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{
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{
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"structure_string": "Na8 H24 Pt4 C16 N16 O12\n1.0\n7.371481 0.000000 0.000000\n0.803910 9.076896 0.000000\n0.730333 0.183287 15.487910\nNa H Pt C N O\n8 24 4 16 16 12\ndirect\n0.457009 0.755011 0.754827 Na\n0.542991 0.244989 0.245173 Na\n0.760627 0.433454 0.807758 Na\n0.239373 0.566546 0.192242 Na\n0.693049 0.072062 0.688372 Na\n0.306951 0.927938 0.311628 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.536109 0.636527 0.931075 H\n0.463891 0.363473 0.068925 H\n0.416175 0.523163 0.898062 H\n0.583825 0.476837 0.101938 H\n0.070507 0.599902 0.815665 H\n0.929493 0.400098 0.184335 H\n0.915758 0.709553 0.852828 H\n0.084242 0.290447 0.147172 H\n0.568541 0.650069 0.272867 H\n0.431459 0.349931 0.727133 H\n0.556844 0.736208 0.188960 H\n0.443156 0.263792 0.811040 H\n0.983988 0.762609 0.312556 H\n0.016012 0.237391 0.687444 H\n0.985633 0.842118 0.225160 H\n0.014367 0.157882 0.774840 H\n0.514177 0.864143 0.577130 H\n0.485823 0.135857 0.422870 H\n0.373925 0.985142 0.614193 H\n0.626075 0.014858 0.385807 H\n0.906353 0.793905 0.649489 H\n0.093647 0.206095 0.350511 H\n0.035917 0.896386 0.688200 H\n0.964083 0.103614 0.311800 H\n0.246284 0.012214 0.987174 Pt\n0.753716 0.987786 0.012826 Pt\n0.247900 0.487071 0.516850 Pt\n0.752100 0.512929 0.483150 Pt\n0.272934 0.220693 0.952795 C\n0.727066 0.779307 0.047205 C\n0.218608 0.805581 0.024623 C\n0.781392 0.194419 0.975377 C\n0.198443 0.963831 0.865899 C\n0.801557 0.036169 0.134101 C\n0.296495 0.058873 0.107963 C\n0.703505 0.941127 0.892037 C\n0.235761 0.542545 0.640413 C\n0.764239 0.457455 0.359587 C\n0.267304 0.431884 0.393513 C\n0.732696 0.568116 0.606487 C\n0.230633 0.277958 0.551846 C\n0.769367 0.722042 0.448154 C\n0.260812 0.695758 0.480369 C\n0.739188 0.304242 0.519631 C\n0.288853 0.344660 0.934100 N\n0.711147 0.655340 0.065900 N\n0.200092 0.685124 0.049077 N\n0.799908 0.314876 0.950923 N\n0.171603 0.935758 0.794079 N\n0.828397 0.064242 0.205921 N\n0.328005 0.086366 0.179184 N\n0.671995 0.913634 0.820816 N\n0.232952 0.572642 0.713928 N\n0.767048 0.427358 0.286072 N\n0.284172 0.399196 0.320437 N\n0.715828 0.600804 0.679563 N\n0.217366 0.154860 0.573182 N\n0.782634 0.845140 0.426818 N\n0.264145 0.818390 0.456422 N\n0.735855 0.181610 0.543578 N\n0.505138 0.592058 0.877564 O\n0.494862 0.407942 0.122436 O\n0.966472 0.607441 0.858430 O\n0.033528 0.392559 0.141570 O\n0.485718 0.720156 0.242745 O\n0.514282 0.279844 0.757255 O\n0.060949 0.772571 0.260456 O\n0.939051 0.227429 0.739544 O\n0.476778 0.914605 0.630617 O\n0.523222 0.085395 0.369383 O\n0.947917 0.892348 0.642457 O\n0.052083 0.107652 0.357543 O\n",
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"formula_full": "Na8 H24 Pt4 C16 N16 O12",
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{
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"structure_string": "P4 H40 C12 N8 O16 F4\n1.0\n17.884102 0.000000 0.000000\n0.000000 5.597832 0.000000\n0.000000 1.783130 8.516765\nP H C N O F\n4 40 12 8 16 4\ndirect\n0.567814 0.533994 0.188147 P\n0.932186 0.533994 0.688147 P\n0.432186 0.466006 0.811853 P\n0.067814 0.466006 0.311853 P\n0.708902 0.275673 0.767543 H\n0.498202 0.730632 0.913442 H\n0.932916 0.084075 0.008303 H\n0.567084 0.084075 0.508303 H\n0.291098 0.724327 0.232457 H\n0.108605 0.073921 0.813585 H\n0.205602 0.339407 0.311099 H\n0.101000 0.219665 0.977163 H\n0.860516 0.939578 0.516532 H\n0.601000 0.780335 0.522837 H\n0.703836 0.425795 0.929561 H\n0.139484 0.060422 0.483468 H\n0.296164 0.574205 0.070439 H\n0.067084 0.915925 0.991697 H\n0.121166 0.685840 0.644883 H\n0.791098 0.275673 0.267543 H\n0.621166 0.314160 0.855117 H\n0.639484 0.939578 0.016532 H\n0.608605 0.926079 0.686415 H\n0.203836 0.574205 0.570439 H\n0.794398 0.660593 0.688901 H\n0.818987 0.219433 0.915427 H\n0.181013 0.780567 0.084573 H\n0.378834 0.685840 0.144883 H\n0.360516 0.060422 0.983468 H\n0.318987 0.780567 0.584573 H\n0.432916 0.915925 0.491697 H\n0.001798 0.730632 0.413442 H\n0.998202 0.269368 0.586558 H\n0.891395 0.926079 0.186415 H\n0.878834 0.314160 0.355117 H\n0.208902 0.724327 0.732457 H\n0.899000 0.780335 0.022837 H\n0.681013 0.219433 0.415427 H\n0.501798 0.269368 0.086558 H\n0.796164 0.425795 0.429561 H\n0.705602 0.660593 0.188901 H\n0.391395 0.073921 0.313585 H\n0.399000 0.219665 0.477163 H\n0.294398 0.339407 0.811099 H\n0.247344 0.051676 0.957529 C\n0.819521 0.276970 0.379376 C\n0.747344 0.948324 0.542471 C\n0.110953 0.044862 0.942072 C\n0.252656 0.051676 0.457529 C\n0.180479 0.723030 0.620624 C\n0.610953 0.955138 0.557928 C\n0.319521 0.723030 0.120624 C\n0.389047 0.044862 0.442072 C\n0.752656 0.948324 0.042471 C\n0.889047 0.955138 0.057928 C\n0.680479 0.276970 0.879376 C\n0.182559 0.939682 0.001607 N\n0.817441 0.060318 0.998393 N\n0.682559 0.060318 0.498393 N\n0.317441 0.939682 0.501607 N\n0.812902 0.043764 0.488323 N\n0.687098 0.043764 0.988323 N\n0.312902 0.956236 0.011677 N\n0.187098 0.956236 0.511677 N\n0.042408 0.727059 0.329901 O\n0.457592 0.727059 0.829901 O\n0.743175 0.739221 0.643484 O\n0.856358 0.518017 0.767407 O\n0.559418 0.727099 0.039570 O\n0.643642 0.518017 0.267407 O\n0.756825 0.739221 0.143484 O\n0.256825 0.260779 0.356516 O\n0.957592 0.272941 0.670099 O\n0.440582 0.272901 0.960430 O\n0.940582 0.727099 0.539570 O\n0.243175 0.260779 0.856516 O\n0.143642 0.481983 0.232593 O\n0.542408 0.272941 0.170099 O\n0.059418 0.272901 0.460430 O\n0.356358 0.481983 0.732593 O\n0.490457 0.401833 0.687293 F\n0.990457 0.598167 0.812707 F\n0.009543 0.401833 0.187293 F\n0.509543 0.598167 0.312707 F\n",
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{
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{
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"structure_string": "Mn2 H24 N4 Cl8 O4\n1.0\n-2.838769 -5.591220 4.219303\n6.266775 0.001661 4.217705\n-3.485366 5.679297 5.185180\nMn H N Cl O\n2 24 4 8 4\ndirect\n0.499639 0.500324 0.500340 Mn\n0.001169 0.000948 0.999644 Mn\n0.426037 0.426158 0.168288 H\n0.926353 0.926257 0.667621 H\n0.074250 0.074042 0.667316 H\n0.574063 0.573898 0.167833 H\n0.926170 0.073993 0.331978 H\n0.425540 0.573646 0.832861 H\n0.573498 0.425946 0.832171 H\n0.074203 0.926235 0.331874 H\n0.086218 0.570491 0.321331 H\n0.587476 0.070024 0.821311 H\n0.429167 0.911862 0.321050 H\n0.928238 0.413211 0.821098 H\n0.070337 0.412393 0.178991 H\n0.571156 0.912476 0.678499 H\n0.587910 0.928200 0.179139 H\n0.086666 0.429281 0.678906 H\n0.570883 0.086289 0.321453 H\n0.070144 0.587493 0.821127 H\n0.911865 0.428731 0.321088 H\n0.413285 0.928031 0.821224 H\n0.413558 0.069962 0.178482 H\n0.912463 0.571242 0.678467 H\n0.928648 0.586850 0.178551 H\n0.429231 0.086729 0.679198 H\n0.500391 0.999089 0.250030 N\n0.999389 0.500350 0.749890 N\n0.999287 0.499587 0.249989 N\n0.500302 0.999329 0.750062 N\n0.241793 0.241194 0.022036 Cl\n0.740330 0.741250 0.521565 Cl\n0.739721 0.259833 0.478043 Cl\n0.241140 0.759595 0.978029 Cl\n0.760034 0.241011 0.977736 Cl\n0.258609 0.741036 0.477940 Cl\n0.259146 0.260250 0.522840 Cl\n0.760782 0.760256 0.022126 Cl\n0.000787 0.000843 0.262693 O\n0.500167 0.500842 0.763244 O\n0.499657 0.500619 0.237202 O\n0.000298 0.000206 0.736737 O\n",
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{
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