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{
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"results": [
{
"id": "mp-757691",
"created_at": "2022-09-04T14:45:11.170838Z",
"structure_string": "Li4 Mn3 Fe3 Te2 O16\n1.0\n3.023905 5.253403 0.000000\n-3.023905 5.253403 0.000000\n0.000000 0.214572 9.888622\nLi Mn Fe Te O\n4 3 3 2 16\ndirect\n0.664494 0.664494 0.090725 Li\n0.999390 0.999390 0.016022 Li\n0.001207 0.001207 0.511730 Li\n0.333710 0.333710 0.589108 Li\n0.832247 0.832247 0.788874 Mn\n0.174863 0.659286 0.290354 Mn\n0.659286 0.174863 0.290354 Mn\n0.333745 0.833895 0.787907 Fe\n0.833895 0.333745 0.787907 Fe\n0.173288 0.173288 0.284543 Fe\n0.668799 0.668799 0.518376 Te\n0.332717 0.332717 0.016604 Te\n0.349859 0.831436 0.413181 O\n0.520525 0.520525 0.650076 O\n0.669375 0.669375 0.886047 O\n0.995517 0.995517 0.696325 O\n0.001192 0.001192 0.207297 O\n0.831436 0.349859 0.413181 O\n0.516199 0.958679 0.648355 O\n0.958679 0.516199 0.648355 O\n0.161034 0.161034 0.895612 O\n0.830148 0.830148 0.414477 O\n0.032522 0.472301 0.151584 O\n0.472301 0.032522 0.151584 O\n0.330816 0.330816 0.389560 O\n0.167729 0.675078 0.904275 O\n0.479196 0.479196 0.145551 O\n0.675078 0.167729 0.904275 O\n",
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"O"
],
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"density": 4.605151699685782,
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"volume": 314.1771765809366,
"volume_molar": 6.757211360534913,
"formula_full": "Li4 Mn3 Fe3 Te2 O16",
"formula_reduced": "Li4Mn3Fe3(TeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -198.89304104,
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"updated_at": "2021-11-28T01:36:48.839000Z",
"spacegroup": 8
},
{
"id": "mp-755012",
"created_at": "2022-09-04T14:40:24.650592Z",
"structure_string": "Li4 Ti3 Mn2 Sn3 O16\n1.0\n6.162554 0.014606 0.006193\n-3.068626 5.315039 -0.000017\n0.008317 0.004775 10.041546\nLi Ti Mn Sn O\n4 3 2 3 16\ndirect\n0.340455 0.670248 0.885953 Li\n0.976715 0.988353 0.996518 Li\n0.984679 0.992352 0.501484 Li\n0.672581 0.336295 0.391417 Li\n0.661284 0.830652 0.218914 Ti\n0.832003 0.169849 0.716056 Ti\n0.831920 0.662254 0.716028 Ti\n0.338863 0.669446 0.501200 Mn\n0.671596 0.335816 0.996668 Mn\n0.168477 0.831431 0.214478 Sn\n0.168483 0.337066 0.214480 Sn\n0.338398 0.169195 0.714543 Sn\n0.145416 0.837868 0.605292 O\n0.033384 0.516708 0.334883 O\n0.346455 0.673231 0.099913 O\n0.989209 0.994614 0.319919 O\n0.988015 0.994023 0.815426 O\n0.145410 0.307547 0.605295 O\n0.497842 0.971391 0.328051 O\n0.497838 0.526475 0.328055 O\n0.305186 0.152596 0.097809 O\n0.689763 0.844854 0.612415 O\n0.529289 0.494973 0.827876 O\n0.529294 0.034328 0.827874 O\n0.684293 0.342156 0.604331 O\n0.833064 0.687322 0.106389 O\n0.967022 0.483510 0.820191 O\n0.833063 0.145745 0.106384 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Mn",
"Sn",
"O"
],
"chemical_system": "Li-Mn-O-Sn-Ti",
"density": 4.504173943899611,
"density_atomic": 0.08501525470923568,
"volume": 329.3526567174797,
"volume_molar": 7.083600208687937,
"formula_full": "Li4 Ti3 Mn2 Sn3 O16",
"formula_reduced": "Li4Ti3Mn2Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -212.67718037,
"energy_per_atom": -7.595613584642857,
"energy_above_hull": null,
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"energy_uncorrected": -198.34918037,
"band_gap": 1.348,
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"is_magnetic": true,
"total_magnetization": 10.0083407,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.144000Z",
"spacegroup": 8
},
{
"id": "mp-1177473",
"created_at": "2022-09-04T14:40:23.821172Z",
"structure_string": "Li4 Mn2 Fe3 Sn3 O16\n1.0\n3.080826 5.266574 0.000000\n-3.080826 5.266574 0.000000\n0.000000 0.199148 9.678470\nLi Mn Fe Sn O\n4 2 3 3 16\ndirect\n0.674948 0.674948 0.106998 Li\n0.984870 0.984870 0.009873 Li\n0.986243 0.986243 0.502030 Li\n0.340486 0.340486 0.601034 Li\n0.671743 0.671743 0.508308 Mn\n0.343819 0.343819 0.019532 Mn\n0.834433 0.834433 0.781284 Fe\n0.168503 0.667819 0.287050 Fe\n0.667819 0.168503 0.287050 Fe\n0.341703 0.842735 0.790126 Sn\n0.842735 0.341703 0.790126 Sn\n0.170993 0.170993 0.288451 Sn\n0.318295 0.838808 0.398957 O\n0.528580 0.528580 0.654144 O\n0.675101 0.675101 0.903413 O\n0.004473 0.004473 0.689347 O\n0.998451 0.998451 0.191210 O\n0.838808 0.318295 0.398957 O\n0.528743 0.973271 0.660620 O\n0.973271 0.528743 0.660620 O\n0.166527 0.166527 0.911532 O\n0.827788 0.827788 0.395026 O\n0.050019 0.484031 0.149842 O\n0.484031 0.050019 0.149842 O\n0.338660 0.338660 0.395090 O\n0.165704 0.673367 0.904633 O\n0.481641 0.481641 0.149760 O\n0.673367 0.165704 0.904633 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"Sn",
"O"
],
"chemical_system": "Fe-Li-Mn-O-Sn",
"density": 4.8498274831921515,
"density_atomic": 0.08915094804582514,
"volume": 314.0740576937837,
"volume_molar": 6.754993516058308,
"formula_full": "Li4 Mn2 Fe3 Sn3 O16",
"formula_reduced": "Li4Mn2Fe3Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -196.34422042,
"energy_per_atom": -7.012293586428571,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.780000Z",
"spacegroup": 8
},
{
"id": "mp-770636",
"created_at": "2022-09-04T14:40:17.192363Z",
"structure_string": "Li4 V3 Co2 Sb3 O16\n1.0\n3.069301 5.323562 0.000000\n-3.069301 5.323562 0.000000\n0.000000 0.088153 9.860484\nLi V Co Sb O\n4 3 2 3 16\ndirect\n0.664543 0.664543 0.122479 Li\n0.989335 0.989335 0.009137 Li\n0.992310 0.992310 0.495173 Li\n0.327941 0.327941 0.600007 Li\n0.831883 0.831883 0.783797 V\n0.171175 0.663467 0.285186 V\n0.663467 0.171175 0.285186 V\n0.672925 0.672925 0.480869 Co\n0.343601 0.343601 0.023878 Co\n0.337808 0.831779 0.784734 Sb\n0.831779 0.337808 0.784734 Sb\n0.170650 0.170650 0.284867 Sb\n0.315321 0.846238 0.398408 O\n0.514087 0.514087 0.669268 O\n0.661841 0.661841 0.898685 O\n0.004932 0.004932 0.679417 O\n0.007032 0.007032 0.186846 O\n0.846238 0.315321 0.398408 O\n0.512749 0.968543 0.674711 O\n0.968543 0.512749 0.674711 O\n0.154244 0.154244 0.898015 O\n0.842831 0.842831 0.392161 O\n0.034744 0.481021 0.165037 O\n0.481021 0.034744 0.165037 O\n0.327714 0.327714 0.398029 O\n0.158991 0.690306 0.892364 O\n0.482601 0.482601 0.168676 O\n0.690306 0.158991 0.892364 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"V",
"Co",
"Sb",
"O"
],
"chemical_system": "Co-Li-O-Sb-V",
"density": 4.7395509951044135,
"density_atomic": 0.08689364307512434,
"volume": 322.2330081821113,
"volume_molar": 6.930473331396093,
"formula_full": "Li4 V3 Co2 Sb3 O16",
"formula_reduced": "Li4V3Co2Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -199.16792124,
"energy_per_atom": -7.113140044285714,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:51.743000Z",
"spacegroup": 8
},
{
"id": "mp-763968",
"created_at": "2022-09-04T14:40:25.691523Z",
"structure_string": "Li4 V3 Ni3 Te2 O16\n1.0\n5.881938 0.000000 0.000000\n-2.936121 5.246706 0.000000\n-0.026286 -0.062427 10.229523\nLi V Ni Te O\n4 3 3 2 16\ndirect\n0.658815 0.316351 0.095149 Li\n0.005717 0.013516 0.014777 Li\n0.999809 0.002322 0.504609 Li\n0.338917 0.670087 0.595765 Li\n0.841029 0.196635 0.779571 V\n0.341427 0.185249 0.778075 V\n0.179091 0.358997 0.265863 V\n0.831230 0.668584 0.794876 Ni\n0.658538 0.828138 0.284510 Ni\n0.169962 0.828479 0.284924 Ni\n0.670814 0.338894 0.485384 Te\n0.353940 0.707655 0.003775 Te\n0.836191 0.167570 0.395690 O\n0.527137 0.025066 0.680274 O\n0.670217 0.315239 0.892437 O\n0.992858 0.003514 0.692468 O\n0.013771 0.027489 0.199662 O\n0.332109 0.167319 0.396989 O\n0.985791 0.470380 0.682075 O\n0.484154 0.468440 0.685434 O\n0.133039 0.288747 0.889361 O\n0.836765 0.673442 0.401645 O\n0.468243 0.485791 0.168791 O\n0.016306 0.485837 0.169846 O\n0.311856 0.622827 0.389668 O\n0.682978 0.857568 0.908497 O\n0.479098 0.959388 0.146995 O\n0.180496 0.866478 0.905051 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"V",
"Ni",
"Te",
"O"
],
"chemical_system": "Li-Ni-O-Te-V",
"density": 4.564947260609245,
"density_atomic": 0.0886942522462729,
"volume": 315.69125722210043,
"volume_molar": 6.789775670331625,
"formula_full": "Li4 V3 Ni3 Te2 O16",
"formula_reduced": "Li4V3Ni3(TeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -192.69838389,
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"updated_at": "2021-11-28T01:34:54.291000Z",
"spacegroup": 1
},
{
"id": "mp-849468",
"created_at": "2022-09-04T14:40:28.462601Z",
"structure_string": "Li4 Fe3 Co3 Te2 O16\n1.0\n2.987118 5.192830 0.000000\n-2.987118 5.192830 0.000000\n0.000000 0.109802 9.749844\nLi Fe Co Te O\n4 3 3 2 16\ndirect\n0.664896 0.664896 0.910899 Li\n0.001611 0.001611 0.986442 Li\n0.004860 0.004860 0.482657 Li\n0.333452 0.333452 0.410787 Li\n0.829980 0.829980 0.214219 Fe\n0.659156 0.168881 0.712716 Fe\n0.168881 0.659156 0.712716 Fe\n0.824901 0.344375 0.210460 Co\n0.344375 0.824901 0.210460 Co\n0.172728 0.172728 0.712051 Co\n0.664740 0.664740 0.482450 Te\n0.330860 0.330860 0.985129 Te\n0.825462 0.342724 0.589090 O\n0.518813 0.518813 0.351701 O\n0.667941 0.667941 0.113053 O\n0.003043 0.003043 0.292089 O\n0.997308 0.997308 0.797310 O\n0.342724 0.825462 0.589090 O\n0.963279 0.524650 0.353462 O\n0.524650 0.963279 0.353462 O\n0.168874 0.168874 0.090058 O\n0.826764 0.826764 0.592995 O\n0.487461 0.037266 0.855312 O\n0.037266 0.487461 0.855312 O\n0.340578 0.340578 0.609244 O\n0.654145 0.168937 0.091565 O\n0.480286 0.480286 0.852138 O\n0.168937 0.654145 0.091565 O\n",
"nsites": 28,
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"elements": [
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"O"
],
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"density": 4.849173972975998,
"density_atomic": 0.09257077182529173,
"volume": 302.4712816788892,
"volume_molar": 6.505445121885286,
"formula_full": "Li4 Fe3 Co3 Te2 O16",
"formula_reduced": "Li4Fe3Co3(TeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -186.86402297,
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"updated_at": "2021-11-28T01:34:58.715000Z",
"spacegroup": 8
},
{
"id": "mp-758153",
"created_at": "2022-09-04T14:40:21.366503Z",
"structure_string": "Li4 Cr3 Co3 Sb2 O16\n1.0\n2.939786 5.062860 0.000000\n-2.939786 5.062860 0.000000\n0.000000 0.115847 9.544224\nLi Cr Co Sb O\n4 3 3 2 16\ndirect\n0.329721 0.329721 0.101312 Li\n0.005751 0.005751 0.008166 Li\n0.004831 0.004831 0.505637 Li\n0.663913 0.663913 0.597040 Li\n0.660734 0.169662 0.785417 Cr\n0.169662 0.660734 0.785417 Cr\n0.830563 0.830563 0.285754 Cr\n0.171484 0.171484 0.784909 Co\n0.829985 0.341449 0.285471 Co\n0.341449 0.829985 0.285471 Co\n0.332972 0.332972 0.509079 Sb\n0.665288 0.665288 0.013217 Sb\n0.675852 0.164804 0.403959 O\n0.481948 0.481948 0.654734 O\n0.329340 0.329340 0.892647 O\n0.005982 0.005982 0.691721 O\n0.006560 0.006560 0.194061 O\n0.164804 0.675852 0.403959 O\n0.475689 0.033736 0.658649 O\n0.033736 0.475689 0.658649 O\n0.836677 0.836677 0.907799 O\n0.163912 0.163912 0.398139 O\n0.963535 0.511451 0.159714 O\n0.511451 0.963535 0.159714 O\n0.661056 0.661056 0.388735 O\n0.837820 0.328953 0.903185 O\n0.516609 0.516609 0.166363 O\n0.328953 0.837820 0.903185 O\n",
"nsites": 28,
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"elements": [
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"Cr",
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"Sb",
"O"
],
"chemical_system": "Co-Cr-Li-O-Sb",
"density": 5.026859492169243,
"density_atomic": 0.09855434512923804,
"volume": 284.10720971543714,
"volume_molar": 6.11047717084715,
"formula_full": "Li4 Cr3 Co3 Sb2 O16",
"formula_reduced": "Li4Cr3Co3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -201.75226423,
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"spacegroup": 8
},
{
"id": "mp-758701",
"created_at": "2022-09-04T14:39:58.012909Z",
"structure_string": "Li4 Ti3 Mn3 Sb2 O16\n1.0\n3.002906 5.320891 0.000000\n-3.002906 5.320891 0.000000\n0.000000 0.306644 9.903584\nLi Ti Mn Sb O\n4 3 3 2 16\ndirect\n0.655929 0.655929 0.096045 Li\n0.995286 0.995286 0.011861 Li\n0.008963 0.008963 0.509438 Li\n0.334382 0.334382 0.602209 Li\n0.347000 0.834181 0.783968 Ti\n0.834181 0.347000 0.783968 Ti\n0.170765 0.170765 0.283522 Ti\n0.832055 0.832055 0.793499 Mn\n0.172203 0.662446 0.284230 Mn\n0.662446 0.172203 0.284230 Mn\n0.677384 0.677384 0.503937 Sb\n0.332173 0.332173 0.012567 Sb\n0.335649 0.854040 0.394614 O\n0.520023 0.520023 0.670532 O\n0.649589 0.649589 0.894407 O\n0.011547 0.011547 0.700202 O\n0.002902 0.002902 0.196618 O\n0.854040 0.335649 0.394614 O\n0.492872 0.970179 0.665104 O\n0.970179 0.492872 0.665104 O\n0.165842 0.165842 0.903079 O\n0.848945 0.848945 0.405675 O\n0.031459 0.462746 0.147700 O\n0.462746 0.031459 0.147700 O\n0.325273 0.325273 0.388250 O\n0.174011 0.665089 0.909867 O\n0.473609 0.473609 0.149817 O\n0.665089 0.174011 0.909867 O\n",
"nsites": 28,
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"elements": [
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"Mn",
"Sb",
"O"
],
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"density": 4.384757462860975,
"density_atomic": 0.08847275396001764,
"volume": 316.48161435840103,
"volume_molar": 6.806774391494029,
"formula_full": "Li4 Ti3 Mn3 Sb2 O16",
"formula_reduced": "Li4Ti3Mn3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -216.98949492,
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"updated_at": "2021-11-28T01:34:43.875000Z",
"spacegroup": 8
},
{
"id": "mp-777670",
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},
{
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"structure_string": "Li4 Mn2 Fe3 Sb3 O16\n1.0\n3.084642 5.326107 0.000000\n-3.084642 5.326107 0.000000\n0.000000 0.004224 9.924922\nLi Mn Fe Sb O\n4 2 3 3 16\ndirect\n0.661390 0.661390 0.118771 Li\n0.990316 0.990316 0.005454 Li\n0.994272 0.994272 0.498079 Li\n0.325273 0.325273 0.603772 Li\n0.674491 0.674491 0.498063 Mn\n0.345782 0.345782 0.017083 Mn\n0.833476 0.833476 0.783680 Fe\n0.164404 0.664474 0.286139 Fe\n0.664474 0.164404 0.286139 Fe\n0.340945 0.832819 0.785461 Sb\n0.832819 0.340945 0.785461 Sb\n0.168681 0.168681 0.283603 Sb\n0.312693 0.848777 0.393905 O\n0.514140 0.514140 0.668150 O\n0.658320 0.658320 0.901038 O\n0.011086 0.011086 0.681388 O\n0.002390 0.002390 0.185104 O\n0.848777 0.312693 0.393905 O\n0.502428 0.970212 0.669987 O\n0.970212 0.502428 0.669987 O\n0.160390 0.160390 0.901645 O\n0.843657 0.843657 0.393114 O\n0.031902 0.478192 0.165864 O\n0.478192 0.031902 0.165864 O\n0.329569 0.329569 0.395177 O\n0.173314 0.688148 0.896863 O\n0.475815 0.475815 0.162231 O\n0.688148 0.173314 0.896863 O\n",
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"formula_full": "Li4 Mn2 Fe3 Sb3 O16",
"formula_reduced": "Li4Mn2Fe3Sb3O16",
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{
"id": "mp-770520",
"created_at": "2022-09-04T14:40:39.663987Z",
"structure_string": "Li4 Ti2 Cr3 Fe3 O16\n1.0\n2.941387 5.088406 0.000000\n-2.941387 5.088406 0.000000\n0.000000 0.005557 9.448943\nLi Ti Cr Fe O\n4 2 3 3 16\ndirect\n0.329415 0.329415 0.895655 Li\n0.003442 0.003442 0.994524 Li\n0.001259 0.001259 0.494185 Li\n0.665444 0.665444 0.396722 Li\n0.338364 0.338364 0.485078 Ti\n0.666922 0.666922 0.999420 Ti\n0.169273 0.659756 0.213723 Cr\n0.659756 0.169273 0.213723 Cr\n0.829960 0.829960 0.713716 Cr\n0.170412 0.170412 0.217162 Fe\n0.339617 0.830248 0.714563 Fe\n0.830248 0.339617 0.714563 Fe\n0.171603 0.671212 0.598408 O\n0.480441 0.480441 0.343314 O\n0.330683 0.330683 0.103921 O\n0.000812 0.000812 0.308284 O\n0.003582 0.003582 0.806594 O\n0.671212 0.171603 0.598408 O\n0.038967 0.484514 0.349503 O\n0.484514 0.038967 0.349503 O\n0.832639 0.832639 0.091840 O\n0.163460 0.163460 0.601463 O\n0.514324 0.957110 0.837095 O\n0.957110 0.514324 0.837095 O\n0.662009 0.662009 0.609825 O\n0.338042 0.826653 0.092142 O\n0.519968 0.519968 0.834911 O\n0.826653 0.338042 0.092142 O\n",
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"formula_full": "Li4 Ti2 Cr3 Fe3 O16",
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{
"id": "mp-851029",
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"structure_string": "Li4 Ti3 Ni3 Sn2 O16\n1.0\n5.919346 0.000000 0.000000\n2.949556 5.172823 0.000000\n0.086129 0.028518 9.757209\nLi Ti Ni Sn O\n4 3 3 2 16\ndirect\n0.666593 0.667941 0.892527 Li\n0.012798 0.997392 0.992620 Li\n0.002614 0.000078 0.494373 Li\n0.334848 0.327705 0.398895 Li\n0.823860 0.340450 0.216463 Ti\n0.829607 0.829797 0.214317 Ti\n0.661131 0.162748 0.714856 Ti\n0.342621 0.829252 0.213084 Ni\n0.170574 0.168576 0.711263 Ni\n0.170814 0.659444 0.715493 Ni\n0.658508 0.669509 0.494166 Sn\n0.320241 0.340391 0.988499 Sn\n0.820427 0.325121 0.597878 O\n0.966591 0.517448 0.334854 O\n0.691054 0.654720 0.103492 O\n0.988092 0.005918 0.307292 O\n0.995985 0.025039 0.807338 O\n0.844813 0.832967 0.606015 O\n0.529058 0.503978 0.341604 O\n0.532880 0.961664 0.343435 O\n0.668370 0.167751 0.103118 O\n0.312696 0.843658 0.603600 O\n0.503634 0.033961 0.844183 O\n0.472347 0.492568 0.833620 O\n0.344068 0.307487 0.606541 O\n0.149882 0.172879 0.100559 O\n0.036118 0.481239 0.829223 O\n0.149774 0.680020 0.098530 O\n",
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]
}