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{
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{
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{
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{
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"structure_string": "Lu2 H36 C6 S6 O36 F18\n1.0\n6.737998 -11.670554 0.000000\n6.737998 11.670554 0.000000\n0.000000 0.000000 7.674769\nLu H C S O F\n2 36 6 6 36 18\ndirect\n0.333333 0.666667 0.250000 Lu\n0.666667 0.333333 0.750000 Lu\n0.348238 0.441993 0.146057 H\n0.906245 0.348238 0.646057 H\n0.441993 0.093755 0.646057 H\n0.558007 0.906245 0.146057 H\n0.093755 0.651762 0.146057 H\n0.651762 0.558007 0.646057 H\n0.651762 0.558007 0.853943 H\n0.093755 0.651762 0.353943 H\n0.558007 0.906245 0.353943 H\n0.441993 0.093755 0.853943 H\n0.906245 0.348238 0.853943 H\n0.348238 0.441993 0.353943 H\n0.129030 0.488241 0.435479 H\n0.640789 0.129030 0.935479 H\n0.488241 0.359211 0.935479 H\n0.511759 0.640789 0.435479 H\n0.359211 0.870970 0.435479 H\n0.870970 0.511759 0.935479 H\n0.870970 0.511759 0.564521 H\n0.359211 0.870970 0.064521 H\n0.511759 0.640789 0.064521 H\n0.488241 0.359211 0.564521 H\n0.640789 0.129030 0.564521 H\n0.129030 0.488241 0.064521 H\n0.234629 0.516064 0.558831 H\n0.718564 0.234629 0.058831 H\n0.516064 0.281436 0.058831 H\n0.483936 0.718564 0.558831 H\n0.281436 0.765371 0.558831 H\n0.765371 0.483936 0.058831 H\n0.765371 0.483936 0.441169 H\n0.281436 0.765371 0.941169 H\n0.483936 0.718564 0.941169 H\n0.516064 0.281436 0.441169 H\n0.718564 0.234629 0.441169 H\n0.234629 0.516064 0.941169 H\n0.183904 0.239997 0.750000 C\n0.943907 0.183904 0.250000 C\n0.239997 0.056093 0.250000 C\n0.760003 0.943907 0.750000 C\n0.056093 0.816096 0.750000 C\n0.816096 0.760003 0.250000 C\n0.312508 0.386940 0.750000 S\n0.925568 0.312508 0.250000 S\n0.386940 0.074432 0.250000 S\n0.613060 0.925568 0.750000 S\n0.074432 0.687492 0.750000 S\n0.687492 0.613060 0.250000 S\n0.346461 0.483382 0.250000 O\n0.863079 0.346461 0.750000 O\n0.483382 0.136921 0.750000 O\n0.516618 0.863079 0.250000 O\n0.136921 0.653539 0.250000 O\n0.653539 0.516618 0.750000 O\n0.210055 0.544874 0.458808 O\n0.665181 0.210055 0.958808 O\n0.544874 0.334819 0.958808 O\n0.455126 0.665181 0.458808 O\n0.334819 0.789945 0.458808 O\n0.789945 0.455126 0.958808 O\n0.789945 0.455126 0.541192 O\n0.334819 0.789945 0.041192 O\n0.455126 0.665181 0.041192 O\n0.544874 0.334819 0.541192 O\n0.665181 0.210055 0.541192 O\n0.210055 0.544874 0.041192 O\n0.262560 0.462168 0.750000 O\n0.800392 0.262560 0.250000 O\n0.462168 0.199608 0.250000 O\n0.537832 0.800392 0.750000 O\n0.199608 0.737440 0.750000 O\n0.737440 0.537832 0.250000 O\n0.372848 0.392002 0.588779 O\n0.980846 0.372848 0.088779 O\n0.392002 0.019154 0.088779 O\n0.607998 0.980846 0.588779 O\n0.019154 0.627152 0.588779 O\n0.627152 0.607998 0.088779 O\n0.627152 0.607998 0.411221 O\n0.019154 0.627152 0.911221 O\n0.607998 0.980846 0.911221 O\n0.392002 0.019154 0.411221 O\n0.980846 0.372848 0.411221 O\n0.372848 0.392002 0.911221 O\n0.216273 0.159960 0.750000 F\n0.056313 0.216273 0.250000 F\n0.159960 0.943687 0.250000 F\n0.840040 0.056313 0.750000 F\n0.943687 0.783727 0.750000 F\n0.783727 0.840040 0.250000 F\n0.119478 0.225526 0.606900 F\n0.893952 0.119478 0.106900 F\n0.225526 0.106048 0.106900 F\n0.774474 0.893952 0.606900 F\n0.106048 0.880522 0.606900 F\n0.880522 0.774474 0.106900 F\n0.880522 0.774474 0.393100 F\n0.106048 0.880522 0.893100 F\n0.774474 0.893952 0.893100 F\n0.225526 0.106048 0.393100 F\n0.893952 0.119478 0.393100 F\n0.119478 0.225526 0.893100 F\n",
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