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{
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{
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"structure_string": "Al20 Cu10 O40\n1.0\n2.874422 5.006587 0.000000\n-2.874422 5.006587 0.000000\n0.000000 3.117418 23.505950\nAl Cu O\n20 10 40\ndirect\n0.652598 0.652598 0.050553 Al\n0.120740 0.628746 0.125393 Al\n0.254478 0.254478 0.249205 Al\n0.325264 0.325264 0.023402 Al\n0.628746 0.120740 0.125393 Al\n0.720520 0.228932 0.325556 Al\n0.924147 0.924147 0.223762 Al\n0.854469 0.854469 0.449130 Al\n0.228932 0.720520 0.325556 Al\n0.320566 0.829090 0.525453 Al\n0.524188 0.524188 0.423866 Al\n0.454923 0.454923 0.648037 Al\n0.829090 0.320566 0.525453 Al\n0.920859 0.427915 0.725720 Al\n0.125349 0.125349 0.623922 Al\n0.523067 0.523067 0.925336 Al\n0.427915 0.920859 0.725720 Al\n0.722387 0.722387 0.826610 Al\n0.522862 0.027372 0.925191 Al\n0.027372 0.522862 0.925191 Al\n0.000628 0.000628 0.999003 Cu\n0.599071 0.599071 0.200202 Cu\n0.120353 0.120353 0.125312 Cu\n0.198892 0.198892 0.400254 Cu\n0.720051 0.720051 0.325687 Cu\n0.799054 0.799054 0.600915 Cu\n0.320203 0.320203 0.525403 Cu\n0.399556 0.399556 0.800797 Cu\n0.921140 0.921140 0.725922 Cu\n0.048339 0.048339 0.849508 Cu\n0.996896 0.481708 0.073843 O\n0.481708 0.996896 0.073843 O\n0.286371 0.286371 0.171188 O\n0.792985 0.792985 0.171938 O\n0.596276 0.080433 0.273953 O\n0.466395 0.466395 0.077087 O\n0.886952 0.886952 0.370919 O\n0.080433 0.596276 0.273953 O\n0.780362 0.236892 0.174210 O\n0.963007 0.963007 0.082102 O\n0.392854 0.392854 0.372163 O\n0.236892 0.780362 0.174210 O\n0.067600 0.067600 0.276076 O\n0.196087 0.680607 0.473774 O\n0.680607 0.196087 0.473774 O\n0.379752 0.837307 0.374329 O\n0.562372 0.562372 0.282783 O\n0.487531 0.487531 0.569796 O\n0.993249 0.993249 0.571895 O\n0.794957 0.283847 0.672447 O\n0.667939 0.667939 0.475609 O\n0.837307 0.379752 0.374329 O\n0.283847 0.794957 0.672447 O\n0.086769 0.086769 0.763308 O\n0.980149 0.438788 0.573815 O\n0.162666 0.162666 0.482656 O\n0.593184 0.593184 0.772404 O\n0.412992 0.850935 0.880456 O\n0.271091 0.271091 0.673880 O\n0.438788 0.980149 0.573815 O\n0.850935 0.412992 0.880456 O\n0.577660 0.037416 0.775689 O\n0.674518 0.674518 0.973714 O\n0.765651 0.765651 0.683769 O\n0.195905 0.195905 0.972490 O\n0.851358 0.851358 0.880640 O\n0.037416 0.577660 0.775689 O\n0.370591 0.370591 0.884340 O\n0.196783 0.635514 0.972395 O\n0.635514 0.196783 0.972395 O\n",
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{
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"structure_string": "Mg12 B8 H36 S4 O52 F4\n1.0\n9.010091 0.000000 0.000000\n0.000000 10.191390 0.000000\n0.000000 0.000000 13.241635\nMg B H S O F\n12 8 36 4 52 4\ndirect\n0.658264 0.940866 0.250000 Mg\n0.158264 0.559134 0.250000 Mg\n0.341736 0.059134 0.750000 Mg\n0.841736 0.440866 0.750000 Mg\n0.615057 0.122357 0.606393 Mg\n0.115057 0.377643 0.893607 Mg\n0.384943 0.877643 0.106393 Mg\n0.884943 0.622357 0.393607 Mg\n0.384943 0.877643 0.393607 Mg\n0.884943 0.622357 0.106393 Mg\n0.615057 0.122357 0.893607 Mg\n0.115057 0.377643 0.606393 Mg\n0.802610 0.362107 0.514797 B\n0.302610 0.137893 0.985203 B\n0.197390 0.637893 0.014797 B\n0.697390 0.862107 0.485203 B\n0.197390 0.637893 0.485203 B\n0.697390 0.862107 0.014797 B\n0.802610 0.362107 0.985203 B\n0.302610 0.137893 0.514797 B\n0.630405 0.703590 0.359637 H\n0.130405 0.796410 0.140363 H\n0.369595 0.296410 0.859637 H\n0.869595 0.203590 0.640363 H\n0.369595 0.296410 0.640363 H\n0.869595 0.203590 0.859637 H\n0.630405 0.703590 0.140363 H\n0.130405 0.796410 0.359637 H\n0.620072 0.293226 0.441901 H\n0.120072 0.206774 0.058099 H\n0.379928 0.706774 0.941901 H\n0.879928 0.793226 0.558099 H\n0.379928 0.706774 0.558099 H\n0.879928 0.793226 0.941901 H\n0.620072 0.293226 0.058099 H\n0.120072 0.206774 0.441901 H\n0.834655 0.382245 0.139943 H\n0.334655 0.117755 0.360057 H\n0.165345 0.617755 0.639943 H\n0.665345 0.882245 0.860057 H\n0.165345 0.617755 0.860057 H\n0.665345 0.882245 0.639943 H\n0.834655 0.382245 0.360057 H\n0.334655 0.117755 0.139943 H\n0.937293 0.989756 0.307208 H\n0.437293 0.510244 0.192792 H\n0.062707 0.010244 0.807208 H\n0.562707 0.489756 0.692792 H\n0.062707 0.010244 0.692792 H\n0.562707 0.489756 0.807208 H\n0.937293 0.989756 0.192792 H\n0.437293 0.510244 0.307208 H\n0.325257 0.382220 0.750000 H\n0.825257 0.117780 0.750000 H\n0.674743 0.617780 0.250000 H\n0.174743 0.882220 0.250000 H\n0.014746 0.261542 0.250000 S\n0.514746 0.238458 0.250000 S\n0.985254 0.738458 0.750000 S\n0.485254 0.761542 0.750000 S\n0.970969 0.821235 0.658019 O\n0.470969 0.678765 0.841981 O\n0.029031 0.178765 0.158019 O\n0.529031 0.321235 0.341981 O\n0.029031 0.178765 0.341981 O\n0.529031 0.321235 0.158019 O\n0.970969 0.821235 0.841981 O\n0.470969 0.678765 0.658019 O\n0.863373 0.325269 0.250000 O\n0.363373 0.174731 0.250000 O\n0.136627 0.674731 0.750000 O\n0.636627 0.825269 0.750000 O\n0.628311 0.132589 0.250000 O\n0.128311 0.367411 0.250000 O\n0.371689 0.867411 0.750000 O\n0.871689 0.632589 0.750000 O\n0.620989 0.878788 0.398262 O\n0.120989 0.621212 0.101738 O\n0.379011 0.121212 0.898262 O\n0.879011 0.378788 0.601738 O\n0.379011 0.121212 0.601738 O\n0.879011 0.378788 0.898262 O\n0.620989 0.878788 0.101738 O\n0.120989 0.621212 0.398262 O\n0.821900 0.120727 0.658195 O\n0.321900 0.379273 0.841805 O\n0.178100 0.879273 0.158195 O\n0.678100 0.620727 0.341805 O\n0.178100 0.879273 0.341805 O\n0.678100 0.620727 0.158195 O\n0.821900 0.120727 0.841805 O\n0.321900 0.379273 0.658195 O\n0.675252 0.281724 0.508778 O\n0.175252 0.218276 0.991222 O\n0.324748 0.718276 0.008778 O\n0.824748 0.781724 0.491222 O\n0.324748 0.718276 0.491222 O\n0.824748 0.781724 0.008778 O\n0.675252 0.281724 0.991222 O\n0.175252 0.218276 0.508778 O\n0.117063 0.049250 0.750000 O\n0.617063 0.450750 0.750000 O\n0.882937 0.950750 0.250000 O\n0.382937 0.549250 0.250000 O\n0.145144 0.574587 0.571613 O\n0.645144 0.925413 0.928387 O\n0.854856 0.425413 0.071613 O\n0.354856 0.074587 0.428387 O\n0.854856 0.425413 0.428387 O\n0.354856 0.074587 0.071613 O\n0.145144 0.574587 0.928387 O\n0.645144 0.925413 0.571613 O\n0.049422 0.372514 0.750000 F\n0.549422 0.127486 0.750000 F\n0.950578 0.627486 0.250000 F\n0.450578 0.872514 0.250000 F\n",
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{
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