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{
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"results": [
{
"id": "mp-1650854",
"created_at": "2022-09-04T14:40:33.239023Z",
"structure_string": "Li14 Mn10 O24\n1.0\n4.820304 -0.130735 4.956615\n1.504274 7.371926 2.059345\n-5.129527 -0.068249 7.100572\nLi Mn O\n14 10 24\ndirect\n0.243905 0.000375 0.250923 Li\n0.756070 0.999604 0.749083 Li\n0.278354 0.155164 0.788628 Li\n0.795339 0.168944 0.296891 Li\n0.721668 0.844871 0.211409 Li\n0.204683 0.831006 0.703059 Li\n0.553013 0.158987 0.036040 Li\n0.049853 0.160460 0.531091 Li\n0.446947 0.840967 0.963910 Li\n0.950170 0.839438 0.469010 Li\n0.393334 0.504447 0.873262 Li\n0.877787 0.496781 0.371201 Li\n0.606550 0.495476 0.126655 Li\n0.122261 0.503201 0.628862 Li\n0.499917 0.000075 0.500056 Mn\n0.999986 0.000056 0.999987 Mn\n0.582622 0.330436 0.583508 Mn\n0.081130 0.327407 0.086576 Mn\n0.417511 0.669559 0.416442 Mn\n0.918846 0.672504 0.913422 Mn\n0.828023 0.331392 0.831828 Mn\n0.325630 0.326178 0.331981 Mn\n0.171936 0.668739 0.168140 Mn\n0.674349 0.673839 0.668134 Mn\n0.511542 0.089999 0.284683 O\n0.008959 0.094685 0.786063 O\n0.488491 0.910073 0.715366 O\n0.991089 0.905300 0.213852 O\n0.234008 0.085606 0.018741 O\n0.734897 0.086783 0.520198 O\n0.765986 0.914421 0.981240 O\n0.265211 0.913248 0.479803 O\n0.595902 0.427741 0.365908 O\n0.068561 0.413439 0.865331 O\n0.404119 0.572232 0.634071 O\n0.931412 0.586588 0.134712 O\n0.345916 0.425167 0.112814 O\n0.851121 0.424830 0.620504 O\n0.654067 0.574777 0.887142 O\n0.148868 0.575188 0.379483 O\n0.187933 0.761929 0.952674 O\n0.684729 0.764436 0.448180 O\n0.812093 0.238018 0.047271 O\n0.315233 0.235705 0.551869 O\n0.409426 0.736300 0.194805 O\n0.943422 0.746519 0.700212 O\n0.590552 0.263664 0.805150 O\n0.056580 0.253448 0.299832 O\n",
"nsites": 48,
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"elements": [
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"Mn",
"O"
],
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"density": 3.8655221652135383,
"density_atomic": 0.10842649858171989,
"volume": 442.69621013190715,
"volume_molar": 5.55412269027684,
"formula_full": "Li14 Mn10 O24",
"formula_reduced": "Li7Mn5O12",
"formula_anonymous": "A5B7C12",
"energy": -339.77233601,
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"updated_at": "2021-11-28T01:35:04.791000Z",
"spacegroup": 2
},
{
"id": "mp-1184553",
"created_at": "2022-09-04T14:40:33.253675Z",
"structure_string": "Hf3 Pt1\n1.0\n4.305355 0.000000 0.000000\n0.000000 4.305355 0.000000\n0.000000 0.000000 4.305355\nHf Pt\n3 1\ndirect\n0.000000 0.500000 0.500000 Hf\n0.500000 0.000000 0.500000 Hf\n0.500000 0.500000 0.000000 Hf\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
"Hf",
"Pt"
],
"chemical_system": "Hf-Pt",
"density": 15.201082596935656,
"density_atomic": 0.050122542144601594,
"volume": 79.80441192428259,
"volume_molar": 12.014835046926304,
"formula_full": "Hf3 Pt1",
"formula_reduced": "Hf3Pt",
"formula_anonymous": "AB3",
"energy": -37.56695057,
"energy_per_atom": -9.3917376425,
"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -37.56695057,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.418000Z",
"spacegroup": 221
},
{
"id": "mp-1096648",
"created_at": "2022-09-04T14:40:33.264213Z",
"structure_string": "La1 Hg2 Pb1\n1.0\n-6.086811 6.302004 8.944352\n6.086811 -6.302004 8.944352\n6.086811 6.302004 -8.944352\nLa Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.258627 0.258627 Hg\n0.000000 0.741373 0.741373 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
"La",
"Hg",
"Pb"
],
"chemical_system": "Hg-La-Pb",
"density": 0.9041870248690226,
"density_atomic": 0.0029146246020325265,
"volume": 1372.3894312875086,
"volume_molar": 206.61805831874312,
"formula_full": "La1 Hg2 Pb1",
"formula_reduced": "LaHg2Pb",
"formula_anonymous": "ABC2",
"energy": -3.93725539,
"energy_per_atom": -0.9843138475,
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"energy_uncorrected": -3.93725539,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:34:55.415000Z",
"spacegroup": 71
},
{
"id": "mp-1219644",
"created_at": "2022-09-04T14:40:33.265931Z",
"structure_string": "Ru12 W18\n1.0\n0.000000 0.000000 4.981148\n9.637569 -0.028050 0.000000\n-0.028050 9.637569 0.000000\nRu W\n12 18\ndirect\n0.508140 0.500000 0.500000 Ru\n0.001004 0.000000 0.000000 Ru\n0.498286 0.433696 0.235676 Ru\n0.498286 0.566304 0.764324 Ru\n0.000932 0.067858 0.736318 Ru\n0.000932 0.932142 0.263682 Ru\n0.498286 0.235676 0.433696 Ru\n0.498286 0.764324 0.566304 Ru\n0.000932 0.736318 0.067858 Ru\n0.000932 0.263682 0.932142 Ru\n0.250324 0.317726 0.682274 Ru\n0.250324 0.682274 0.317726 Ru\n0.498339 0.102345 0.897655 W\n0.498339 0.897655 0.102345 W\n0.999046 0.397089 0.397089 W\n0.999046 0.602911 0.602911 W\n0.498525 0.370372 0.960390 W\n0.498525 0.629628 0.039610 W\n0.001443 0.131768 0.464603 W\n0.001443 0.868232 0.535397 W\n0.498525 0.960390 0.370372 W\n0.498525 0.039610 0.629628 W\n0.001443 0.464603 0.131768 W\n0.001443 0.535397 0.868232 W\n0.748880 0.180895 0.180895 W\n0.748880 0.819105 0.819105 W\n0.749772 0.680679 0.319321 W\n0.749772 0.319321 0.680679 W\n0.250694 0.817824 0.817824 W\n0.250694 0.182176 0.182176 W\n",
"nsites": 30,
"nelements": 2,
"elements": [
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"W"
],
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"density": 16.22987018977951,
"density_atomic": 0.06484260995220424,
"volume": 462.6587366257022,
"volume_molar": 9.28732011934582,
"formula_full": "Ru12 W18",
"formula_reduced": "Ru2W3",
"formula_anonymous": "A2B3",
"energy": -343.17553574,
"energy_per_atom": -11.439184524666667,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:52.133000Z",
"spacegroup": 35
},
{
"id": "mp-796795",
"created_at": "2022-09-04T14:40:33.270954Z",
"structure_string": "Li2 Mn5 Si4 O14\n1.0\n7.656145 0.000000 0.000000\n-3.253453 7.423182 0.000000\n-1.329750 -0.947205 5.316555\nLi Mn Si O\n2 5 4 14\ndirect\n0.460196 0.228881 0.101490 Li\n0.539804 0.771119 0.898510 Li\n0.000000 0.000000 0.000000 Mn\n0.820412 0.091698 0.380229 Mn\n0.704119 0.630899 0.580849 Mn\n0.295881 0.369101 0.419151 Mn\n0.179588 0.908302 0.619771 Mn\n0.859730 0.506122 0.216935 Si\n0.389689 0.792842 0.208243 Si\n0.610311 0.207158 0.791757 Si\n0.140270 0.493878 0.783065 Si\n0.568687 0.884261 0.176720 O\n0.969016 0.796200 0.325086 O\n0.267629 0.529915 0.023134 O\n0.724631 0.424259 0.314548 O\n0.272777 0.027631 0.188571 O\n0.433380 0.699187 0.406545 O\n0.002679 0.303526 0.237750 O\n0.997321 0.696474 0.762250 O\n0.566620 0.300813 0.593455 O\n0.727223 0.972369 0.811429 O\n0.275369 0.575741 0.685452 O\n0.732371 0.470085 0.976866 O\n0.030984 0.203800 0.674914 O\n0.431313 0.115739 0.823280 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 3.434259440530786,
"density_atomic": 0.08273884214626402,
"volume": 302.1555457085744,
"volume_molar": 7.278492910686595,
"formula_full": "Li2 Mn5 Si4 O14",
"formula_reduced": "Li2Mn5(Si2O7)2",
"formula_anonymous": "A2B4C5D14",
"energy": -158.72223615,
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"updated_at": "2021-11-28T01:35:06.596000Z",
"spacegroup": 2
},
{
"id": "mp-1365412",
"created_at": "2022-09-04T14:40:33.244133Z",
"structure_string": "Zn8 Cr16 O32\n1.0\n3.011752 5.198615 0.000000\n-3.011752 5.198615 0.000000\n0.000000 4.322131 19.769752\nZn Cr O\n8 16 32\ndirect\n0.654601 0.654601 0.030386 Zn\n0.122671 0.122671 0.124880 Zn\n0.902355 0.902355 0.281070 Zn\n0.372923 0.372923 0.374253 Zn\n0.625837 0.625837 0.624187 Zn\n0.500043 0.500043 0.498900 Zn\n0.877119 0.877119 0.874591 Zn\n0.749397 0.749397 0.750744 Zn\n0.627839 0.123865 0.125071 Cr\n0.250058 0.250058 0.250798 Cr\n0.123865 0.627839 0.125071 Cr\n0.154329 0.154329 0.531281 Cr\n0.875070 0.373237 0.373846 Cr\n0.596665 0.596665 0.219559 Cr\n0.408004 0.408004 0.780443 Cr\n0.373237 0.875070 0.373846 Cr\n0.124849 0.624875 0.624537 Cr\n0.844403 0.844403 0.466895 Cr\n0.624875 0.124849 0.624537 Cr\n0.876283 0.377990 0.876333 Cr\n0.377990 0.876283 0.876333 Cr\n0.094233 0.094233 0.718653 Cr\n0.000251 0.000251 0.002048 Cr\n0.347201 0.347201 0.971311 Cr\n0.282410 0.821942 0.062658 O\n0.931190 0.931190 0.179734 O\n0.821942 0.282410 0.062658 O\n0.824078 0.824078 0.067273 O\n0.427300 0.427300 0.181933 O\n0.527631 0.076194 0.312483 O\n0.431218 0.959799 0.188508 O\n0.170006 0.170006 0.432872 O\n0.076194 0.527631 0.312483 O\n0.319039 0.319039 0.069359 O\n0.074074 0.074074 0.315813 O\n0.959799 0.431218 0.188508 O\n0.794961 0.319904 0.563786 O\n0.685505 0.685505 0.427255 O\n0.678346 0.202652 0.434523 O\n0.424700 0.424700 0.681901 O\n0.319904 0.794961 0.563786 O\n0.573433 0.573433 0.317133 O\n0.314109 0.314109 0.570935 O\n0.202652 0.678346 0.434523 O\n0.936130 0.936130 0.678726 O\n0.051109 0.565360 0.814190 O\n0.929294 0.453894 0.686161 O\n0.687188 0.687188 0.928880 O\n0.565360 0.051109 0.814190 O\n0.825830 0.825830 0.566853 O\n0.564382 0.564382 0.822962 O\n0.453894 0.929294 0.686161 O\n0.177022 0.177022 0.934021 O\n0.183705 0.711446 0.940140 O\n0.071998 0.071998 0.819879 O\n0.711446 0.183705 0.940140 O\n",
"nsites": 56,
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"elements": [
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"Cr",
"O"
],
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"density": 5.008407108396264,
"density_atomic": 0.0904586176981158,
"volume": 619.067607100594,
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"formula_full": "Zn8 Cr16 O32",
"formula_reduced": "ZnCr2O4",
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"energy": -438.67881435,
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"spacegroup": 8
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{
"id": "mp-780129",
"created_at": "2022-09-04T14:40:33.247524Z",
"structure_string": "Fe10 O5 F15\n1.0\n3.366996 -3.477893 0.000000\n3.366996 3.477893 0.000000\n0.000000 0.000000 15.613065\nFe O F\n10 5 15\ndirect\n0.978280 0.978280 0.899912 Fe\n0.978280 0.978280 0.100088 Fe\n0.022461 0.022461 0.299810 Fe\n0.011625 0.011625 0.500000 Fe\n0.022461 0.022461 0.700190 Fe\n0.524749 0.524749 0.000000 Fe\n0.475294 0.475294 0.399679 Fe\n0.500213 0.500213 0.199659 Fe\n0.475294 0.475294 0.600321 Fe\n0.500213 0.500213 0.800341 Fe\n0.320188 0.320188 0.296931 O\n0.310805 0.310805 0.500000 O\n0.320188 0.320188 0.703069 O\n0.680238 0.680238 0.897518 O\n0.680238 0.680238 0.102482 O\n0.785386 0.204658 0.000000 F\n0.792430 0.208242 0.199874 F\n0.793019 0.212153 0.399749 F\n0.793019 0.212153 0.600251 F\n0.792430 0.208242 0.800126 F\n0.295959 0.295959 0.902190 F\n0.295959 0.295959 0.097810 F\n0.704226 0.704226 0.302155 F\n0.697366 0.697366 0.500000 F\n0.704226 0.704226 0.697845 F\n0.204658 0.785386 0.000000 F\n0.212153 0.793019 0.399749 F\n0.208242 0.792430 0.199874 F\n0.208242 0.792430 0.800126 F\n0.212153 0.793019 0.600251 F\n",
"nsites": 30,
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"volume": 365.65960042019526,
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"formula_full": "Fe10 O5 F15",
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"spacegroup": 38
},
{
"id": "mp-20241",
"created_at": "2022-09-04T14:40:33.250917Z",
"structure_string": "Mg4 P6 Rh7\n1.0\n-3.958611 3.958611 3.958611\n3.958611 -3.958611 3.958611\n3.958611 3.958611 -3.958611\nMg P Rh\n4 6 7\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.318903 0.000000 0.318903 P\n0.681097 0.000000 0.681097 P\n0.000000 0.681097 0.681097 P\n0.000000 0.318903 0.318903 P\n0.681097 0.681097 0.000000 P\n0.318903 0.318903 0.000000 P\n0.000000 0.000000 0.000000 Rh\n0.250000 0.750000 0.500000 Rh\n0.250000 0.500000 0.750000 Rh\n0.500000 0.750000 0.250000 Rh\n0.500000 0.250000 0.750000 Rh\n0.750000 0.250000 0.500000 Rh\n0.750000 0.500000 0.250000 Rh\n",
"nsites": 17,
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"elements": [
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"P",
"Rh"
],
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"density": 6.714832526009633,
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"volume": 248.1352547618146,
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"formula_full": "Mg4 P6 Rh7",
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"formula_anonymous": "A4B6C7",
"energy": -103.35608218,
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"spacegroup": 229
},
{
"id": "mp-932458",
"created_at": "2022-09-04T14:40:33.250915Z",
"structure_string": "Sm4 In21 Pd10\n1.0\n4.530761 0.000000 0.000000\n-2.265381 11.678251 0.000000\n-2.265381 -1.796170 14.359798\nSm In Pd\n4 21 10\ndirect\n0.086375 0.135128 0.675061 Sm\n0.707374 0.411947 0.165790 Sm\n0.285111 0.588053 0.834210 Sm\n0.896564 0.864872 0.324939 Sm\n0.672028 0.788443 0.867416 In\n0.316223 0.220118 0.132388 In\n0.402449 0.976748 0.203999 In\n0.236740 0.832459 0.702386 In\n0.888341 0.707910 0.504712 In\n0.303525 0.900307 0.495783 In\n0.060885 0.564420 0.299514 In\n0.771585 0.167541 0.297614 In\n0.579373 0.434384 0.404336 In\n0.699615 0.099693 0.504217 In\n0.924819 0.435580 0.700486 In\n0.495235 0.000000 0.000000 In\n0.452573 0.293551 0.794047 In\n0.695124 0.603387 0.002116 In\n0.575819 0.034480 0.798348 In\n0.100962 0.292090 0.495288 In\n0.292757 0.407382 0.000457 In\n0.540170 0.706449 0.205953 In\n0.922791 0.181071 0.949453 In\n0.417652 0.577075 0.594234 In\n0.058751 0.827552 0.053063 In\n0.822355 0.678839 0.689824 Pd\n0.256820 0.082859 0.385022 Pd\n0.734362 0.926346 0.615396 Pd\n0.523124 0.335171 0.606164 Pd\n0.128131 0.619840 0.113758 Pd\n0.909884 0.065939 0.111095 Pd\n0.859921 0.389748 0.887648 Pd\n0.456156 0.675792 0.394155 Pd\n0.086918 0.934061 0.888905 Pd\n0.191018 0.321161 0.310176 Pd\n",
"nsites": 35,
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],
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{
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"structure_string": "Sr28 Ca4 Fe28 Co4 O80\n1.0\n0.006285 -0.002447 11.073954\n11.431692 0.009055 0.006426\n-5.706682 15.752313 -5.543279\nSr Ca Fe Co O\n28 4 28 4 80\ndirect\n0.305597 0.064192 0.609325 Sr\n0.306058 0.563582 0.609514 Sr\n0.806901 0.064104 0.609613 Sr\n0.807880 0.565280 0.108451 Sr\n0.806731 0.563798 0.609448 Sr\n0.195854 0.434341 0.388974 Sr\n0.195024 0.438967 0.892900 Sr\n0.196533 0.935612 0.387804 Sr\n0.197250 0.936632 0.893250 Sr\n0.695833 0.435765 0.389594 Sr\n0.703179 0.439729 0.893332 Sr\n0.694775 0.935455 0.389627 Sr\n0.699639 0.934557 0.893603 Sr\n0.055913 0.293350 0.109984 Sr\n0.056631 0.296162 0.609433 Sr\n0.056527 0.796166 0.609172 Sr\n0.557695 0.291124 0.109532 Sr\n0.555051 0.295761 0.608912 Sr\n0.558759 0.796567 0.109163 Sr\n0.555497 0.795999 0.609082 Sr\n0.445633 0.202070 0.386529 Sr\n0.447747 0.204326 0.892528 Sr\n0.445517 0.703181 0.387088 Sr\n0.452089 0.708522 0.893846 Sr\n0.944659 0.202278 0.387801 Sr\n0.949723 0.206778 0.893018 Sr\n0.945146 0.703863 0.388762 Sr\n0.946729 0.706339 0.894029 Sr\n0.296460 0.065588 0.105491 Ca\n0.297051 0.567243 0.105305 Ca\n0.797702 0.064573 0.105254 Ca\n0.048504 0.786693 0.105901 Ca\n0.003136 0.999531 0.498171 Fe\n0.003416 0.499551 0.499137 Fe\n0.503530 0.000450 0.500028 Fe\n0.506066 0.502487 0.002957 Fe\n0.503894 0.500391 0.499911 Fe\n0.256657 0.251828 0.004797 Fe\n0.252585 0.248525 0.497786 Fe\n0.256413 0.754067 0.006454 Fe\n0.253321 0.749594 0.498924 Fe\n0.756110 0.248444 0.001436 Fe\n0.753137 0.249639 0.499414 Fe\n0.753769 0.750169 0.500581 Fe\n0.104605 0.085791 0.246426 Fe\n0.108591 0.091837 0.751538 Fe\n0.110557 0.592487 0.250461 Fe\n0.108893 0.592361 0.751775 Fe\n0.605088 0.089037 0.248786 Fe\n0.608908 0.091286 0.751279 Fe\n0.603484 0.589290 0.246582 Fe\n0.608283 0.590501 0.749705 Fe\n0.356720 0.408359 0.246474 Fe\n0.358909 0.410173 0.751471 Fe\n0.350350 0.907236 0.244303 Fe\n0.357742 0.908929 0.748566 Fe\n0.857219 0.406807 0.248571 Fe\n0.857668 0.409021 0.748397 Fe\n0.858402 0.912943 0.248537 Fe\n0.857742 0.908751 0.749445 Fe\n0.008076 0.002231 0.007461 Co\n0.008774 0.503054 0.006029 Co\n0.506667 0.002427 0.004750 Co\n0.759329 0.755698 0.006172 Co\n0.124290 0.122516 0.491818 O\n0.125691 0.121433 0.994171 O\n0.123315 0.621314 0.490493 O\n0.125401 0.622091 0.996727 O\n0.622451 0.121555 0.491212 O\n0.625517 0.121335 0.993265 O\n0.622941 0.622061 0.490793 O\n0.624973 0.621529 0.992641 O\n0.135651 0.386500 0.014134 O\n0.132216 0.376913 0.507114 O\n0.134722 0.881333 0.015652 O\n0.131727 0.877922 0.507106 O\n0.633968 0.375811 0.009079 O\n0.630972 0.377777 0.507292 O\n0.633095 0.887400 0.012457 O\n0.630321 0.877679 0.506325 O\n0.373951 0.119582 0.491483 O\n0.376830 0.118216 0.994666 O\n0.373510 0.618612 0.490180 O\n0.373848 0.620681 0.993956 O\n0.873441 0.119119 0.490763 O\n0.876908 0.117659 0.995086 O\n0.873374 0.619404 0.490536 O\n0.884206 0.614443 0.994785 O\n0.382475 0.383749 0.012805 O\n0.380847 0.378483 0.505334 O\n0.383236 0.886479 0.013684 O\n0.382183 0.880466 0.506739 O\n0.887283 0.382836 0.010499 O\n0.881663 0.379717 0.506858 O\n0.891736 0.889041 0.018277 O\n0.881101 0.879692 0.506218 O\n0.102479 0.105803 0.146615 O\n0.081088 0.094809 0.640256 O\n0.094265 0.609056 0.146810 O\n0.081369 0.594723 0.639939 O\n0.602390 0.102836 0.147178 O\n0.581581 0.094112 0.639698 O\n0.587297 0.596320 0.139473 O\n0.578685 0.592598 0.637446 O\n0.442259 0.406340 0.357611 O\n0.441710 0.404194 0.860830 O\n0.436184 0.907796 0.356551 O\n0.442156 0.896881 0.853426 O\n0.940654 0.404087 0.359658 O\n0.942526 0.397026 0.853491 O\n0.943639 0.909690 0.360157 O\n0.942697 0.896585 0.854567 O\n0.332337 0.285050 0.139697 O\n0.331767 0.296161 0.640041 O\n0.335297 0.784749 0.139550 O\n0.329102 0.794975 0.636486 O\n0.832375 0.287900 0.140106 O\n0.829769 0.294870 0.636734 O\n0.842175 0.793163 0.144291 O\n0.828592 0.795487 0.636691 O\n0.189274 0.198467 0.359575 O\n0.192254 0.205459 0.862407 O\n0.192196 0.705939 0.361942 O\n0.192155 0.704915 0.862462 O\n0.685654 0.203230 0.360986 O\n0.694324 0.204630 0.861805 O\n0.685730 0.703400 0.358018 O\n0.695319 0.704816 0.856905 O\n0.425256 0.057182 0.239537 O\n0.435308 0.062587 0.750080 O\n0.426163 0.558920 0.240176 O\n0.435485 0.561625 0.751012 O\n0.926715 0.063910 0.241672 O\n0.935237 0.061566 0.750416 O\n0.937057 0.556876 0.248839 O\n0.935576 0.562193 0.750517 O\n0.186342 0.439875 0.249569 O\n0.185271 0.439859 0.750508 O\n0.173735 0.928013 0.241205 O\n0.184958 0.940072 0.750584 O\n0.685092 0.440306 0.249402 O\n0.684301 0.438176 0.749322 O\n0.685300 0.938397 0.250629 O\n0.684732 0.939535 0.750390 O\n",
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],
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{
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{
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"structure_string": "Er1 Mn1 Ni4\n1.0\n0.000000 3.446167 3.446167\n3.446167 0.000000 3.446167\n3.446167 3.446167 0.000000\nEr Mn Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.250000 0.250000 0.250000 Mn\n0.624159 0.624159 0.127522 Ni\n0.624159 0.127522 0.624159 Ni\n0.127522 0.624159 0.624159 Ni\n0.624159 0.624159 0.624159 Ni\n",
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}