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{
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"structure_string": "H16 C4 N2 Cl2\n1.0\n0.000000 4.397410 -0.039853\n5.918040 0.000000 0.000000\n0.000000 -0.446654 -8.068920\nH C N Cl\n16 4 2 2\ndirect\n0.031680 0.750000 0.974805 H\n0.252413 0.105276 0.126867 H\n0.298830 0.099063 0.440953 H\n0.793698 0.401412 0.279180 H\n0.206303 0.598588 0.720820 H\n0.206303 0.901412 0.720820 H\n0.747588 0.605276 0.873133 H\n0.701170 0.900937 0.559047 H\n0.252413 0.394724 0.126867 H\n0.701170 0.599063 0.559047 H\n0.747588 0.894724 0.873133 H\n0.022059 0.250000 0.551200 H\n0.977942 0.750000 0.448800 H\n0.298830 0.400937 0.440953 H\n0.968320 0.250000 0.025194 H\n0.793698 0.098588 0.279180 H\n0.152517 0.250000 0.438293 C\n0.939109 0.250000 0.285184 C\n0.847484 0.750000 0.561707 C\n0.060892 0.750000 0.714816 C\n0.116255 0.250000 0.131317 N\n0.883746 0.750000 0.868683 N\n0.396659 0.750000 0.161100 Cl\n0.603342 0.250000 0.838899 Cl\n",
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"structure_string": "H24 O12\n1.0\n6.504055 0.000000 0.000000\n0.000000 6.504055 0.000000\n0.000000 0.000000 6.592478\nH O\n24 12\ndirect\n0.480729 0.165900 0.534918 H\n0.292303 0.356208 0.112865 H\n0.707696 0.643791 0.612865 H\n0.143792 0.792303 0.362865 H\n0.856208 0.207696 0.862865 H\n0.356208 0.292303 0.887135 H\n0.643791 0.707696 0.387135 H\n0.792303 0.143792 0.637135 H\n0.116192 0.146962 0.298506 H\n0.883807 0.853038 0.798506 H\n0.353038 0.616192 0.548506 H\n0.646961 0.383807 0.048505 H\n0.207696 0.856208 0.137135 H\n0.853038 0.883807 0.201495 H\n0.383807 0.646961 0.951495 H\n0.616192 0.353038 0.451495 H\n0.980729 0.334099 0.215083 H\n0.019271 0.665900 0.715083 H\n0.165900 0.480729 0.465083 H\n0.834099 0.519270 0.965083 H\n0.334099 0.980729 0.784918 H\n0.665900 0.019271 0.284918 H\n0.519270 0.834099 0.034917 H\n0.146962 0.116192 0.701495 H\n0.199546 0.609669 0.541058 O\n0.800454 0.390330 0.041058 O\n0.300454 0.109669 0.708942 O\n0.699545 0.890330 0.208942 O\n0.390330 0.800454 0.958942 O\n0.889892 0.110107 0.750000 O\n0.389892 0.389892 0.000000 O\n0.610107 0.610107 0.500000 O\n0.110107 0.889892 0.250000 O\n0.890330 0.699545 0.791058 O\n0.609669 0.199546 0.458942 O\n0.109669 0.300454 0.291058 O\n",
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"structure_string": "K4 Al4 H16\n1.0\n5.733252 0.000000 0.000000\n0.000000 7.256121 0.000000\n0.000000 0.000000 8.702013\nK Al H\n4 4 16\ndirect\n0.750000 0.835691 0.824934 K\n0.250000 0.164309 0.175066 K\n0.250000 0.335691 0.675066 K\n0.750000 0.664309 0.324934 K\n0.250000 0.818825 0.570288 Al\n0.750000 0.181175 0.429712 Al\n0.750000 0.318825 0.929712 Al\n0.250000 0.681175 0.070288 Al\n0.250000 0.570533 0.906979 H\n0.750000 0.429467 0.093021 H\n0.250000 0.541290 0.217588 H\n0.750000 0.458710 0.782412 H\n0.750000 0.041290 0.282412 H\n0.250000 0.958710 0.717587 H\n0.480652 0.685848 0.581144 H\n0.519347 0.314152 0.418855 H\n0.519347 0.185848 0.918855 H\n0.019348 0.814152 0.081145 H\n0.250000 0.929467 0.406979 H\n0.019348 0.685848 0.581144 H\n0.480652 0.814152 0.081145 H\n0.980652 0.185848 0.918855 H\n0.980652 0.314152 0.418855 H\n0.750000 0.070533 0.593020 H\n",
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{
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"structure_string": "Al6 H18\n1.0\n5.414222 0.000000 -0.000000\n0.000000 5.809912 0.000000\n-0.000000 0.000000 7.391115\nAl H\n6 18\ndirect\n0.212055 0.000000 0.913108 Al\n0.787944 0.000000 0.086893 Al\n0.712055 0.500000 0.586893 Al\n0.000000 0.500000 0.000000 Al\n0.287944 0.500000 0.413107 Al\n0.500000 0.000000 0.500000 Al\n0.297697 0.201852 0.414671 H\n0.202303 0.298148 0.914672 H\n0.702303 0.201852 0.585329 H\n0.297697 0.798148 0.414671 H\n0.322624 0.000000 0.697595 H\n0.900394 0.000000 0.861527 H\n0.500000 0.000000 0.000000 H\n0.177376 0.500000 0.197594 H\n0.599605 0.500000 0.361527 H\n0.702303 0.798148 0.585329 H\n0.797697 0.298148 0.085329 H\n0.677376 0.000000 0.302406 H\n0.202303 0.701852 0.914672 H\n0.822624 0.500000 0.802406 H\n0.099606 0.000000 0.138473 H\n0.797697 0.701852 0.085329 H\n0.400394 0.500000 0.638474 H\n0.000000 0.500000 0.500000 H\n",
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"structure_string": "H32 C12 O8\n1.0\n5.671168 0.000000 -1.867471\n0.000000 7.762557 0.000000\n-0.076005 0.000000 8.967928\nH C O\n32 12 8\ndirect\n0.095441 0.800598 0.018232 H\n0.126994 0.982108 0.442328 H\n0.334051 0.738052 0.651311 H\n0.120079 0.427703 0.114813 H\n0.261384 0.971743 0.970855 H\n0.595441 0.699402 0.518232 H\n0.761385 0.528257 0.470855 H\n0.381336 0.942495 0.755476 H\n0.238615 0.471743 0.529145 H\n0.379921 0.927703 0.385187 H\n0.881336 0.557506 0.255476 H\n0.165948 0.238052 0.848689 H\n0.105829 0.978831 0.238541 H\n0.894171 0.021169 0.761460 H\n0.373006 0.482107 0.057672 H\n0.834052 0.761949 0.151311 H\n0.873006 0.017893 0.557672 H\n0.738615 0.028257 0.029145 H\n0.118663 0.442494 0.744525 H\n0.665949 0.261949 0.348689 H\n0.588350 0.207545 0.913944 H\n0.620078 0.072297 0.614813 H\n0.618664 0.057506 0.244525 H\n0.605829 0.521170 0.738541 H\n0.411650 0.792456 0.086056 H\n0.394171 0.478831 0.261459 H\n0.626993 0.517893 0.942329 H\n0.404559 0.300598 0.481768 H\n0.879921 0.572297 0.885187 H\n0.088350 0.292456 0.413944 H\n0.904558 0.199402 0.981768 H\n0.911649 0.707545 0.586056 H\n0.254858 0.831835 0.988727 C\n0.812421 0.083090 0.646525 C\n0.745141 0.168165 0.011274 C\n0.245141 0.331835 0.511274 C\n0.607246 0.198616 0.232589 C\n0.107245 0.301384 0.732589 C\n0.392754 0.801384 0.767412 C\n0.312422 0.416910 0.146525 C\n0.187578 0.916910 0.353475 C\n0.687578 0.583090 0.853476 C\n0.754859 0.668165 0.488727 C\n0.892754 0.698617 0.267412 C\n0.763375 0.260248 0.154264 O\n0.263374 0.239752 0.654264 O\n0.236625 0.739753 0.845736 O\n0.134345 0.735404 0.346923 O\n0.736626 0.760248 0.345736 O\n0.634345 0.764597 0.846923 O\n0.365655 0.235403 0.153077 O\n0.865655 0.264597 0.653077 O\n",
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"structure_string": "Li3 Mg3\n1.0\n3.422871 -0.000000 0.000000\n1.711436 7.288598 0.000000\n0.000000 0.000000 4.863497\nLi Mg\n3 3\ndirect\n0.305626 0.388746 0.000000 Li\n0.474846 0.050308 0.500000 Li\n0.136122 0.727756 0.500000 Li\n0.967961 0.064080 0.000000 Mg\n0.643282 0.713439 0.000000 Mg\n0.805499 0.389006 0.500000 Mg\n",
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{
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}