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{
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{
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{
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{
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"structure_string": "Lu2 H48 C8 N8 Cl14\n1.0\n7.726552 0.000000 0.000000\n0.000000 9.924359 0.000000\n0.000000 0.200653 13.218725\nLu H C N Cl\n2 48 8 8 14\ndirect\n0.999909 0.500000 0.500000 Lu\n0.009533 0.000000 0.000000 Lu\n0.508376 0.894083 0.054290 H\n0.139782 0.099236 0.720214 H\n0.118106 0.678827 0.874336 H\n0.118106 0.321173 0.125664 H\n0.127527 0.496670 0.887260 H\n0.651743 0.268992 0.299960 H\n0.373721 0.306504 0.453231 H\n0.821070 0.938859 0.405830 H\n0.556149 0.784353 0.530715 H\n0.130541 0.841907 0.408575 H\n0.127527 0.503330 0.112740 H\n0.403046 0.750736 0.038798 H\n0.514043 0.661672 0.200225 H\n0.635953 0.814908 0.210424 H\n0.829077 0.573481 0.918117 H\n0.839812 0.491123 0.809849 H\n0.130541 0.158093 0.591425 H\n0.514043 0.338328 0.799775 H\n0.508376 0.105917 0.945710 H\n0.860380 0.187244 0.673441 H\n0.857951 0.973112 0.282686 H\n0.556149 0.215647 0.469285 H\n0.445231 0.651369 0.723270 H\n0.616345 0.250666 0.963459 H\n0.445231 0.348631 0.276730 H\n0.857951 0.026888 0.717314 H\n0.839812 0.508877 0.190151 H\n0.860380 0.812756 0.326559 H\n0.821070 0.061141 0.594170 H\n0.116936 0.574948 0.764521 H\n0.116936 0.425052 0.235479 H\n0.635953 0.185092 0.789576 H\n0.139782 0.900764 0.279786 H\n0.458603 0.171104 0.303683 H\n0.832559 0.659217 0.809790 H\n0.403046 0.249264 0.961202 H\n0.564284 0.383784 0.448029 H\n0.829077 0.426519 0.081883 H\n0.832559 0.340783 0.190210 H\n0.404907 0.181096 0.783130 H\n0.373721 0.693496 0.546769 H\n0.616345 0.749334 0.036541 H\n0.404907 0.818904 0.216870 H\n0.651743 0.731008 0.700040 H\n0.121024 0.979181 0.620780 H\n0.564284 0.616216 0.551971 H\n0.458603 0.828896 0.696317 H\n0.121024 0.020819 0.379220 H\n0.086430 0.919315 0.354905 C\n0.513839 0.269703 0.319270 C\n0.076696 0.582250 0.843372 C\n0.076696 0.417750 0.156628 C\n0.086430 0.080685 0.645095 C\n0.515803 0.229790 0.816802 C\n0.515803 0.770210 0.183198 C\n0.513839 0.730297 0.680730 C\n0.500255 0.703838 0.570944 N\n0.895441 0.088993 0.657169 N\n0.500255 0.296162 0.429056 N\n0.511026 0.207325 0.928627 N\n0.895441 0.911007 0.342831 N\n0.884058 0.575928 0.845903 N\n0.884058 0.424072 0.154097 N\n0.511026 0.792675 0.071373 N\n0.751401 0.417099 0.624672 Cl\n0.613291 0.000000 0.500000 Cl\n0.978683 0.770324 0.094555 Cl\n0.239876 0.587549 0.382783 Cl\n0.978683 0.229676 0.905445 Cl\n0.239876 0.412451 0.617217 Cl\n0.994981 0.272132 0.408015 Cl\n0.255702 0.083051 0.115269 Cl\n0.255702 0.916949 0.884731 Cl\n0.587967 0.500000 0.000000 Cl\n0.751401 0.582901 0.375328 Cl\n0.994981 0.727868 0.591985 Cl\n0.772064 0.912554 0.871823 Cl\n0.772064 0.087446 0.128177 Cl\n",
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{
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"structure_string": "Mo3 W1 Se4 S4\n1.0\n1.629074 -2.821638 0.000000\n1.629074 2.821638 0.000000\n0.000000 0.000000 36.469152\nMo W Se S\n3 1 4 4\ndirect\n0.000000 0.000000 0.093918 Mo\n0.333333 0.666667 0.281790 Mo\n0.333333 0.666667 0.657571 Mo\n0.000000 0.000000 0.469632 W\n0.000000 0.000000 0.704086 Se\n0.333333 0.666667 0.422838 Se\n0.333333 0.666667 0.516439 Se\n0.000000 0.000000 0.611063 Se\n0.000000 0.000000 0.324110 S\n0.333333 0.666667 0.051581 S\n0.333333 0.666667 0.136252 S\n0.000000 0.000000 0.239467 S\n",
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{
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{
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