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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=77",
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"results": [
{
"id": "mp-1047188",
"created_at": "2022-09-04T14:39:42.258775Z",
"structure_string": "Mg2 Sn1 W1 O6\n1.0\n5.241687 0.000000 0.000000\n2.182990 5.272226 0.000000\n2.257863 0.849559 5.181916\nMg Sn W O\n2 1 1 6\ndirect\n0.732816 0.943727 0.668284 Mg\n0.259093 0.351507 0.033384 Mg\n0.519041 0.530395 0.435856 Sn\n0.999777 0.941545 0.056747 W\n0.958436 0.161094 0.298045 O\n0.014776 0.696905 0.863638 O\n0.288351 0.089928 0.817984 O\n0.696222 0.165442 0.929066 O\n0.321770 0.632628 0.148377 O\n0.729384 0.802790 0.383795 O\n",
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{
"id": "mp-1227779",
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"structure_string": "Co2 H31 S2 N9 O11\n1.0\n0.054993 -0.037384 -7.054902\n2.487399 8.087853 -2.506718\n8.577687 0.038987 -3.455976\nCo H S N O\n2 31 2 9 11\ndirect\n0.535586 0.614570 0.332988 Co\n0.459867 0.377338 0.675213 Co\n0.831769 0.814467 0.194691 H\n0.184487 0.189009 0.798852 H\n0.414263 0.938265 0.319130 H\n0.583718 0.071814 0.685518 H\n0.868129 0.859812 0.421391 H\n0.126946 0.137846 0.581428 H\n0.788358 0.352114 0.240624 H\n0.223199 0.637329 0.745631 H\n0.548960 0.351305 0.247618 H\n0.470100 0.629907 0.730224 H\n0.927573 0.640581 0.143506 H\n0.089408 0.363383 0.847864 H\n0.441500 0.775067 0.057707 H\n0.556871 0.226492 0.941757 H\n0.768563 0.786073 0.049493 H\n0.239477 0.214615 0.949413 H\n0.698549 0.477822 0.086844 H\n0.313981 0.516269 0.899368 H\n0.304574 0.620136 0.163666 H\n0.688566 0.381934 0.825431 H\n0.219732 0.794951 0.214710 H\n0.770516 0.203863 0.782956 H\n0.963320 0.017969 0.297859 H\n0.034122 0.979541 0.706231 H\n0.500172 0.832323 0.479338 H\n0.496688 0.172286 0.525693 H\n0.260695 0.829553 0.489469 H\n0.727991 0.189238 0.517380 H\n0.265563 0.409584 0.479732 H\n0.172096 0.564426 0.560757 H\n0.814058 0.434024 0.469299 H\n0.791911 0.745261 0.754676 S\n0.205121 0.261492 0.247210 S\n0.657101 0.425911 0.212260 N\n0.353717 0.560398 0.773314 N\n0.412024 0.830017 0.414024 N\n0.577369 0.181765 0.592890 N\n0.797452 0.729369 0.160335 N\n0.218269 0.272680 0.835760 N\n0.352124 0.715361 0.172953 N\n0.638271 0.284357 0.822897 N\n0.305534 0.489552 0.516330 N\n0.703523 0.780778 0.620296 O\n0.290145 0.237476 0.381767 O\n0.661524 0.852004 0.862680 O\n0.342756 0.151863 0.144484 O\n0.008513 0.786506 0.682038 O\n0.992774 0.213860 0.324316 O\n0.800700 0.566221 0.851096 O\n0.192533 0.438171 0.144541 O\n0.943686 0.909240 0.304062 O\n0.053290 0.089391 0.698793 O\n0.677364 0.500621 0.500197 O\n",
"nsites": 55,
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"elements": [
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"H",
"S",
"N",
"O"
],
"chemical_system": "Co-H-N-O-S",
"density": 1.7544965972354074,
"density_atomic": 0.11277404477283265,
"volume": 487.7008722245417,
"volume_molar": 5.340006002383572,
"formula_full": "Co2 H31 S2 N9 O11",
"formula_reduced": "Co2H31S2N9O11",
"formula_anonymous": "A2B2C9D11E31",
"energy": -305.97778343,
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"updated_at": "2021-11-28T01:34:25.527000Z",
"spacegroup": 1
},
{
"id": "mp-774320",
"created_at": "2022-09-04T14:39:41.727079Z",
"structure_string": "Mn12 O5 F19\n1.0\n4.876646 0.000000 0.000000\n0.254321 5.835048 0.000000\n0.010611 0.143758 15.908113\nMn O F\n12 5 19\ndirect\n0.983865 0.167284 0.415148 Mn\n0.018334 0.838021 0.238200 Mn\n0.995355 0.162626 0.078807 Mn\n0.049162 0.195788 0.756455 Mn\n0.011142 0.817857 0.591108 Mn\n0.988059 0.837793 0.915290 Mn\n0.491042 0.342278 0.586493 Mn\n0.508155 0.354001 0.920056 Mn\n0.511642 0.331233 0.256521 Mn\n0.488877 0.654975 0.084148 Mn\n0.516304 0.650022 0.413229 Mn\n0.485963 0.638963 0.748880 Mn\n0.223052 0.885224 0.129756 O\n0.285473 0.593173 0.646966 O\n0.305983 0.405522 0.813354 O\n0.708540 0.391752 0.027311 O\n0.716786 0.398368 0.366622 O\n0.219874 0.110578 0.305457 F\n0.231029 0.097278 0.638758 F\n0.219916 0.121576 0.969209 F\n0.240229 0.882270 0.468375 F\n0.236301 0.898168 0.808621 F\n0.259111 0.390519 0.144544 F\n0.268685 0.620115 0.309102 F\n0.262491 0.391854 0.475747 F\n0.266063 0.611275 0.974408 F\n0.719548 0.616309 0.192553 F\n0.732334 0.613975 0.524957 F\n0.726274 0.623676 0.852934 F\n0.754970 0.371333 0.688332 F\n0.772916 0.115056 0.188645 F\n0.765753 0.104712 0.531419 F\n0.772431 0.888163 0.352824 F\n0.745895 0.888897 0.024695 F\n0.770968 0.128806 0.861926 F\n0.747480 0.860556 0.699148 F\n",
"nsites": 36,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.035948028843165,
"density_atomic": 0.07952765369215305,
"volume": 452.6727286505135,
"volume_molar": 7.572385805962993,
"formula_full": "Mn12 O5 F19",
"formula_reduced": "Mn12O5F19",
"formula_anonymous": "A5B12C19",
"energy": -266.66439754,
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"updated_at": "2021-11-28T01:34:27.110000Z",
"spacegroup": 1
},
{
"id": "mp-759532",
"created_at": "2022-09-04T14:39:41.750421Z",
"structure_string": "Mn12 O14 F10\n1.0\n4.568266 0.000000 0.000000\n0.081472 5.642355 0.000000\n0.037650 0.069363 15.314944\nMn O F\n12 14 10\ndirect\n0.004466 0.844582 0.592392 Mn\n0.020824 0.164346 0.750348 Mn\n0.017211 0.822714 0.923783 Mn\n0.027345 0.842247 0.256609 Mn\n0.002150 0.153444 0.424681 Mn\n0.012149 0.153481 0.090595 Mn\n0.512234 0.649364 0.408722 Mn\n0.496993 0.654032 0.083002 Mn\n0.496323 0.634972 0.743083 Mn\n0.524520 0.377737 0.909445 Mn\n0.494340 0.351747 0.579416 Mn\n0.503560 0.361212 0.240521 Mn\n0.227565 0.885433 0.697962 O\n0.220310 0.882295 0.365156 O\n0.219347 0.888626 0.033806 O\n0.212616 0.113673 0.533538 O\n0.236628 0.113612 0.198071 O\n0.288087 0.602230 0.852802 O\n0.272782 0.398788 0.687908 O\n0.277269 0.602565 0.188987 O\n0.722710 0.623791 0.974667 O\n0.740062 0.391883 0.802037 O\n0.718884 0.615544 0.637618 O\n0.714528 0.381190 0.469867 O\n0.719995 0.379376 0.136209 O\n0.731237 0.608909 0.302490 O\n0.246874 0.107243 0.867049 F\n0.251947 0.617863 0.513232 F\n0.262212 0.378103 0.347433 F\n0.258043 0.382776 0.013231 F\n0.766062 0.883451 0.807458 F\n0.755423 0.879136 0.485296 F\n0.749460 0.113108 0.646512 F\n0.764632 0.134459 0.972808 F\n0.775796 0.880641 0.152116 F\n0.755418 0.125427 0.311153 F\n",
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"elements": [
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],
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"density": 4.514561525954227,
"density_atomic": 0.0911958963881485,
"volume": 394.75460438237917,
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"formula_full": "Mn12 O14 F10",
"formula_reduced": "Mn6O7F5",
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"energy": -277.82890136000003,
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},
{
"id": "mp-1377576",
"created_at": "2022-09-04T14:39:42.261163Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n2.620955 11.305380 0.000000\n-2.620955 11.305380 0.000000\n0.000000 0.930822 5.522641\nLi V O F\n3 6 3 15\ndirect\n0.779903 0.894505 0.605073 Li\n0.890638 0.109362 0.500000 Li\n0.105495 0.220097 0.394927 Li\n0.833414 0.993136 0.085139 V\n0.651064 0.828807 0.254599 V\n0.497832 0.661669 0.422564 V\n0.338331 0.502168 0.577436 V\n0.006864 0.166586 0.914861 V\n0.171193 0.348936 0.745401 V\n0.461795 0.860986 0.341911 O\n0.525859 0.474141 0.500000 O\n0.139014 0.538205 0.658089 O\n0.964909 0.488957 0.452912 F\n0.854310 0.352156 0.228785 F\n0.844664 0.616013 0.956557 F\n0.718055 0.481998 0.719605 F\n0.850363 0.811445 0.194135 F\n0.808435 0.191565 0.000000 F\n0.510399 0.026694 0.552868 F\n0.647844 0.145690 0.771215 F\n0.383987 0.155336 0.043443 F\n0.518002 0.281945 0.280395 F\n0.188555 0.149637 0.805865 F\n0.275983 0.847498 0.125556 F\n0.153652 0.714703 0.885886 F\n0.144672 0.976591 0.617122 F\n0.023409 0.855328 0.382878 F\n",
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"elements": [
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"V",
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],
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"density": 3.3458538111778506,
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"volume": 327.28156067921657,
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"formula_full": "Li3 V6 O3 F15",
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{
"id": "mp-1261382",
"created_at": "2022-09-04T14:39:41.801874Z",
"structure_string": "Mg5 Al1 H21 O17\n1.0\n2.971686 0.063450 7.428856\n1.383078 2.733625 7.471159\n-0.696763 0.350965 48.311812\nMg Al H O\n5 1 21 17\ndirect\n0.053012 0.991779 0.992683 Mg\n0.051449 0.977495 0.159560 Mg\n0.038647 0.991876 0.495596 Mg\n0.050664 0.980416 0.328156 Mg\n0.037304 0.006870 0.658514 Mg\n0.038614 0.006253 0.825277 Al\n0.471394 0.382346 0.066346 H\n0.177790 0.952324 0.237195 H\n0.640163 0.606593 0.081062 H\n0.546335 0.370732 0.221210 H\n0.120410 0.021783 0.403037 H\n0.666886 0.464575 0.268361 H\n0.526444 0.330001 0.400017 H\n0.991562 0.107409 0.567594 H\n0.783127 0.839736 0.302990 H\n0.645259 0.504426 0.433093 H\n0.470792 0.365275 0.570470 H\n0.713115 0.377700 0.735522 H\n0.699230 0.897521 0.482383 H\n0.615621 0.557860 0.594636 H\n0.366908 0.427883 0.741779 H\n0.016120 0.513421 0.828963 H\n0.509298 0.081082 0.653037 H\n0.544617 0.629003 0.761889 H\n0.537823 0.407188 0.884299 H\n0.696711 0.597016 0.909642 H\n0.987212 0.019993 0.914580 H\n0.450364 0.368711 0.051766 O\n0.683881 0.635162 0.089565 O\n0.452529 0.357489 0.218587 O\n0.833623 0.119754 0.257319 O\n0.659473 0.618376 0.263390 O\n0.440462 0.353519 0.390065 O\n0.770896 0.177720 0.426791 O\n0.647244 0.623605 0.432950 O\n0.411850 0.351332 0.561909 O\n0.633820 0.335354 0.588500 O\n0.631173 0.620122 0.602299 O\n0.376657 0.338233 0.734668 O\n0.401278 0.682328 0.740224 O\n0.612444 0.621054 0.773180 O\n0.459886 0.382877 0.880370 O\n0.764227 0.380475 0.891088 O\n0.700352 0.661997 0.918878 O\n",
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"elements": [
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"density": 1.843389301125855,
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"volume": 397.853451705617,
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"formula_full": "Mg5 Al1 H21 O17",
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"energy": -245.97403038,
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{
"id": "mp-1228140",
"created_at": "2022-09-04T14:39:41.844227Z",
"structure_string": "Ce4 C10 O31\n1.0\n6.472383 0.000000 0.000000\n-1.829253 8.129714 0.000000\n-0.212077 -3.904493 12.428345\nCe C O\n4 10 31\ndirect\n0.907726 0.976889 0.733009 Ce\n0.093485 0.020570 0.264930 Ce\n0.685505 0.312221 0.904064 Ce\n0.317035 0.687721 0.094635 Ce\n0.953227 0.697530 0.865016 C\n0.046275 0.301250 0.133881 C\n0.907374 0.920308 0.474970 C\n0.091562 0.080601 0.523039 C\n0.227346 0.291077 0.873005 C\n0.775025 0.708060 0.126389 C\n0.561515 0.942121 0.961337 C\n0.438429 0.058433 0.037377 C\n0.762590 0.605111 0.778877 C\n0.236669 0.393798 0.219940 C\n0.347409 0.434159 0.929782 O\n0.653525 0.565350 0.070202 O\n0.024459 0.270803 0.851946 O\n0.977455 0.726403 0.148014 O\n0.680838 0.109268 0.745430 O\n0.322477 0.890372 0.251969 O\n0.051077 0.844339 0.861083 O\n0.948744 0.154459 0.138092 O\n0.816011 0.848988 0.541061 O\n0.185111 0.150494 0.456713 O\n0.240460 0.613306 0.649908 O\n0.777001 0.391207 0.337583 O\n0.991176 0.617903 0.930092 O\n0.007740 0.380666 0.068896 O\n0.181576 0.740528 0.640705 O\n0.771620 0.244660 0.342637 O\n0.661705 0.456318 0.777904 O\n0.337507 0.542840 0.221634 O\n0.723136 0.685801 0.715316 O\n0.275373 0.312902 0.283707 O\n0.307446 0.160293 0.832899 O\n0.697145 0.840347 0.165472 O\n0.867793 0.875557 0.374103 O\n0.132045 0.125589 0.623961 O\n0.516965 0.784405 0.954331 O\n0.483922 0.216360 0.044904 O\n0.698887 0.017515 0.911653 O\n0.300477 0.982701 0.086633 O\n0.360923 0.577554 0.494010 O\n0.301716 0.702277 0.483651 O\n0.818520 0.283945 0.563141 O\n",
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"formula_full": "Ce4 C10 O31",
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{
"id": "mp-1219203",
"created_at": "2022-09-04T14:39:41.972295Z",
"structure_string": "Si3 P3 Rh1\n1.0\n4.920998 0.000000 0.000000\n-0.435443 4.920095 0.000000\n-1.723177 -1.944944 4.889430\nSi P Rh\n3 3 1\ndirect\n0.584951 0.601210 0.363122 Si\n0.403335 0.411204 0.634805 Si\n0.713285 0.159043 0.159400 Si\n0.838723 0.292215 0.843135 P\n0.150517 0.707099 0.147194 P\n0.293271 0.841763 0.852651 P\n0.001517 0.001866 0.499693 Rh\n",
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"density": 3.928722739988657,
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{
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{
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{
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"structure_string": "Ga50 N50\n1.0\n12.381196 0.714554 0.119887\n0.702295 11.082496 -0.168241\n0.102247 -0.137489 12.274337\nGa N\n50 50\ndirect\n0.713223 0.690762 0.588805 Ga\n0.259631 0.341974 0.301859 Ga\n0.833110 0.390536 0.846199 Ga\n0.846838 0.562331 0.388402 Ga\n0.512766 0.319423 0.157972 Ga\n0.445864 0.693179 0.591257 Ga\n0.704191 0.941905 0.848891 Ga\n0.205609 0.625575 0.547983 Ga\n0.782561 0.386974 0.138906 Ga\n0.924506 0.554586 0.942318 Ga\n0.888463 0.844834 0.889877 Ga\n0.071566 0.902815 0.048897 Ga\n0.562370 0.534898 0.778295 Ga\n0.617895 0.333753 0.939555 Ga\n0.062410 0.246760 0.601531 Ga\n0.446313 0.699093 0.036790 Ga\n0.792656 0.063041 0.321055 Ga\n0.666416 0.558908 0.008804 Ga\n0.928242 0.557276 0.172400 Ga\n0.979922 0.139753 0.868202 Ga\n0.003488 0.006746 0.232706 Ga\n0.335381 0.498077 0.085779 Ga\n0.972650 0.287745 0.298638 Ga\n0.438906 0.628592 0.242711 Ga\n0.292392 0.625930 0.798406 Ga\n0.391186 0.113235 0.318329 Ga\n0.179264 0.129138 0.186845 Ga\n0.252855 0.580136 0.341362 Ga\n0.906958 0.693451 0.678961 Ga\n0.705485 0.155625 0.833091 Ga\n0.148891 0.413021 0.022275 Ga\n0.592511 0.700333 0.355384 Ga\n0.270258 0.791716 0.959185 Ga\n0.098814 0.592049 0.781483 Ga\n0.561619 0.938142 0.302316 Ga\n0.149953 0.116048 0.985608 Ga\n0.681834 0.902571 0.501656 Ga\n0.645163 0.836169 0.090632 Ga\n0.374341 0.779080 0.413879 Ga\n0.032111 0.757060 0.318415 Ga\n0.823149 0.047130 0.058034 Ga\n0.816485 0.806749 0.184982 Ga\n0.201580 0.174501 0.453113 Ga\n0.074863 0.370441 0.827584 Ga\n0.385053 0.875517 0.194009 Ga\n0.139462 0.673911 0.096743 Ga\n0.004923 0.062430 0.469593 Ga\n0.216330 0.944337 0.388121 Ga\n0.005635 0.480663 0.527986 Ga\n0.598958 0.778816 0.823833 Ga\n0.522114 0.423171 0.413159 N\n0.860296 0.414225 0.665226 N\n0.725179 0.210269 0.568371 N\n0.050908 0.226190 0.752487 N\n0.056031 0.614344 0.623969 N\n0.953082 0.684206 0.836028 N\n0.036773 0.551938 0.056775 N\n0.578161 0.673293 0.688943 N\n0.416767 0.011438 0.594446 N\n0.441903 0.527750 0.964946 N\n0.874620 0.431832 0.266365 N\n0.593125 0.721685 0.981053 N\n0.298382 0.215428 0.724048 N\n0.678352 0.994006 0.017223 N\n0.416790 0.025191 0.839835 N\n0.307094 0.306477 0.761022 N\n0.592562 0.081598 0.061407 N\n0.909157 0.900566 0.659321 N\n0.128921 0.247735 0.309956 N\n0.813485 0.539180 0.060609 N\n0.339641 0.203927 0.979936 N\n0.416563 0.244905 0.997281 N\n0.534852 0.368774 0.662989 N\n0.897773 0.694355 0.279583 N\n0.207575 0.913522 0.700690 N\n0.143675 0.653740 0.252230 N\n0.705257 0.626657 0.441975 N\n0.674703 0.007667 0.385740 N\n0.121609 0.951645 0.687270 N\n0.950838 0.196918 0.155176 N\n0.877627 0.961777 0.590152 N\n0.947786 0.981300 0.958198 N\n0.498054 0.044165 0.602627 N\n0.917036 0.141828 0.354489 N\n0.282333 0.005612 0.249608 N\n0.057674 0.914678 0.370489 N\n0.423025 0.538450 0.856892 N\n0.864785 0.215825 0.105796 N\n0.795449 0.475002 0.618775 N\n0.833650 0.221566 0.864094 N\n0.855431 0.969762 0.197808 N\n0.561167 0.352152 0.353679 N\n0.740190 0.267611 0.497809 N\n0.197970 0.946839 0.970539 N\n0.632861 0.404190 0.089316 N\n0.322230 0.630224 0.645851 N\n0.437228 0.925078 0.849710 N\n0.622802 0.157958 0.125702 N\n0.480656 0.319943 0.610342 N\n0.678558 0.469508 0.864851 N\n",
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{
"id": "mp-1215724",
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"structure_string": "Zn9 Ag9\n1.0\n2.899787 0.000000 0.000000\n-0.089340 7.659448 0.000000\n-0.072305 -0.145914 13.268560\nZn Ag\n9 9\ndirect\n0.763798 0.004091 0.331501 Zn\n0.757772 0.495361 0.830046 Zn\n0.247323 0.497916 0.169991 Zn\n0.246899 0.999860 0.666310 Zn\n0.751625 0.662236 0.016902 Zn\n0.751611 0.159479 0.514184 Zn\n0.751798 0.648068 0.323125 Zn\n0.982104 0.003223 0.001763 Zn\n0.924404 0.503243 0.498457 Zn\n0.748270 0.142034 0.824468 Ag\n0.735471 0.190277 0.161721 Ag\n0.740013 0.694114 0.660597 Ag\n0.270428 0.836195 0.479841 Ag\n0.264315 0.344221 0.985462 Ag\n0.257108 0.847075 0.174103 Ag\n0.259419 0.352537 0.666812 Ag\n0.280009 0.316069 0.347426 Ag\n0.267633 0.804002 0.847292 Ag\n",
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]
}