812316 0.736847 0.878801 O\n0.488118 0.734582 0.631704 O\n0.484425 0.397769 0.958220 O\n0.479857 0.102109 0.774247 O\n0.992871 0.243218 0.852108 O\n0.322212 0.896071 0.981950 O\n0.984425 0.602231 0.041780 O\n0.822212 0.103929 0.018050 O\n0.987930 0.573381 0.549797 O\n0.822417 0.397525 0.198255 O\n0.312316 0.263153 0.121199 O\n0.983362 0.919458 0.729918 O\n0.814867 0.758691 0.401525 O\n0.814506 0.424582 0.710645 O\n0.314867 0.241309 0.598475 O\n0.322417 0.602475 0.801745 O\n0.979857 0.897891 0.225753 O\n0.314506 0.575418 0.289355 O\n0.321587 0.921261 0.473779 O\n0.821587 0.078739 0.526221 O\n",
"nsites": 84,
"nelements": 4,
"elements": [
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"Si",
"N",
"O"
],
"chemical_system": "Ca-N-O-Si",
"density": 2.958167848344397,
"density_atomic": 0.0798032539518116,
"volume": 1052.588658235948,
"volume_molar": 7.546234597948111,
"formula_full": "Ca12 Si24 N24 O24",
"formula_reduced": "CaSi2(NO)2",
"formula_anonymous": "AB2C2D2",
"energy": -674.8727488999999,
"energy_per_atom": -8.034199391666666,
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"energy_uncorrected": -649.7207489,
"band_gap": 4.3692,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:15.248000Z",
"spacegroup": 4
},
{
"id": "mp-540796",
"created_at": "2022-09-04T14:43:24.558332Z",
"structure_string": "Cs8 Sn8 O12\n1.0\n6.215340 0.000000 0.000000\n0.000000 9.177998 0.000000\n0.000000 0.000000 13.960715\nCs Sn O\n8 8 12\ndirect\n0.250000 0.534364 0.368133 Cs\n0.750000 0.465636 0.631867 Cs\n0.750000 0.034364 0.131867 Cs\n0.250000 0.965636 0.868133 Cs\n0.250000 0.335805 0.096919 Cs\n0.750000 0.664195 0.903081 Cs\n0.750000 0.835805 0.403081 Cs\n0.250000 0.164195 0.596919 Cs\n0.250000 0.782985 0.135154 Sn\n0.750000 0.217015 0.864846 Sn\n0.750000 0.282985 0.364846 Sn\n0.250000 0.717015 0.635154 Sn\n0.250000 0.083850 0.303063 Sn\n0.750000 0.916150 0.696937 Sn\n0.750000 0.583850 0.196937 Sn\n0.250000 0.416150 0.803063 Sn\n0.002537 0.232454 0.272055 O\n0.502537 0.767546 0.727945 O\n0.997463 0.732454 0.227945 O\n0.497463 0.267546 0.772055 O\n0.997463 0.767546 0.727945 O\n0.497463 0.232454 0.272055 O\n0.002537 0.267546 0.772055 O\n0.502537 0.732454 0.227945 O\n0.250000 0.006424 0.161366 O\n0.750000 0.993576 0.838634 O\n0.750000 0.506424 0.338634 O\n0.250000 0.493576 0.661366 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Cs",
"Sn",
"O"
],
"chemical_system": "Cs-O-Sn",
"density": 4.59748919416529,
"density_atomic": 0.03515908144541479,
"volume": 796.3803048572412,
"volume_molar": 17.12826533693578,
"formula_full": "Cs8 Sn8 O12",
"formula_reduced": "Cs2Sn2O3",
"formula_anonymous": "A2B2C3",
"energy": -146.85904724,
"energy_per_atom": -5.244965972857143,
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"spacegroup": 62
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{
"id": "mp-6241",
"created_at": "2022-09-04T14:43:24.563909Z",
"structure_string": "Li4 Ga4 Si8 O24\n1.0\n8.726479 0.000000 0.000000\n0.000000 5.314799 0.000000\n0.000000 1.902192 9.086511\nLi Ga Si O\n4 4 8 24\ndirect\n0.006606 0.988976 0.247118 Li\n0.506606 0.511024 0.752882 Li\n0.993394 0.011024 0.752882 Li\n0.493394 0.488976 0.247118 Li\n0.647432 0.986792 0.250356 Ga\n0.852568 0.486792 0.250356 Ga\n0.352568 0.013208 0.749644 Ga\n0.147432 0.513208 0.749644 Ga\n0.660029 0.777074 0.952275 Si\n0.660144 0.202879 0.547969 Si\n0.160144 0.297121 0.452031 Si\n0.339856 0.797121 0.452031 Si\n0.839856 0.702879 0.547969 Si\n0.160029 0.722926 0.047725 Si\n0.839971 0.277074 0.952275 Si\n0.339971 0.222926 0.047725 Si\n0.989891 0.698248 0.116176 O\n0.167558 0.790227 0.865051 O\n0.667558 0.709773 0.134949 O\n0.832442 0.209773 0.134949 O\n0.332442 0.290227 0.865051 O\n0.665898 0.266558 0.364749 O\n0.165898 0.233442 0.635251 O\n0.334102 0.733442 0.635251 O\n0.834102 0.766558 0.364749 O\n0.264721 0.466202 0.107935 O\n0.489891 0.801752 0.883824 O\n0.010109 0.301752 0.883824 O\n0.726278 0.910225 0.603942 O\n0.226278 0.589775 0.396058 O\n0.273722 0.089775 0.396058 O\n0.773722 0.410225 0.603942 O\n0.735279 0.533798 0.892065 O\n0.764721 0.033798 0.892065 O\n0.495179 0.229488 0.622243 O\n0.235279 0.966202 0.107935 O\n0.004821 0.729488 0.622243 O\n0.504821 0.770512 0.377757 O\n0.995179 0.270512 0.377757 O\n0.510109 0.198248 0.116176 O\n",
"nsites": 40,
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"density_atomic": 0.09491545678238764,
"volume": 421.4276721199148,
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"formula_full": "Li4 Ga4 Si8 O24",
"formula_reduced": "LiGa(SiO3)2",
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"energy": -297.47619264,
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"spacegroup": 14
},
{
"id": "mp-1183513",
"created_at": "2022-09-04T14:43:24.566635Z",
"structure_string": "Be2 H16 S2 O16\n1.0\n-4.099603 4.099603 5.118547\n4.099603 -4.099603 5.118547\n4.099603 4.099603 -5.118547\nBe H S O\n2 16 2 16\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.668473 0.014521 0.910357 H\n0.104164 0.758116 0.089643 H\n0.485479 0.831527 0.089643 H\n0.741884 0.395836 0.910357 H\n0.168473 0.258116 0.653952 H\n0.604164 0.514521 0.346048 H\n0.241884 0.331527 0.346048 H\n0.985479 0.895836 0.653952 H\n0.837819 0.113911 0.187604 H\n0.926307 0.650214 0.812396 H\n0.386089 0.662181 0.812396 H\n0.849786 0.573693 0.187604 H\n0.337819 0.150214 0.723907 H\n0.426307 0.613911 0.276093 H\n0.349786 0.162181 0.276093 H\n0.886089 0.073693 0.723907 H\n0.250000 0.750000 0.500000 S\n0.750000 0.250000 0.500000 S\n0.815039 0.054082 0.031163 O\n0.022919 0.783876 0.968837 O\n0.445918 0.684961 0.968837 O\n0.716124 0.477081 0.031163 O\n0.315039 0.283876 0.760957 O\n0.522919 0.554082 0.239043 O\n0.216124 0.184961 0.239043 O\n0.945918 0.977081 0.760957 O\n0.413602 0.958991 0.707488 O\n0.251504 0.706114 0.292512 O\n0.541009 0.086398 0.292512 O\n0.793886 0.248496 0.707488 O\n0.913602 0.206114 0.454611 O\n0.751504 0.458991 0.545389 O\n0.293886 0.586398 0.545389 O\n0.041009 0.748496 0.454611 O\n",
"nsites": 36,
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"elements": [
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],
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"density": 1.7096034869622312,
"density_atomic": 0.10461939625596792,
"volume": 344.1044518353012,
"volume_molar": 5.756237347485622,
"formula_full": "Be2 H16 S2 O16",
"formula_reduced": "BeH8SO8",
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"energy": -208.04398773,
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"updated_at": "2021-11-28T01:36:14.495000Z",
"spacegroup": 120
},
{
"id": "mp-755092",
"created_at": "2022-09-04T14:43:24.567501Z",
"structure_string": "Li6 Mn4 V2 O12\n1.0\n-0.000001 -1.509367 2.467822\n12.944924 -4.737164 -2.897378\n3.402961 4.043121 2.472844\nLi Mn V O\n6 4 2 12\ndirect\n0.999999 0.666667 0.166668 Li\n0.500002 0.166667 0.166670 Li\n0.000000 0.011672 0.489952 Li\n0.500000 0.511659 0.489984 Li\n0.000002 0.321660 0.843388 Li\n0.500001 0.821674 0.843351 Li\n0.499998 0.503527 0.001479 Mn\n0.499995 0.829806 0.331849 Mn\n0.000002 0.003532 0.001499 Mn\n0.000002 0.329801 0.331838 Mn\n0.500007 0.166667 0.666650 V\n0.999994 0.666668 0.666656 V\n0.000003 0.510216 0.767478 O\n0.500004 0.010207 0.767461 O\n0.999996 0.823117 0.565856 O\n0.499998 0.323126 0.565877 O\n0.000000 0.834994 0.101258 O\n0.500001 0.335013 0.101263 O\n0.999999 0.498340 0.232077 O\n0.500000 0.998320 0.232077 O\n0.999999 0.163387 0.428789 O\n0.499995 0.663389 0.428825 O\n0.000004 0.169946 0.904548 O\n0.500001 0.669944 0.904508 O\n",
"nsites": 24,
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"elements": [
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"V",
"O"
],
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"density": 3.971962266564341,
"density_atomic": 0.103385572092214,
"volume": 232.14070894334634,
"volume_molar": 5.824933439095927,
"formula_full": "Li6 Mn4 V2 O12",
"formula_reduced": "Li3Mn2VO6",
"formula_anonymous": "AB2C3D6",
"energy": -179.70444409,
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},
{
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{
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{
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"structure_string": "Ca2 Zn2 H20 Br8 O10\n1.0\n7.349001 -0.598028 -4.091932\n-3.863030 9.545980 2.881162\n-0.600936 1.890549 12.387939\nCa Zn H Br O\n2 2 20 8 10\ndirect\n0.062992 0.878343 0.755192 Ca\n0.937008 0.121657 0.244808 Ca\n0.852378 0.969547 0.821342 Zn\n0.147622 0.030453 0.178658 Zn\n0.667395 0.705167 0.788851 H\n0.332605 0.294833 0.211149 H\n0.723656 0.422498 0.008019 H\n0.276344 0.577502 0.991981 H\n0.802497 0.658067 0.562961 H\n0.197503 0.341933 0.437039 H\n0.965457 0.800024 0.519749 H\n0.034543 0.199976 0.480251 H\n0.506217 0.006645 0.773757 H\n0.493783 0.993355 0.226243 H\n0.327440 0.990954 0.628843 H\n0.672560 0.009046 0.371157 H\n0.212284 0.600594 0.710900 H\n0.787716 0.399406 0.289100 H\n0.344210 0.657885 0.339718 H\n0.655790 0.342115 0.660282 H\n0.231266 0.121404 0.880644 H\n0.768734 0.878596 0.119356 H\n0.239954 0.972385 0.061203 H\n0.760046 0.027615 0.938797 H\n0.714459 0.312030 0.964966 Br\n0.285541 0.687970 0.035034 Br\n0.832971 0.080806 0.581424 Br\n0.167029 0.919194 0.418576 Br\n0.679765 0.403209 0.541705 Br\n0.320235 0.596791 0.458295 Br\n0.289613 0.494751 0.817264 Br\n0.710387 0.505249 0.182736 Br\n0.808219 0.770238 0.820982 O\n0.191781 0.229762 0.179018 O\n0.906060 0.754377 0.583976 O\n0.093940 0.245623 0.416024 O\n0.346634 0.980397 0.716064 O\n0.653366 0.019603 0.283936 O\n0.281174 0.953586 0.155409 O\n0.718826 0.046414 0.844592 O\n0.150648 0.015627 0.893126 O\n0.849352 0.984373 0.106874 O\n",
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{
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"structure_string": "Lu1 Sb1 Rh2\n1.0\n0.000000 3.296300 3.296300\n3.296300 0.000000 3.296300\n3.296300 3.296300 0.000000\nLu Sb Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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{
"id": "mp-710380",
"created_at": "2022-09-04T14:43:23.702236Z",
"structure_string": "Al8 Si16 H8 C48 N8 Cl24\n1.0\n9.520081 0.000000 0.000000\n0.000000 16.672593 0.000000\n0.000000 0.000000 17.840705\nAl Si H C N Cl\n8 16 8 48 8 24\ndirect\n0.029338 0.903772 0.865596 Al\n0.470662 0.096228 0.365596 Al\n0.529338 0.596228 0.134404 Al\n0.970662 0.403772 0.634404 Al\n0.970662 0.096228 0.134404 Al\n0.529338 0.903772 0.634404 Al\n0.470662 0.403772 0.865596 Al\n0.029338 0.596228 0.365596 Al\n0.162059 0.815892 0.117955 Si\n0.337941 0.184108 0.617955 Si\n0.662059 0.684108 0.882045 Si\n0.837941 0.315892 0.382045 Si\n0.837941 0.184108 0.882045 Si\n0.662059 0.815892 0.382045 Si\n0.337941 0.315892 0.117955 Si\n0.162059 0.684108 0.617955 Si\n0.359288 0.932597 0.902559 Si\n0.140712 0.067403 0.402559 Si\n0.859288 0.567403 0.097441 Si\n0.640712 0.432597 0.597441 Si\n0.640712 0.067403 0.097441 Si\n0.859288 0.932597 0.597441 Si\n0.140712 0.432597 0.902559 Si\n0.359288 0.567403 0.402559 Si\n0.166271 0.981902 0.959782 H\n0.333729 0.018098 0.459782 H\n0.666271 0.518098 0.040218 H\n0.833729 0.481902 0.540218 H\n0.833729 0.018098 0.040218 H\n0.666271 0.981902 0.540218 H\n0.333729 0.481902 0.959782 H\n0.166271 0.518098 0.459782 H\n0.004454 0.777054 0.179345 C\n0.495546 0.222946 0.679345 C\n0.504454 0.722946 0.820655 C\n0.995546 0.277054 0.320655 C\n0.995546 0.222946 0.820655 C\n0.504454 0.777054 0.320655 C\n0.495546 0.277054 0.179345 C\n0.004454 0.722946 0.679345 C\n0.016791 0.729623 0.116222 C\n0.483209 0.270377 0.616222 C\n0.516791 0.770377 0.883778 C\n0.983209 0.229623 0.383778 C\n0.983209 0.270377 0.883778 C\n0.516791 0.729623 0.383778 C\n0.483209 0.229623 0.116222 C\n0.016791 0.770377 0.616222 C\n0.485224 0.967078 0.977409 C\n0.014776 0.032922 0.477409 C\n0.985224 0.532922 0.022591 C\n0.514776 0.467078 0.522591 C\n0.514776 0.032922 0.022591 C\n0.985224 0.967078 0.522591 C\n0.014776 0.467078 0.977409 C\n0.485224 0.532922 0.477409 C\n0.474823 0.839559 0.914184 C\n0.025177 0.160441 0.414184 C\n0.974823 0.660441 0.085816 C\n0.525177 0.339559 0.585816 C\n0.525177 0.160441 0.085816 C\n0.974823 0.839559 0.585816 C\n0.025177 0.339559 0.914184 C\n0.474823 0.660441 0.414184 C\n0.067974 0.836000 0.214075 C\n0.432026 0.164000 0.714075 C\n0.567974 0.664000 0.785925 C\n0.932026 0.336000 0.285925 C\n0.932026 0.164000 0.785925 C\n0.567974 0.836000 0.285925 C\n0.432026 0.336000 0.214075 C\n0.067974 0.664000 0.714075 C\n0.521327 0.889036 0.972406 C\n0.978673 0.110964 0.472406 C\n0.021327 0.610964 0.027594 C\n0.478673 0.389036 0.527594 C\n0.478673 0.110964 0.027594 C\n0.021327 0.889036 0.527594 C\n0.978673 0.389036 0.972406 C\n0.521327 0.610964 0.472406 C\n0.187162 0.940145 0.918522 N\n0.312838 0.059855 0.418522 N\n0.687162 0.559855 0.081478 N\n0.812838 0.440145 0.581478 N\n0.812838 0.059855 0.081478 N\n0.687162 0.940145 0.581478 N\n0.312838 0.440145 0.918522 N\n0.187162 0.559855 0.418522 N\n0.849599 0.968032 0.909430 Cl\n0.650401 0.031968 0.409430 Cl\n0.349599 0.531968 0.090570 Cl\n0.150401 0.468032 0.590570 Cl\n0.150401 0.031968 0.090570 Cl\n0.349599 0.968032 0.590570 Cl\n0.650401 0.468032 0.909430 Cl\n0.849599 0.531968 0.409430 Cl\n0.004424 0.777292 0.885963 Cl\n0.495576 0.222708 0.385963 Cl\n0.504424 0.722708 0.114037 Cl\n0.995576 0.277292 0.614037 Cl\n0.995576 0.222708 0.114037 Cl\n0.504424 0.777292 0.614037 Cl\n0.495576 0.277292 0.885963 Cl\n0.004424 0.722708 0.385963 Cl\n0.062686 0.932157 0.748673 Cl\n0.437314 0.067843 0.248673 Cl\n0.562686 0.567843 0.251327 Cl\n0.937314 0.432157 0.751327 Cl\n0.937314 0.067843 0.251327 Cl\n0.562686 0.932157 0.751327 Cl\n0.437314 0.432157 0.748673 Cl\n0.062686 0.567843 0.248673 Cl\n",
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}