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"id": "jvasp-112199",
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"structure_string": "Cd1 H18 C11 O4\n1.0\n3.907098 -0.070667 -0.045692\n-1.063459 4.351733 -0.306983\n0.214205 0.023305 15.949988\nCd H C O\n1 18 11 4\ndirect\n0.763489 0.892583 0.158320 Cd\n0.909597 0.554569 0.482872 H\n0.902642 0.087467 0.386064 H\n0.640606 -0.003602 0.883056 H\n0.449308 0.008576 0.694484 H\n0.878926 0.021807 0.730430 H\n0.668236 0.036278 0.541780 H\n0.095526 0.044334 0.578561 H\n0.334213 0.559524 0.520024 H\n0.217264 0.991530 0.842931 H\n0.253190 0.500275 0.931830 H\n0.646704 0.455831 0.978531 H\n0.466300 0.501945 0.782350 H\n0.890952 0.507796 0.820205 H\n0.679022 0.520000 0.632277 H\n0.108838 0.533679 0.668074 H\n0.176405 0.600264 0.330057 H\n0.579091 0.616905 0.380217 H\n0.313328 0.070703 0.427712 H\n0.087322 0.230352 0.074518 C\n0.401267 0.330410 0.945039 C\n0.470196 0.145369 0.866495 C\n0.638233 0.351620 0.797096 C\n0.701696 0.168408 0.716504 C\n0.152991 0.231328 0.413998 C\n0.920578 0.193303 0.564866 C\n0.082699 0.403523 0.495932 C\n0.343145 0.454905 0.350856 C\n0.467087 0.308808 0.272076 C\n0.856732 0.373458 0.645957 C\n0.185368 0.108962 0.000376 O\n0.709668 0.470691 0.228827 O\n0.338796 0.020544 0.251669 O\n0.192809 0.512051 0.092631 O\n",
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"structure_string": "Te2 Mo2 W1 Se4\n1.0\n3.404714 -0.000004 -0.000433\n-1.702360 2.948630 0.003847\n-0.003434 0.033172 26.903967\nTe Mo W Se\n2 2 1 4\ndirect\n0.667301 0.335054 0.529559 Te\n0.666432 0.332651 0.668823 Te\n0.332964 0.665740 0.099782 Mo\n0.333546 0.667199 0.599261 Mo\n0.666806 0.333685 0.341909 W\n0.332838 0.665482 0.403450 Se\n0.667042 0.334148 0.038608 Se\n0.665560 0.330682 0.161046 Se\n0.334112 0.668562 0.280404 Se\n",
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{
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"structure_string": "Na2 Li1 Sm1 Cl6\n1.0\n6.283642 0.000000 3.627863\n2.094547 5.924275 3.627863\n-0.000000 -0.000000 7.255725\nNa Li Sm Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Sm\n0.741008 0.258991 0.258991 Cl\n0.258991 0.258991 0.741008 Cl\n0.258992 0.741008 0.741008 Cl\n0.258992 0.741008 0.258991 Cl\n0.741008 0.258991 0.741008 Cl\n0.741009 0.741008 0.258991 Cl\n",
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"structure_string": "Rb1 In6 Au4\n1.0\n4.135388 -7.162702 -0.000000\n4.135388 7.162702 0.000000\n0.000000 0.000000 4.559518\nRb In Au\n1 6 4\ndirect\n0.000000 0.000000 0.000000 Rb\n0.393626 0.196813 0.500000 In\n0.803187 0.606374 0.500000 In\n0.803187 0.196813 0.500000 In\n0.070535 0.535268 0.000000 In\n0.464733 0.929466 0.000000 In\n0.464732 0.535268 0.000000 In\n0.666667 0.333333 0.000000 Au\n0.592190 0.796096 0.500000 Au\n0.203905 0.407810 0.500000 Au\n0.203905 0.796095 0.500000 Au\n",
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{
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"structure_string": "Rb2 Li1 Tl1 Cl6\n1.0\n0.000000 5.130811 5.130811\n5.130811 0.000000 5.130811\n5.130811 5.130811 0.000000\nRb Li Tl Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Tl\n0.245946 0.754054 0.754054 Cl\n0.245946 0.754054 0.245946 Cl\n0.754054 0.245946 0.754054 Cl\n0.754054 0.754054 0.245946 Cl\n0.245946 0.245946 0.754054 Cl\n0.754054 0.245946 0.245946 Cl\n",
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"structure_string": "Rb1 In6 Au4\n1.0\n8.270572 -0.000000 0.000000\n-4.135286 7.162525 -0.000000\n-0.000000 0.000000 4.560261\nRb In Au\n1 6 4\ndirect\n0.000000 0.000000 0.000000 Rb\n0.535262 0.464738 0.000000 In\n0.196816 0.803184 0.500000 In\n0.535262 0.070524 0.000000 In\n0.196816 0.393632 0.500000 In\n0.929476 0.464738 0.000000 In\n0.606368 0.803184 0.500000 In\n0.796064 0.203936 0.500000 Au\n0.333333 0.666667 0.000000 Au\n0.796064 0.592129 0.500000 Au\n0.407871 0.203936 0.500000 Au\n",
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"structure_string": "Zn1 H18 C11 O4\n1.0\n4.371457 -0.014054 -0.030291\n-2.071438 4.366397 -0.595797\n-0.113023 -0.312230 14.219866\nZn H C O\n1 18 11 4\ndirect\n0.270029 0.768199 0.838084 Zn\n0.440913 0.922785 0.548663 H\n0.911631 0.458032 0.582178 H\n0.070849 0.702428 0.057027 H\n0.162666 0.028185 0.260183 H\n0.457895 0.897329 0.214511 H\n0.543147 0.249879 0.418340 H\n0.826092 0.106054 0.371349 H\n0.724197 0.781799 0.500985 H\n0.753285 0.792891 0.107870 H\n0.361304 0.207543 0.080883 H\n0.670425 0.152239 0.014712 H\n0.710287 0.474272 0.234080 H\n0.008219 0.357469 0.182431 H\n0.069622 0.712102 0.391068 H\n0.353808 0.568970 0.344527 H\n0.090988 -0.033839 0.648938 H\n0.325121 0.368032 0.690253 H\n0.191008 0.327557 0.524885 H\n0.406398 0.367952 0.950098 C\n0.572050 0.322488 0.037247 C\n0.844109 0.612960 0.096770 C\n0.937008 0.551052 0.193355 C\n0.225885 0.829886 0.252829 C\n0.969542 0.257505 0.567447 C\n0.596443 0.045997 0.410652 C\n0.669644 0.985046 0.509267 C\n0.074828 0.186864 0.661942 C\n0.822695 0.166113 0.735356 C\n0.299567 0.772362 0.351907 C\n0.459492 0.642402 0.942259 O\n0.841959 0.409052 0.788100 O\n0.584358 0.898715 0.737791 O\n0.206462 0.133727 0.890995 O\n",
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