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{
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{
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{
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{
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"structure_string": "Na3 Sc1 Cl6\n1.0\n0.000000 5.166916 5.166916\n5.166916 0.000000 5.166916\n5.166916 5.166916 0.000000\nNa Sc Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sc\n0.760035 0.239965 0.239965 Cl\n0.239965 0.239965 0.760035 Cl\n0.239965 0.760035 0.760035 Cl\n0.239965 0.760035 0.239965 Cl\n0.760035 0.239965 0.760035 Cl\n0.760035 0.760035 0.239965 Cl\n",
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{
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"structure_string": "Cr8 B24 H24 O72\n1.0\n9.312844 0.000000 0.000000\n0.000000 11.764621 0.000000\n0.000000 0.000000 14.274382\nCr B H O\n8 24 24 72\ndirect\n0.343698 0.235510 0.324850 Cr\n0.656302 0.235510 0.824850 Cr\n0.156302 0.264490 0.824850 Cr\n0.843698 0.264490 0.324850 Cr\n0.156302 0.735510 0.675150 Cr\n0.843698 0.735510 0.175150 Cr\n0.343698 0.764490 0.175150 Cr\n0.656302 0.764490 0.675150 Cr\n0.966385 0.147892 0.580703 B\n0.033615 0.147892 0.080703 B\n0.532575 0.144572 0.074306 B\n0.467425 0.144572 0.574306 B\n0.909378 0.245637 0.950230 B\n0.090622 0.245637 0.450230 B\n0.409378 0.254363 0.950230 B\n0.590622 0.254363 0.450230 B\n0.032575 0.355428 0.074306 B\n0.967425 0.355428 0.574306 B\n0.533615 0.352108 0.080703 B\n0.466385 0.352108 0.580703 B\n0.466385 0.647892 0.919297 B\n0.533615 0.647892 0.419297 B\n0.032575 0.644572 0.425694 B\n0.967425 0.644572 0.925694 B\n0.409378 0.745637 0.549770 B\n0.590622 0.745637 0.049770 B\n0.090622 0.754363 0.049770 B\n0.909378 0.754363 0.549770 B\n0.467425 0.855428 0.925694 B\n0.532575 0.855428 0.425694 B\n0.033615 0.852108 0.419297 B\n0.966385 0.852108 0.919297 B\n0.064229 0.983246 0.086860 H\n0.935771 0.983246 0.586860 H\n0.562669 0.022592 0.422535 H\n0.437331 0.022592 0.922535 H\n0.296545 0.203874 0.694542 H\n0.703455 0.203874 0.194542 H\n0.203455 0.296126 0.194542 H\n0.796545 0.296126 0.694542 H\n0.062669 0.477408 0.422535 H\n0.937331 0.477408 0.922535 H\n0.564229 0.516754 0.086860 H\n0.435771 0.516754 0.586860 H\n0.435771 0.483246 0.913140 H\n0.564229 0.483246 0.413140 H\n0.062669 0.522592 0.077465 H\n0.937331 0.522592 0.577465 H\n0.796545 0.703874 0.805458 H\n0.203455 0.703874 0.305458 H\n0.296545 0.796126 0.805458 H\n0.703455 0.796126 0.305458 H\n0.437331 0.977408 0.577465 H\n0.562669 0.977408 0.077465 H\n0.064229 0.016754 0.413140 H\n0.935771 0.016754 0.913140 H\n0.417709 0.047724 0.612972 O\n0.582291 0.047724 0.112972 O\n0.086312 0.053130 0.121607 O\n0.913688 0.053130 0.621607 O\n0.328482 0.108909 0.289404 O\n0.671518 0.108909 0.789404 O\n0.945377 0.145331 0.002561 O\n0.054623 0.145331 0.502561 O\n0.550131 0.148332 0.493941 O\n0.449869 0.148332 0.993941 O\n0.781317 0.175401 0.238623 O\n0.218683 0.175401 0.738623 O\n0.016285 0.235099 0.353548 O\n0.983715 0.235099 0.853548 O\n0.246179 0.250581 0.425409 O\n0.753821 0.250581 0.925409 O\n0.427662 0.246038 0.619459 O\n0.572338 0.246038 0.119459 O\n0.072338 0.253962 0.119459 O\n0.927662 0.253962 0.619459 O\n0.746179 0.249419 0.425409 O\n0.253821 0.249419 0.925409 O\n0.483715 0.264901 0.853548 O\n0.516285 0.264901 0.353548 O\n0.281317 0.324599 0.238623 O\n0.718683 0.324599 0.738623 O\n0.050131 0.351668 0.493941 O\n0.949869 0.351668 0.993941 O\n0.554623 0.354669 0.502561 O\n0.445377 0.354669 0.002561 O\n0.828482 0.391091 0.289404 O\n0.171518 0.391091 0.789404 O\n0.586312 0.446870 0.121607 O\n0.413688 0.446870 0.621607 O\n0.082291 0.452276 0.112972 O\n0.917709 0.452276 0.612972 O\n0.082291 0.547724 0.387028 O\n0.917709 0.547724 0.887028 O\n0.586312 0.553130 0.378393 O\n0.413688 0.553130 0.878393 O\n0.828482 0.608909 0.210596 O\n0.171518 0.608909 0.710596 O\n0.445377 0.645331 0.497439 O\n0.554623 0.645331 0.997439 O\n0.050131 0.648332 0.006059 O\n0.949869 0.648332 0.506059 O\n0.281317 0.675401 0.261377 O\n0.718683 0.675401 0.761377 O\n0.483715 0.735099 0.646452 O\n0.516285 0.735099 0.146452 O\n0.253821 0.750581 0.574591 O\n0.746179 0.750581 0.074591 O\n0.927662 0.746038 0.880541 O\n0.072338 0.746038 0.380541 O\n0.427662 0.753962 0.880541 O\n0.572338 0.753962 0.380541 O\n0.246179 0.749419 0.074591 O\n0.753821 0.749419 0.574591 O\n0.016285 0.764901 0.146452 O\n0.983715 0.764901 0.646452 O\n0.218683 0.824599 0.761377 O\n0.781317 0.824599 0.261377 O\n0.449869 0.851668 0.506059 O\n0.550131 0.851668 0.006059 O\n0.054623 0.854669 0.997439 O\n0.945377 0.854669 0.497439 O\n0.328482 0.891091 0.210596 O\n0.671518 0.891091 0.710596 O\n0.086312 0.946870 0.378393 O\n0.913688 0.946870 0.878393 O\n0.417709 0.952276 0.887028 O\n0.582291 0.952276 0.387028 O\n",
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{
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{
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{
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}