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{
"id": "mp-1103642",
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{
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{
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"structure_string": "C12 S8 Cl4 O8 F12\n1.0\n17.025326 0.000000 0.000000\n0.000000 5.772632 0.000000\n0.000000 3.312296 8.469111\nC S Cl O F\n12 8 4 8 12\ndirect\n0.592028 0.751845 0.792998 C\n0.092028 0.248155 0.707002 C\n0.996602 0.819582 0.296277 C\n0.234475 0.550140 0.996645 C\n0.407972 0.248155 0.207002 C\n0.734475 0.449860 0.503355 C\n0.765525 0.449860 0.003355 C\n0.003398 0.180418 0.703723 C\n0.503398 0.819582 0.796277 C\n0.907972 0.751845 0.292998 C\n0.265525 0.550140 0.496645 C\n0.496602 0.180418 0.203723 C\n0.259825 0.238237 0.630607 S\n0.650929 0.857679 0.920712 S\n0.349071 0.142321 0.079288 S\n0.740175 0.761763 0.369393 S\n0.240175 0.238237 0.130607 S\n0.759825 0.761763 0.869393 S\n0.849071 0.857679 0.420712 S\n0.150929 0.142321 0.579288 S\n0.987277 0.867162 0.824256 Cl\n0.487277 0.132838 0.675744 Cl\n0.512723 0.867162 0.324256 Cl\n0.012723 0.132838 0.175744 Cl\n0.220010 0.677746 0.401237 O\n0.779990 0.322254 0.598763 O\n0.115262 0.359558 0.788213 O\n0.384738 0.359558 0.288213 O\n0.279990 0.677746 0.901237 O\n0.884738 0.640442 0.211787 O\n0.720010 0.322254 0.098763 O\n0.615262 0.640442 0.711787 O\n0.837623 0.363227 0.978677 F\n0.337623 0.636773 0.521323 F\n0.981239 0.217400 0.551533 F\n0.481239 0.782600 0.948467 F\n0.040963 0.668527 0.246151 F\n0.662377 0.363227 0.478677 F\n0.518761 0.217400 0.051533 F\n0.959037 0.331473 0.753849 F\n0.540963 0.331473 0.253849 F\n0.162377 0.636773 0.021323 F\n0.459037 0.668527 0.746151 F\n0.018761 0.782600 0.448467 F\n",
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{
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"structure_string": "Na8 Zr2 C16 O38\n1.0\n3.840456 -9.987407 0.000000\n3.840456 9.987407 0.000000\n0.000000 0.000000 12.273662\nNa Zr C O\n8 2 16 38\ndirect\n0.443755 0.920283 0.841806 Na\n0.920283 0.443755 0.158194 Na\n0.556245 0.079717 0.341806 Na\n0.079717 0.556245 0.658194 Na\n0.368646 0.368646 0.500000 Na\n0.631354 0.631354 0.000000 Na\n0.925490 0.074510 0.750000 Na\n0.074510 0.925490 0.250000 Na\n0.109482 0.890518 0.750000 Zr\n0.890518 0.109482 0.250000 Zr\n0.326357 0.280148 0.840921 C\n0.280148 0.326357 0.159079 C\n0.673643 0.719852 0.340921 C\n0.719852 0.673643 0.659079 C\n0.276111 0.019271 0.516282 C\n0.019271 0.276111 0.483718 C\n0.723889 0.980729 0.016282 C\n0.980729 0.723889 0.983718 C\n0.460457 0.266249 0.859909 C\n0.266249 0.460457 0.140091 C\n0.539543 0.733751 0.359909 C\n0.733751 0.539543 0.640091 C\n0.353589 0.953807 0.565271 C\n0.953807 0.353589 0.434729 C\n0.646411 0.046193 0.065271 C\n0.046193 0.646411 0.934729 C\n0.176947 0.138031 0.787632 O\n0.138031 0.176947 0.212368 O\n0.823053 0.861969 0.287632 O\n0.861969 0.823053 0.712368 O\n0.181914 0.016649 0.584663 O\n0.016649 0.181914 0.415337 O\n0.818086 0.983351 0.084663 O\n0.983351 0.818086 0.915337 O\n0.389648 0.108232 0.827368 O\n0.108232 0.389648 0.172632 O\n0.610352 0.891768 0.327368 O\n0.891768 0.610352 0.672632 O\n0.285870 0.878697 0.661600 O\n0.878697 0.285870 0.338400 O\n0.714130 0.121303 0.161600 O\n0.121303 0.714130 0.838400 O\n0.366603 0.415259 0.874321 O\n0.415259 0.366603 0.125679 O\n0.633397 0.584741 0.374321 O\n0.584741 0.633397 0.625679 O\n0.307439 0.069847 0.419277 O\n0.069847 0.307439 0.580723 O\n0.692561 0.930153 0.919277 O\n0.930153 0.692561 0.080723 O\n0.615041 0.399698 0.900524 O\n0.399698 0.615041 0.099476 O\n0.384959 0.600302 0.400524 O\n0.600302 0.384959 0.599476 O\n0.465362 0.970481 0.515234 O\n0.970481 0.465362 0.484766 O\n0.534638 0.029519 0.015234 O\n0.029519 0.534638 0.984766 O\n0.782587 0.217413 0.750000 O\n0.217413 0.782587 0.250000 O\n0.687147 0.051780 0.709685 O\n0.051780 0.687147 0.290315 O\n0.312853 0.948220 0.209685 O\n0.948220 0.312853 0.790315 O\n",
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{
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"structure_string": "K4 Mg2 H16 S4 O24\n1.0\n5.924508 5.474058 0.060088\n5.924508 -5.474058 0.060088\n-0.998330 0.000000 -9.754086\nK Mg H S O\n4 2 16 4 24\ndirect\n0.099488 0.540234 0.295779 K\n0.533403 0.116870 0.294325 K\n0.883130 0.466597 0.705675 K\n0.459766 0.900512 0.704221 K\n0.003541 0.996459 0.000000 Mg\n0.504112 0.495888 0.000000 Mg\n0.190763 0.693970 0.951164 H\n0.717366 0.192754 0.933645 H\n0.807246 0.282634 0.066355 H\n0.306030 0.809237 0.048836 H\n0.141952 0.687927 0.632268 H\n0.696583 0.141663 0.630606 H\n0.858337 0.303417 0.369394 H\n0.312073 0.858048 0.367732 H\n0.939605 0.931153 0.256009 H\n0.068847 0.060395 0.743991 H\n0.953072 0.911586 0.719038 H\n0.088414 0.046928 0.280962 H\n0.283776 0.541851 0.630627 H\n0.543258 0.273088 0.630464 H\n0.726912 0.456742 0.369536 H\n0.458149 0.716224 0.369373 H\n0.787165 0.789800 0.476260 S\n0.210200 0.212835 0.523740 S\n0.296083 0.302297 0.007879 S\n0.697703 0.703917 0.992121 S\n0.248720 0.649175 0.679311 O\n0.648930 0.240268 0.683956 O\n0.759732 0.351070 0.316044 O\n0.350825 0.751280 0.320689 O\n0.825086 0.820473 0.987227 O\n0.179527 0.174914 0.012773 O\n0.352723 0.378376 0.148707 O\n0.621624 0.647277 0.851293 O\n0.195185 0.804815 0.000000 O\n0.814486 0.185514 0.000000 O\n0.988164 0.000270 0.789716 O\n0.999730 0.011836 0.210284 O\n0.230415 0.447882 0.927944 O\n0.456688 0.238125 0.946685 O\n0.761875 0.543312 0.053315 O\n0.552118 0.769585 0.072056 O\n0.347067 0.328826 0.528006 O\n0.671174 0.652933 0.471994 O\n0.861372 0.788234 0.342341 O\n0.211766 0.138628 0.657659 O\n0.923358 0.760416 0.588538 O\n0.692527 0.952448 0.508878 O\n0.047552 0.307473 0.491122 O\n0.239584 0.076642 0.411462 O\n",
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{
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{
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