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{
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"results": [
{
"id": "mp-1233189",
"created_at": "2022-09-04T14:48:20.229746Z",
"structure_string": "Mg1 V1 Cr2 Fe3 P6 O24\n1.0\n8.996379 -0.063267 -0.042197\n4.522111 -7.481475 0.033240\n4.520938 -2.474766 -7.057128\nMg V Cr Fe P O\n1 1 2 3 6 24\ndirect\n0.123699 0.625742 0.630896 Mg\n0.569973 0.142690 0.143886 V\n0.002275 0.997488 0.996664 Cr\n0.526087 0.494487 0.491396 Cr\n0.758737 0.748857 0.743663 Fe\n0.413143 0.860066 0.863834 Fe\n0.959037 0.346909 0.348084 Fe\n0.256189 0.243971 0.542010 P\n0.277253 0.946781 0.249589 P\n0.264029 0.536190 0.955793 P\n0.764056 0.442078 0.046228 P\n0.750089 0.055451 0.743486 P\n0.772170 0.746656 0.436440 P\n0.096662 0.094669 0.329316 O\n0.088716 0.488694 0.098252 O\n0.087323 0.313481 0.492402 O\n0.229215 0.081410 0.739752 O\n0.440842 0.161111 0.387999 O\n0.286130 0.393984 0.552216 O\n0.256245 0.938690 0.088697 O\n0.312810 0.748314 0.400822 O\n0.590118 0.609974 0.995831 O\n0.308098 0.544126 0.756377 O\n0.774973 0.251887 0.058510 O\n0.581774 0.007079 0.794880 O\n0.449693 0.000365 0.173480 O\n0.231110 0.733642 0.951956 O\n0.749265 0.427787 0.236355 O\n0.437503 0.386361 0.014356 O\n0.742557 0.245716 0.580204 O\n0.750595 0.076409 0.909085 O\n0.766998 0.584966 0.418078 O\n0.593655 0.803295 0.607512 O\n0.777262 0.913712 0.244179 O\n0.936309 0.701584 0.484797 O\n0.932898 0.493551 0.876260 O\n0.923760 0.882139 0.694840 O\n",
"nsites": 37,
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"elements": [
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"Cr",
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"P",
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"chemical_system": "Cr-Fe-Mg-O-P-V",
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"volume": 472.7448507778858,
"volume_molar": 7.694421716080065,
"formula_full": "Mg1 V1 Cr2 Fe3 P6 O24",
"formula_reduced": "MgVCr2Fe3(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -296.95309118,
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"energy_uncorrected": -267.99909118,
"band_gap": 0.6347,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:53.165000Z",
"spacegroup": 1
},
{
"id": "mp-1234478",
"created_at": "2022-09-04T14:41:48.625171Z",
"structure_string": "Mg1 V1 Cr2 Fe3 P6 O24\n1.0\n8.503774 -0.024892 -0.171834\n4.236069 -7.665323 -0.045535\n4.369127 -2.534095 -7.123333\nMg V Cr Fe P O\n1 1 2 3 6 24\ndirect\n0.754769 0.370212 0.742591 Mg\n0.563215 0.142430 0.150058 V\n0.007534 0.985598 0.007886 Cr\n0.495323 0.504347 0.493192 Cr\n0.061317 0.654452 0.646714 Fe\n0.431544 0.860339 0.855084 Fe\n0.952936 0.340863 0.344354 Fe\n0.235766 0.253685 0.559996 P\n0.252552 0.945018 0.250960 P\n0.277276 0.539041 0.932621 P\n0.739503 0.469501 0.047194 P\n0.748031 0.045999 0.751921 P\n0.739615 0.762663 0.460828 P\n0.067648 0.082822 0.329091 O\n0.110742 0.476938 0.101303 O\n0.031994 0.322409 0.556344 O\n0.225462 0.093921 0.754385 O\n0.391621 0.199161 0.385932 O\n0.279273 0.411004 0.556888 O\n0.231510 0.918242 0.099147 O\n0.286837 0.745589 0.409235 O\n0.570504 0.621686 0.990657 O\n0.286900 0.556737 0.738378 O\n0.758906 0.281533 0.045405 O\n0.563157 0.006440 0.827034 O\n0.435702 0.993855 0.177806 O\n0.253208 0.732479 0.914797 O\n0.706624 0.448972 0.249071 O\n0.475256 0.392024 0.942039 O\n0.719897 0.250815 0.599741 O\n0.778220 0.079913 0.897752 O\n0.698904 0.589710 0.485702 O\n0.563545 0.856035 0.598412 O\n0.774262 0.902546 0.254255 O\n0.920653 0.685232 0.507412 O\n0.931072 0.505836 0.896825 O\n0.928719 0.893827 0.688989 O\n",
"nsites": 37,
"nelements": 6,
"elements": [
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"Cr",
"Fe",
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],
"chemical_system": "Cr-Fe-Mg-O-P-V",
"density": 3.318254772697353,
"density_atomic": 0.08066434551732461,
"volume": 458.69088458733427,
"volume_molar": 7.465678573821193,
"formula_full": "Mg1 V1 Cr2 Fe3 P6 O24",
"formula_reduced": "MgVCr2Fe3(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -297.84159803,
"energy_per_atom": -8.04977291972973,
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"energy_uncorrected": -268.88759803,
"band_gap": 0.6013000000000002,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.869000Z",
"spacegroup": 1
},
{
"id": "mp-1234372",
"created_at": "2022-09-04T14:48:20.145267Z",
"structure_string": "Mg1 V3 Co1 Sn2 P6 O24\n1.0\n9.201541 0.490381 0.105556\n4.156960 -7.542766 0.073474\n4.334646 -2.354970 -7.059996\nMg V Co Sn P O\n1 3 1 2 6 24\ndirect\n0.470555 0.975297 0.460684 Mg\n0.061672 0.649543 0.651716 V\n0.442645 0.841234 0.876097 V\n0.959158 0.334793 0.352631 V\n0.519891 0.213158 0.092489 Co\n0.929785 0.030743 0.016818 Sn\n0.549190 0.452207 0.500091 Sn\n0.243580 0.262524 0.538416 P\n0.247979 0.957627 0.262440 P\n0.246187 0.549540 0.949661 P\n0.748459 0.466403 0.040239 P\n0.752575 0.030332 0.746007 P\n0.767016 0.723236 0.475644 P\n0.079348 0.110500 0.294931 O\n0.101238 0.489155 0.128344 O\n0.078966 0.278129 0.522335 O\n0.298802 0.065685 0.678804 O\n0.404825 0.260222 0.353081 O\n0.218487 0.415890 0.600395 O\n0.292967 0.953599 0.068269 O\n0.223291 0.770417 0.414924 O\n0.587408 0.623958 0.030125 O\n0.191617 0.624587 0.774033 O\n0.729451 0.292070 0.039055 O\n0.592869 0.002820 0.761207 O\n0.396833 0.994091 0.269492 O\n0.278358 0.710707 0.947471 O\n0.769174 0.408953 0.232931 O\n0.411741 0.394803 0.910155 O\n0.767245 0.220180 0.584535 O\n0.725830 0.049670 0.931202 O\n0.781434 0.562699 0.430060 O\n0.589500 0.754692 0.635090 O\n0.740169 0.908390 0.308991 O\n0.923614 0.689162 0.516241 O\n0.916774 0.502948 0.881911 O\n0.918510 0.883168 0.700045 O\n",
"nsites": 37,
"nelements": 6,
"elements": [
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"V",
"Co",
"Sn",
"P",
"O"
],
"chemical_system": "Co-Mg-O-P-Sn-V",
"density": 3.406613207182382,
"density_atomic": 0.07275481176961864,
"volume": 508.5574287122363,
"volume_molar": 8.277309243915548,
"formula_full": "Mg1 V3 Co1 Sn2 P6 O24",
"formula_reduced": "MgV3CoSn2(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -288.64842824,
"energy_per_atom": -7.801308871351351,
"energy_above_hull": null,
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"energy_uncorrected": -265.42242824,
"band_gap": 0.8536999999999999,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:55.401000Z",
"spacegroup": 1
},
{
"id": "mp-1234391",
"created_at": "2022-09-04T14:46:22.514068Z",
"structure_string": "Mg1 V3 Co1 Sn2 P6 O24\n1.0\n9.175448 0.414712 0.201788\n4.201210 -7.341919 -0.003904\n4.274726 -2.420797 -7.040742\nMg V Co Sn P O\n1 3 1 2 6 24\ndirect\n0.653066 0.172034 0.427828 Mg\n0.061277 0.628473 0.664243 V\n0.442047 0.844403 0.853427 V\n0.949191 0.354612 0.340555 V\n0.524453 0.163671 0.139856 Co\n0.946272 0.012221 0.008421 Sn\n0.470401 0.634106 0.489555 Sn\n0.255723 0.246614 0.540088 P\n0.242552 0.958823 0.253585 P\n0.250692 0.539077 0.958696 P\n0.758143 0.455912 0.031601 P\n0.759026 0.026380 0.742868 P\n0.758687 0.740558 0.473424 P\n0.075669 0.121565 0.279124 O\n0.079647 0.508689 0.104646 O\n0.107182 0.284611 0.482186 O\n0.278739 0.058760 0.707312 O\n0.431852 0.246804 0.377790 O\n0.214725 0.411991 0.605391 O\n0.301928 0.958345 0.056300 O\n0.207316 0.766706 0.408237 O\n0.613951 0.638190 0.987227 O\n0.228553 0.623340 0.755796 O\n0.736579 0.285036 0.023930 O\n0.611578 0.007322 0.715148 O\n0.392532 0.960981 0.295149 O\n0.281131 0.693297 0.976300 O\n0.753636 0.388605 0.239930 O\n0.406088 0.362213 0.959800 O\n0.782727 0.215370 0.578374 O\n0.719474 0.027983 0.938504 O\n0.792330 0.615578 0.370380 O\n0.572828 0.750380 0.617023 O\n0.758373 0.949955 0.326693 O\n0.894657 0.661559 0.566735 O\n0.939885 0.473149 0.904496 O\n0.925662 0.861136 0.713445 O\n",
"nsites": 37,
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"elements": [
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],
"chemical_system": "Co-Mg-O-P-Sn-V",
"density": 3.530178747971322,
"density_atomic": 0.07539379280872113,
"volume": 490.7565811667197,
"volume_molar": 7.9875816504928405,
"formula_full": "Mg1 V3 Co1 Sn2 P6 O24",
"formula_reduced": "MgV3CoSn2(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -289.02055584,
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"updated_at": "2021-11-28T01:37:33.127000Z",
"spacegroup": 1
},
{
"id": "mp-1233845",
"created_at": "2022-09-04T14:46:00.801925Z",
"structure_string": "Mg1 V3 Co1 Sn2 P6 O24\n1.0\n9.749293 0.755919 0.514716\n4.190176 -7.259177 0.014573\n4.207029 -2.407889 -6.825312\nMg V Co Sn P O\n1 3 1 2 6 24\ndirect\n0.329114 0.550424 0.550153 Mg\n0.016640 0.663763 0.659360 V\n0.447459 0.851977 0.853433 V\n0.996665 0.340111 0.328475 V\n0.507654 0.170875 0.165907 Co\n0.892102 0.034102 0.035963 Sn\n0.640152 0.452078 0.455241 Sn\n0.249704 0.242919 0.545503 P\n0.253197 0.962420 0.248380 P\n0.256041 0.538514 0.956341 P\n0.744241 0.472018 0.030956 P\n0.743858 0.031928 0.752219 P\n0.742463 0.755366 0.473775 P\n0.109091 0.138426 0.222576 O\n0.103640 0.528601 0.131141 O\n0.108525 0.232952 0.516243 O\n0.305991 0.051257 0.703011 O\n0.387537 0.290374 0.364836 O\n0.185401 0.409569 0.618643 O\n0.327893 0.929092 0.054658 O\n0.193404 0.782368 0.406941 O\n0.595757 0.639388 0.020473 O\n0.198577 0.612126 0.777249 O\n0.707045 0.281094 0.099379 O\n0.596173 0.018445 0.744812 O\n0.382552 0.970054 0.296374 O\n0.321616 0.686548 0.936548 O\n0.803753 0.450053 0.194511 O\n0.383640 0.348919 0.969483 O\n0.803722 0.194519 0.551087 O\n0.705734 0.098239 0.913783 O\n0.797907 0.552934 0.457464 O\n0.593655 0.754313 0.645209 O\n0.703345 0.912977 0.284262 O\n0.885067 0.777460 0.483315 O\n0.884869 0.487072 0.852209 O\n0.888674 0.857042 0.770400 O\n",
"nsites": 37,
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"elements": [
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],
"chemical_system": "Co-Mg-O-P-Sn-V",
"density": 3.360257826222463,
"density_atomic": 0.07176480298049716,
"volume": 515.5730729178639,
"volume_molar": 8.391496262640866,
"formula_full": "Mg1 V3 Co1 Sn2 P6 O24",
"formula_reduced": "MgV3CoSn2(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -286.89958463,
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"updated_at": "2021-11-28T01:37:20.359000Z",
"spacegroup": 1
},
{
"id": "mp-1234654",
"created_at": "2022-09-04T14:41:35.346376Z",
"structure_string": "Mg1 V3 Co1 Sn2 P6 O24\n1.0\n9.701720 0.677352 0.480651\n4.231710 -7.375435 0.033528\n4.231893 -2.438421 -6.914355\nMg V Co Sn P O\n1 3 1 2 6 24\ndirect\n0.677037 0.443345 0.449171 Mg\n0.017296 0.661256 0.665025 V\n0.462705 0.846134 0.843512 V\n0.998475 0.330618 0.336209 V\n0.520867 0.160382 0.151817 Co\n0.912495 0.032040 0.029242 Sn\n0.365155 0.542503 0.538944 Sn\n0.262760 0.242526 0.530825 P\n0.261033 0.960372 0.243563 P\n0.263209 0.532636 0.958384 P\n0.754097 0.466466 0.035197 P\n0.756410 0.030669 0.750397 P\n0.758743 0.748085 0.464233 P\n0.107397 0.126461 0.246190 O\n0.116105 0.512959 0.131414 O\n0.111135 0.235543 0.519477 O\n0.318698 0.070441 0.692982 O\n0.394550 0.289857 0.345100 O\n0.196713 0.424984 0.589733 O\n0.313963 0.922528 0.065765 O\n0.199254 0.782234 0.423130 O\n0.609533 0.635946 0.015270 O\n0.198187 0.590468 0.781560 O\n0.725282 0.291482 0.053892 O\n0.615754 0.006833 0.740094 O\n0.393223 0.967936 0.288633 O\n0.318910 0.694438 0.914366 O\n0.806063 0.420122 0.206432 O\n0.398979 0.351476 0.957009 O\n0.807416 0.202405 0.575525 O\n0.721925 0.053376 0.936671 O\n0.816282 0.569613 0.417907 O\n0.611718 0.738351 0.633275 O\n0.727489 0.930403 0.289229 O\n0.908508 0.746317 0.493912 O\n0.909772 0.492153 0.862274 O\n0.912865 0.860708 0.745519 O\n",
"nsites": 37,
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"elements": [
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],
"chemical_system": "Co-Mg-O-P-Sn-V",
"density": 3.2967606118620982,
"density_atomic": 0.07040869719515487,
"volume": 525.5032613008799,
"volume_molar": 8.553120565926918,
"formula_full": "Mg1 V3 Co1 Sn2 P6 O24",
"formula_reduced": "MgV3CoSn2(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -286.71849348,
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"updated_at": "2021-11-28T01:35:26.252000Z",
"spacegroup": 1
},
{
"id": "mp-1234587",
"created_at": "2022-09-04T14:42:07.711608Z",
"structure_string": "Mg1 V3 Co1 Sn2 P6 O24\n1.0\n9.173919 0.405671 0.433378\n4.206630 -7.364670 0.018948\n4.100082 -2.509629 -6.952308\nMg V Co Sn P O\n1 3 1 2 6 24\ndirect\n0.203950 0.253673 0.922002 Mg\n0.056034 0.658490 0.641331 V\n0.458238 0.846892 0.843518 V\n0.957229 0.358794 0.346451 V\n0.519567 0.155555 0.169081 Co\n0.920669 0.013012 0.024079 Sn\n0.554746 0.485220 0.464267 Sn\n0.255893 0.250641 0.543013 P\n0.254700 0.957993 0.256420 P\n0.239221 0.545657 0.967002 P\n0.769162 0.454753 0.029909 P\n0.742314 0.045508 0.740058 P\n0.746459 0.745889 0.468603 P\n0.103119 0.148133 0.239637 O\n0.071626 0.545761 0.125644 O\n0.088578 0.290141 0.509212 O\n0.283653 0.056695 0.709788 O\n0.405198 0.273284 0.366450 O\n0.222830 0.395492 0.632370 O\n0.306569 0.964551 0.050795 O\n0.195838 0.779999 0.400030 O\n0.633580 0.647193 0.985843 O\n0.190811 0.629174 0.774971 O\n0.728781 0.297490 0.025445 O\n0.580051 0.043160 0.732943 O\n0.401294 0.951483 0.301955 O\n0.323146 0.666591 0.959132 O\n0.776824 0.393942 0.235992 O\n0.354588 0.337816 0.980695 O\n0.768823 0.243139 0.591883 O\n0.719233 0.031277 0.941785 O\n0.766856 0.597815 0.396735 O\n0.589078 0.751339 0.631826 O\n0.737055 0.942947 0.301393 O\n0.911026 0.675825 0.528966 O\n0.952725 0.456494 0.899912 O\n0.903393 0.889439 0.690556 O\n",
"nsites": 37,
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"elements": [
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],
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"density": 3.5315870053309215,
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"volume": 490.56088683265494,
"volume_molar": 7.984396518531565,
"formula_full": "Mg1 V3 Co1 Sn2 P6 O24",
"formula_reduced": "MgV3CoSn2(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -289.03567725,
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"updated_at": "2021-11-28T01:35:41.541000Z",
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{
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{
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{
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"structure_string": "Mg3 V6 Cd2 Cu3 Pb1 O24\n1.0\n-0.035183 0.018705 -7.095301\n-5.735843 -6.480546 2.480445\n-5.760870 6.489508 2.445625\nMg V Cd Cu Pb O\n3 6 2 3 1 24\ndirect\n0.130970 0.056977 0.380093 Mg\n0.622257 0.374405 0.054702 Mg\n0.879508 0.944852 0.628300 Mg\n0.874146 0.654499 0.875653 V\n0.628575 0.123967 0.345824 V\n0.129324 0.348126 0.123524 V\n0.367900 0.870381 0.656030 V\n0.748333 0.717457 0.280824 V\n0.252269 0.283432 0.722710 V\n0.250295 0.746222 0.253575 Cd\n0.749313 0.264304 0.734966 Cd\n0.250597 0.486623 0.512230 Cu\n0.750316 0.514615 0.485836 Cu\n0.358702 0.613144 0.936504 Cu\n0.747393 0.982115 0.006628 Pb\n0.107981 0.655993 0.001443 O\n0.389001 0.002693 0.346969 O\n0.884879 0.330785 0.002135 O\n0.612838 0.996329 0.671499 O\n0.687865 0.593847 0.969218 O\n0.824035 0.035453 0.404987 O\n0.324512 0.409059 0.028844 O\n0.175509 0.961953 0.598069 O\n0.755480 0.734282 0.478287 O\n0.740748 0.519696 0.266165 O\n0.241217 0.270712 0.523767 O\n0.266544 0.486801 0.731784 O\n0.881095 0.841429 0.829299 O\n0.617260 0.173717 0.162400 O\n0.108638 0.165636 0.179363 O\n0.391974 0.812477 0.840323 O\n0.966794 0.838214 0.245808 O\n0.532881 0.754150 0.160606 O\n0.026354 0.169758 0.748928 O\n0.474322 0.251576 0.832775 O\n0.811935 0.522430 0.706289 O\n0.689824 0.292824 0.475734 O\n0.193545 0.480588 0.290763 O\n0.304873 0.707201 0.518428 O\n",
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{
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"structure_string": "Mg1 Ti4 Mn1 Zn1 Ni1 O12\n1.0\n5.121593 0.000000 0.000000\n-2.556574 4.928930 0.000000\n-0.001429 -2.655998 8.473112\nMg Ti Mn Zn Ni O\n1 4 1 1 1 12\ndirect\n0.532463 0.884519 0.179989 Mg\n0.714723 0.864263 0.570720 Ti\n0.219680 0.360066 0.073967 Ti\n0.783426 0.635616 0.931299 Ti\n0.282503 0.140793 0.424074 Ti\n0.462453 0.106045 0.819574 Mn\n0.039867 0.401682 0.677665 Zn\n0.972837 0.619889 0.324670 Ni\n0.508801 0.457549 0.281365 O\n0.994226 0.952191 0.780868 O\n0.036536 0.262132 0.472236 O\n0.540528 0.756946 0.981301 O\n0.064687 0.625702 0.114116 O\n0.562414 0.125650 0.606331 O\n0.993090 0.040477 0.218403 O\n0.492536 0.546549 0.717771 O\n0.463811 0.236134 0.027586 O\n0.959101 0.735582 0.523016 O\n0.433688 0.870013 0.386632 O\n0.942630 0.378200 0.888420 O\n",
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]
}