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{
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"structure_string": "Si4 Ag4 H64 C28 S12 O12 F12\n1.0\n0.000000 -8.563719 0.000000\n-14.150947 -4.281860 0.000000\n-4.418647 -4.281860 -15.185035\nSi Ag H C S O F\n4 4 64 28 12 12 12\ndirect\n0.286002 0.970514 0.706553 Si\n0.963070 0.529486 0.793447 Si\n0.713998 0.029486 0.293447 Si\n0.036930 0.470514 0.206553 Si\n0.043718 0.250000 0.750000 Ag\n0.956282 0.750000 0.250000 Ag\n0.404014 0.250000 0.750000 Ag\n0.595986 0.750000 0.250000 Ag\n0.330882 0.946870 0.857825 H\n0.135576 0.553130 0.642175 H\n0.669118 0.053130 0.142175 H\n0.864424 0.446870 0.357825 H\n0.247864 0.136113 0.928330 H\n0.312308 0.363887 0.571670 H\n0.752136 0.863887 0.071670 H\n0.687692 0.636113 0.428330 H\n0.032155 0.139096 0.975259 H\n0.146510 0.360904 0.524741 H\n0.967845 0.860904 0.024741 H\n0.853490 0.639096 0.475259 H\n0.179835 0.022860 0.990081 H\n0.192775 0.477140 0.509919 H\n0.820165 0.977140 0.009919 H\n0.807225 0.522860 0.490081 H\n0.627006 0.930972 0.869239 H\n0.427218 0.569028 0.630761 H\n0.372994 0.069028 0.130761 H\n0.572782 0.430972 0.369239 H\n0.700186 0.040854 0.844477 H\n0.585517 0.459146 0.655523 H\n0.299814 0.959146 0.155523 H\n0.414483 0.540854 0.344477 H\n0.512572 0.026171 0.922001 H\n0.460745 0.473829 0.577999 H\n0.487428 0.973829 0.077999 H\n0.539255 0.526171 0.422001 H\n0.304608 0.046593 0.546809 H\n0.898010 0.453407 0.953191 H\n0.695392 0.953407 0.453191 H\n0.101990 0.546593 0.046809 H\n0.201456 0.136249 0.603800 H\n0.941505 0.363751 0.896200 H\n0.798544 0.863751 0.396200 H\n0.058495 0.636249 0.103800 H\n0.422864 0.096278 0.588505 H\n0.107647 0.403722 0.911495 H\n0.577136 0.903722 0.411495 H\n0.892353 0.596278 0.088505 H\n0.582136 0.876965 0.698107 H\n0.157208 0.623035 0.801893 H\n0.417864 0.123035 0.301893 H\n0.842792 0.376965 0.198107 H\n0.444108 0.796882 0.756988 H\n0.997978 0.703118 0.743012 H\n0.555892 0.203118 0.243012 H\n0.002022 0.296882 0.256988 H\n0.471815 0.841719 0.640266 H\n0.953800 0.658281 0.859734 H\n0.528185 0.158281 0.359734 H\n0.046200 0.341719 0.140266 H\n0.076666 0.906224 0.678497 H\n0.661388 0.593776 0.821503 H\n0.923334 0.093776 0.321503 H\n0.338612 0.406224 0.178497 H\n0.066795 0.877055 0.793874 H\n0.737724 0.622945 0.706126 H\n0.933205 0.122945 0.206126 H\n0.262276 0.377055 0.293874 H\n0.977336 0.998424 0.733365 H\n0.709125 0.501576 0.766635 H\n0.022664 0.001576 0.266635 H\n0.290875 0.498424 0.233365 H\n0.301876 0.013679 0.803413 C\n0.118967 0.486321 0.696587 C\n0.698124 0.986321 0.196587 C\n0.881033 0.513679 0.303413 C\n0.147866 0.096861 0.945428 C\n0.190155 0.403139 0.554572 C\n0.852134 0.903139 0.054572 C\n0.809845 0.596861 0.445428 C\n0.589596 0.010421 0.861542 C\n0.461559 0.489579 0.638458 C\n0.410404 0.989579 0.138458 C\n0.538441 0.510421 0.361542 C\n0.839063 0.170484 0.506005 C\n0.515552 0.329516 0.993995 C\n0.160937 0.829516 0.493995 C\n0.484448 0.670484 0.006005 C\n0.306121 0.072545 0.602139 C\n0.980805 0.427455 0.897861 C\n0.693879 0.927455 0.397861 C\n0.019195 0.572545 0.102139 C\n0.462824 0.861307 0.700760 C\n0.024890 0.638693 0.799240 C\n0.537176 0.138693 0.299240 C\n0.975110 0.361307 0.200760 C\n0.082106 0.934892 0.731354 C\n0.748351 0.565108 0.768646 C\n0.917894 0.065108 0.268646 C\n0.251649 0.434892 0.231354 C\n0.105245 0.083372 0.848101 S\n0.036717 0.416628 0.651899 S\n0.894755 0.916628 0.151899 S\n0.963283 0.583372 0.348101 S\n0.482543 0.068497 0.768917 S\n0.319957 0.431503 0.731083 S\n0.517457 0.931503 0.231083 S\n0.680043 0.568497 0.268917 S\n0.788496 0.256535 0.576212 S\n0.621243 0.243465 0.923788 S\n0.211504 0.743465 0.423788 S\n0.378757 0.756535 0.076212 S\n0.606677 0.277115 0.596762 O\n0.480554 0.222885 0.903238 O\n0.393323 0.722885 0.403238 O\n0.519446 0.777115 0.096762 O\n0.869925 0.199013 0.651700 O\n0.720638 0.300987 0.848300 O\n0.130075 0.800987 0.348300 O\n0.279362 0.699013 0.151700 O\n0.858609 0.339555 0.517669 O\n0.715833 0.160445 0.982331 O\n0.141391 0.660445 0.482331 O\n0.284167 0.839555 0.017669 O\n0.764127 0.213748 0.434008 F\n0.411883 0.286252 0.065992 F\n0.235873 0.786252 0.565992 F\n0.588117 0.713748 0.934008 F\n0.786154 0.086102 0.550835 F\n0.423090 0.413898 0.949165 F\n0.213846 0.913898 0.449165 F\n0.576910 0.586102 0.050835 F\n0.005013 0.146005 0.476372 F\n0.627390 0.353995 0.023628 F\n0.994987 0.853995 0.523628 F\n0.372610 0.646005 0.976372 F\n",
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"elements": [
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],
"chemical_system": "Ag-C-F-H-O-S-Si",
"density": 1.578587286203843,
"density_atomic": 0.07390523432276286,
"volume": 1840.1944225770746,
"volume_molar": 8.148463116563283,
"formula_full": "Si4 Ag4 H64 C28 S12 O12 F12",
"formula_reduced": "SiAgH16C7S3(OF)3",
"formula_anonymous": "ABC3D3E3F7G16",
"energy": -717.06395608,
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"updated_at": "2021-11-28T01:37:16.599000Z",
"spacegroup": 15
},
{
"id": "mp-1182733",
"created_at": "2022-09-04T14:45:54.952542Z",
"structure_string": "Mg2 H32 C8 S8 N4 O32 F24\n1.0\n14.306928 0.000000 0.000000\n0.000000 7.111001 0.000000\n0.000000 5.227546 17.151587\nMg H C S N O F\n2 32 8 8 4 32 24\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.036899 0.108814 0.246671 H\n0.215526 0.416119 0.670997 H\n0.189421 0.572482 0.369141 H\n0.463101 0.108814 0.746671 H\n0.629766 0.055907 0.291548 H\n0.810579 0.427518 0.630859 H\n0.167768 0.158544 0.211987 H\n0.784474 0.583881 0.329003 H\n0.370234 0.944093 0.708452 H\n0.308133 0.489601 0.697168 H\n0.808133 0.510399 0.802832 H\n0.877141 0.185443 0.201050 H\n0.536899 0.891186 0.253329 H\n0.832232 0.841456 0.788013 H\n0.715526 0.583881 0.829003 H\n0.129766 0.944093 0.208452 H\n0.755488 0.044588 0.585043 H\n0.377141 0.814557 0.298950 H\n0.244512 0.955412 0.414957 H\n0.284474 0.416119 0.170997 H\n0.963101 0.891186 0.753329 H\n0.689421 0.427518 0.130859 H\n0.255488 0.955412 0.914957 H\n0.691867 0.510399 0.302832 H\n0.310579 0.572482 0.869141 H\n0.122859 0.814557 0.798950 H\n0.667768 0.841456 0.288013 H\n0.870234 0.055907 0.791548 H\n0.622859 0.185443 0.701050 H\n0.744512 0.044588 0.085043 H\n0.191867 0.489601 0.197168 H\n0.332232 0.158544 0.711987 H\n0.860851 0.499190 0.584912 C\n0.655623 0.152469 0.893590 C\n0.844377 0.152469 0.393590 C\n0.344377 0.847531 0.106410 C\n0.360851 0.500810 0.915088 C\n0.139149 0.500810 0.415088 C\n0.155623 0.847531 0.606410 C\n0.639149 0.499190 0.084912 C\n0.646688 0.189383 0.423431 S\n0.679693 0.999643 0.634469 S\n0.353312 0.810617 0.576569 S\n0.853312 0.189383 0.923431 S\n0.179693 0.000357 0.865531 S\n0.320307 0.000357 0.365531 S\n0.146688 0.810617 0.076569 S\n0.820307 0.999643 0.134469 S\n0.817844 0.177672 0.167443 N\n0.182156 0.822328 0.832557 N\n0.682156 0.177672 0.667443 N\n0.317844 0.822328 0.332557 N\n0.228224 0.369642 0.201382 O\n0.950387 0.551861 0.258266 O\n0.623433 0.951992 0.265861 O\n0.771776 0.630358 0.798618 O\n0.398961 0.029868 0.418757 O\n0.548420 0.727970 0.478356 O\n0.048420 0.272030 0.021644 O\n0.132792 0.736161 0.165140 O\n0.605479 0.607557 0.519982 O\n0.898961 0.970132 0.081243 O\n0.601039 0.970132 0.581243 O\n0.101039 0.029868 0.918757 O\n0.728224 0.630358 0.298618 O\n0.451580 0.272030 0.521644 O\n0.123433 0.048008 0.234139 O\n0.049613 0.448139 0.741734 O\n0.950767 0.719539 0.265139 O\n0.394521 0.392443 0.480018 O\n0.549233 0.719539 0.765139 O\n0.271776 0.369642 0.701382 O\n0.450767 0.280461 0.234861 O\n0.367208 0.736161 0.665140 O\n0.894521 0.607557 0.019982 O\n0.549613 0.551861 0.758266 O\n0.049233 0.280461 0.734861 O\n0.876567 0.951992 0.765861 O\n0.951580 0.727970 0.978356 O\n0.632792 0.263839 0.334860 O\n0.867208 0.263839 0.834860 O\n0.450387 0.448139 0.241734 O\n0.376567 0.048008 0.734139 O\n0.105479 0.392443 0.980018 O\n0.562270 0.385405 0.088185 F\n0.972262 0.159868 0.259280 F\n0.611343 0.676383 0.091907 F\n0.178667 0.469381 0.487019 F\n0.663487 0.977324 0.881137 F\n0.111343 0.323617 0.408093 F\n0.336513 0.022676 0.118863 F\n0.472262 0.840132 0.240720 F\n0.678667 0.530619 0.012981 F\n0.437730 0.614595 0.911815 F\n0.027738 0.840132 0.740720 F\n0.062270 0.614595 0.411815 F\n0.901513 0.121683 0.454497 F\n0.098487 0.878317 0.545503 F\n0.388657 0.323617 0.908093 F\n0.163487 0.022676 0.618863 F\n0.836513 0.977324 0.381137 F\n0.527738 0.159868 0.759280 F\n0.937730 0.385405 0.588185 F\n0.321333 0.469381 0.987019 F\n0.401513 0.878317 0.045503 F\n0.821333 0.530619 0.512981 F\n0.598487 0.121683 0.954497 F\n0.888657 0.676383 0.591907 F\n",
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],
"chemical_system": "C-F-H-Mg-N-O-S",
"density": 1.386941136529967,
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"volume": 1744.9437912023877,
"volume_molar": 9.552997389917119,
"formula_full": "Mg2 H32 C8 S8 N4 O32 F24",
"formula_reduced": "MgH16C4S4N2(O4F3)4",
"formula_anonymous": "AB2C4D4E12F16G16",
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"updated_at": "2021-11-28T01:37:14.259000Z",
"spacegroup": 14
},
{
"id": "mp-1196552",
"created_at": "2022-09-04T14:45:43.441208Z",
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{
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"structure_string": "Ca2 Mn2 Al8 Si2 P6 H10 O40\n1.0\n6.337300 10.129565 0.000000\n-6.337300 10.129565 0.000000\n0.000000 1.853288 6.788464\nCa Mn Al Si P H O\n2 2 8 2 6 10 40\ndirect\n0.730353 0.269647 0.000000 Ca\n0.269647 0.730353 0.000000 Ca\n0.240488 0.240488 0.170712 Mn\n0.759512 0.759512 0.829288 Mn\n0.793891 0.585345 0.476486 Al\n0.585345 0.793891 0.476486 Al\n0.206109 0.414655 0.523514 Al\n0.414655 0.206109 0.523514 Al\n0.983123 0.192205 0.241142 Al\n0.192205 0.983123 0.241142 Al\n0.016877 0.807795 0.758858 Al\n0.807795 0.016877 0.758858 Al\n0.046441 0.046441 0.688368 Si\n0.953559 0.953559 0.311632 Si\n0.534693 0.534693 0.606946 P\n0.465307 0.465307 0.393054 P\n0.936173 0.451676 0.793182 P\n0.451676 0.936173 0.793182 P\n0.063827 0.548324 0.206818 P\n0.548324 0.063827 0.206818 P\n0.810583 0.810583 0.099003 H\n0.189417 0.189417 0.900997 H\n0.891204 0.891204 0.240678 H\n0.108796 0.108796 0.759322 H\n0.064340 0.271788 0.262526 H\n0.271788 0.064340 0.262526 H\n0.935660 0.728212 0.737474 H\n0.728212 0.935660 0.737474 H\n0.104721 0.104721 0.083322 H\n0.895279 0.895279 0.916678 H\n0.378803 0.378803 0.533608 O\n0.621197 0.621197 0.466392 O\n0.581974 0.581974 0.988606 O\n0.418026 0.418026 0.011394 O\n0.112020 0.893079 0.760964 O\n0.893079 0.112020 0.760964 O\n0.887980 0.106921 0.239036 O\n0.106921 0.887980 0.239036 O\n0.070347 0.427856 0.693472 O\n0.427856 0.070347 0.693472 O\n0.929653 0.572144 0.306528 O\n0.572144 0.929653 0.306528 O\n0.868252 0.563736 0.898694 O\n0.563736 0.868252 0.898694 O\n0.131748 0.436264 0.101306 O\n0.436264 0.131748 0.101306 O\n0.857748 0.449384 0.645489 O\n0.449384 0.857748 0.645489 O\n0.142252 0.550616 0.354511 O\n0.550616 0.142252 0.354511 O\n0.070216 0.070216 0.443421 O\n0.929784 0.929784 0.556579 O\n0.628186 0.420020 0.714660 O\n0.420020 0.628186 0.714660 O\n0.371814 0.579980 0.285340 O\n0.579980 0.371814 0.285340 O\n0.954002 0.321232 0.943324 O\n0.321232 0.954002 0.943324 O\n0.045998 0.678768 0.056676 O\n0.678768 0.045998 0.056676 O\n0.269057 0.269057 0.428424 O\n0.730943 0.730943 0.571576 O\n0.763286 0.763286 0.090358 O\n0.236714 0.236714 0.909642 O\n0.660320 0.142954 0.874707 O\n0.142954 0.660320 0.874707 O\n0.339680 0.857046 0.125293 O\n0.857046 0.339680 0.125293 O\n0.370947 0.370947 0.930570 O\n0.629053 0.629053 0.069430 O\n",
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],
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"formula_full": "Ca2 Mn2 Al8 Si2 P6 H10 O40",
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},
{
"id": "mp-1221911",
"created_at": "2022-09-04T14:46:59.519957Z",
"structure_string": "Na4 Ca8 Zr2 Nb2 Si8 O34 F2\n1.0\n10.461503 0.000000 0.000000\n0.000000 7.431617 0.000000\n0.000000 3.812119 10.401903\nNa Ca Zr Nb Si O F\n4 8 2 2 8 34 2\ndirect\n0.421779 0.957499 0.361835 Na\n0.921779 0.042501 0.638165 Na\n0.568638 0.300573 0.125964 Na\n0.068638 0.699427 0.874036 Na\n0.221383 0.299528 0.158547 Ca\n0.721383 0.700472 0.841453 Ca\n0.190487 0.802354 0.149899 Ca\n0.690487 0.197646 0.850101 Ca\n0.426968 0.433273 0.367312 Ca\n0.926968 0.566727 0.632688 Ca\n0.805775 0.955677 0.349365 Ca\n0.305775 0.044323 0.650635 Ca\n0.809173 0.458648 0.349604 Zr\n0.309173 0.541352 0.650396 Zr\n0.557638 0.794529 0.116813 Nb\n0.057638 0.205471 0.883187 Nb\n0.124848 0.372016 0.430577 Si\n0.624848 0.627984 0.569423 Si\n0.878415 0.804388 0.076627 Si\n0.378415 0.195612 0.923373 Si\n0.125030 0.935472 0.434271 Si\n0.625030 0.064528 0.565729 Si\n0.874013 0.382531 0.070534 Si\n0.374013 0.617469 0.929466 Si\n0.002865 0.937683 0.015902 O\n0.502865 0.062317 0.984098 O\n0.007896 0.312185 0.017928 O\n0.507896 0.687815 0.982072 O\n0.980732 0.859863 0.470542 O\n0.480732 0.140137 0.529458 O\n0.976828 0.408278 0.466151 O\n0.476828 0.591722 0.533849 O\n0.900991 0.614291 0.034742 O\n0.400991 0.385709 0.965258 O\n0.739916 0.891884 0.014716 O\n0.239916 0.108116 0.985284 O\n0.168752 0.975819 0.287362 O\n0.668752 0.024181 0.712638 O\n0.142760 0.136054 0.471554 O\n0.642760 0.863946 0.528446 O\n0.400830 0.267938 0.249865 O\n0.900830 0.732062 0.750135 O\n0.880065 0.738380 0.233670 O\n0.380065 0.261620 0.766330 O\n0.734869 0.589172 0.473284 O\n0.234869 0.410828 0.526716 O\n0.747943 0.355811 0.995851 O\n0.247943 0.644189 0.004149 O\n0.641262 0.567473 0.230047 O\n0.141262 0.432527 0.769953 O\n0.163468 0.487236 0.283702 O\n0.663468 0.512764 0.716298 O\n0.863322 0.291565 0.228947 O\n0.363322 0.708435 0.771053 O\n0.731057 0.198950 0.460240 O\n0.231057 0.801050 0.539760 O\n0.410086 0.762982 0.212160 O\n0.910086 0.237018 0.787840 O\n0.626211 0.962125 0.227295 F\n0.126211 0.037875 0.772705 F\n",
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},
{
"id": "mp-556621",
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"structure_string": "Rb1 Bi1 As6 H24 C8 S12 N2\n1.0\n9.987413 -5.022015 0.000000\n9.987413 5.022015 0.000000\n7.462171 0.000000 8.323765\nRb Bi As H C S N\n1 1 6 24 8 12 2\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.578209 0.195047 0.307424 As\n0.421791 0.804953 0.692576 As\n0.195047 0.307424 0.578209 As\n0.804953 0.692576 0.421791 As\n0.692576 0.421791 0.804953 As\n0.307424 0.578209 0.195047 As\n0.868788 0.988497 0.579020 H\n0.715272 0.668665 0.053888 H\n0.743957 0.832148 0.016591 H\n0.011503 0.420980 0.131212 H\n0.946112 0.284728 0.331335 H\n0.284728 0.331335 0.946112 H\n0.832194 0.768739 0.630023 H\n0.832148 0.016591 0.743957 H\n0.988497 0.579020 0.868788 H\n0.167806 0.231261 0.369977 H\n0.983409 0.256043 0.167852 H\n0.579020 0.868788 0.988497 H\n0.331335 0.946112 0.284728 H\n0.231261 0.369977 0.167806 H\n0.053888 0.715272 0.668665 H\n0.768739 0.630023 0.832194 H\n0.668665 0.053888 0.715272 H\n0.420980 0.131212 0.011503 H\n0.369977 0.167806 0.231261 H\n0.131212 0.011503 0.420980 H\n0.167852 0.983409 0.256043 H\n0.630023 0.832194 0.768739 H\n0.016591 0.743957 0.832148 H\n0.256043 0.167852 0.983409 H\n0.296012 0.205651 0.020388 C\n0.020388 0.296012 0.205651 C\n0.979612 0.703988 0.794349 C\n0.755878 0.755878 0.755878 C\n0.205651 0.020388 0.296012 C\n0.244122 0.244122 0.244122 C\n0.703988 0.794349 0.979612 C\n0.794349 0.979612 0.703988 C\n0.456328 0.173164 0.575283 S\n0.173164 0.575283 0.456328 S\n0.826836 0.424717 0.543672 S\n0.705894 0.169900 0.948817 S\n0.830100 0.051183 0.294106 S\n0.169900 0.948817 0.705894 S\n0.948817 0.705894 0.169900 S\n0.051183 0.294106 0.830100 S\n0.575283 0.456328 0.173164 S\n0.294106 0.830100 0.051183 S\n0.543672 0.826836 0.424717 S\n0.424717 0.543672 0.826836 S\n0.191658 0.191658 0.191658 N\n0.808342 0.808342 0.808342 N\n",
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],
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{
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"structure_string": "Mn2 P2 H30 C6 N2 Cl6 O6\n1.0\n-6.452063 0.000000 1.087508\n0.014649 0.000000 -8.745529\n0.000000 -11.090606 0.000000\nMn P H C N Cl O\n2 2 30 6 2 6 6\ndirect\n0.006832 0.866439 0.998582 Mn\n0.993168 0.133561 0.498582 Mn\n0.269614 0.246482 0.000728 P\n0.730386 0.753518 0.500728 P\n0.023103 0.471254 0.124322 H\n0.976897 0.528746 0.624322 H\n0.120503 0.457636 0.265285 H\n0.879497 0.542364 0.765285 H\n0.998199 0.299147 0.199972 H\n0.001801 0.700853 0.699972 H\n0.635911 0.880499 0.861741 H\n0.364089 0.119501 0.361741 H\n0.803551 0.001888 0.798569 H\n0.196449 0.998112 0.298569 H\n0.609423 0.855678 0.125419 H\n0.390577 0.144322 0.625419 H\n0.770328 0.987223 0.185014 H\n0.229673 0.012777 0.685014 H\n0.218959 0.298008 0.791745 H\n0.781041 0.701992 0.291745 H\n0.376278 0.458451 0.868585 H\n0.623722 0.541549 0.368585 H\n0.101139 0.422964 0.888658 H\n0.898861 0.577036 0.388658 H\n0.545735 0.117226 0.063739 H\n0.454265 0.882774 0.563739 H\n0.636151 0.296759 0.985198 H\n0.363849 0.703241 0.485198 H\n0.524594 0.126114 0.903581 H\n0.475406 0.873886 0.403581 H\n0.381868 0.323507 0.202700 H\n0.618132 0.676493 0.702700 H\n0.392596 0.489142 0.106346 H\n0.607404 0.510858 0.606346 H\n0.300212 0.377160 0.132057 C\n0.699788 0.622840 0.632057 C\n0.238190 0.368002 0.874337 C\n0.761810 0.631998 0.374337 C\n0.518841 0.190922 0.987609 C\n0.481159 0.809078 0.487609 C\n0.097782 0.403260 0.182217 N\n0.902218 0.596740 0.682217 N\n0.252009 0.811843 0.165457 Cl\n0.747991 0.188157 0.665457 Cl\n0.834467 0.577277 0.982706 Cl\n0.165533 0.422723 0.482706 Cl\n0.258823 0.838976 0.819650 Cl\n0.741177 0.161024 0.319650 Cl\n0.089529 0.116007 0.020718 O\n0.910471 0.883993 0.520718 O\n0.785714 0.905667 0.847170 O\n0.214286 0.094333 0.347170 O\n0.758750 0.896523 0.130407 O\n0.241250 0.103477 0.630407 O\n",
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"formula_full": "Mn2 P2 H30 C6 N2 Cl6 O6",
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}
]
}