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"structure_string": "Sn1 H18 C10 O6\n1.0\n4.764775 -0.035648 0.676569\n-0.118911 6.205529 1.933976\n-0.069304 0.278991 10.276587\nSn H C O\n1 18 10 6\ndirect\n0.552879 0.590947 0.102814 Sn\n0.966829 0.645879 0.537914 H\n0.693821 0.606186 0.862320 H\n0.003065 0.723732 0.684844 H\n0.275542 0.063707 0.517029 H\n0.910375 0.058651 0.510000 H\n0.966255 0.990725 0.294201 H\n0.304534 0.876170 0.317516 H\n0.419390 0.078547 0.738001 H\n0.829369 0.554113 0.290905 H\n0.289095 0.376826 0.518794 H\n0.636578 0.377427 0.553271 H\n0.528161 0.739959 0.484559 H\n0.489331 0.675758 0.666724 H\n0.085747 0.235370 0.998078 H\n0.754388 0.119799 0.992646 H\n0.935277 0.378741 0.766408 H\n0.918515 0.116954 0.751793 H\n0.459323 0.287723 0.809433 H\n0.979904 0.127709 0.955976 C\n0.031626 0.219303 0.795557 C\n0.397692 0.646769 0.581461 C\n0.419053 0.405565 0.592090 C\n0.344054 0.240246 0.737833 C\n0.107897 0.979623 0.489277 C\n0.101036 0.739235 0.578698 C\n0.308275 0.216914 0.250071 C\n0.092888 0.903555 0.004848 C\n0.165055 0.003583 0.332959 C\n0.171614 0.396498 0.218963 O\n0.528563 0.533833 0.925801 O\n0.673602 0.651654 0.264772 O\n0.965099 0.741851 0.992333 O\n0.330792 0.884351 0.052256 O\n0.572484 0.229945 0.209211 O\n",
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{
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"structure_string": "Bi14 Te13 S8\n1.0\n10.073923 0.076939 6.717690\n3.634512 9.395754 6.717689\n0.111343 0.076941 12.107803\nBi Te S\n14 13 8\ndirect\n0.392555 0.392555 0.392555 Bi\n0.886125 0.186279 0.742352 Bi\n0.536857 0.680959 0.952930 Bi\n0.113874 0.813720 0.257648 Bi\n0.463142 0.319041 0.047071 Bi\n0.680959 0.952929 0.536858 Bi\n0.047070 0.463142 0.319041 Bi\n0.186279 0.742352 0.886126 Bi\n0.813720 0.257648 0.113875 Bi\n0.319041 0.047071 0.463142 Bi\n0.952929 0.536858 0.680959 Bi\n0.607445 0.607445 0.607445 Bi\n0.257648 0.113874 0.813721 Bi\n0.742352 0.886125 0.186280 Bi\n0.485578 0.790129 0.367325 Te\n0.066666 0.358607 0.929439 Te\n0.632675 0.514421 0.209870 Te\n0.358607 0.929439 0.066667 Te\n0.070561 0.933333 0.641393 Te\n0.641392 0.070561 0.933334 Te\n0.514421 0.209870 0.632676 Te\n0.209870 0.632675 0.514422 Te\n0.790129 0.367324 0.485579 Te\n0.933333 0.641392 0.070561 Te\n0.929439 0.066666 0.358607 Te\n0.367324 0.485578 0.790130 Te\n0.000000 0.000000 0.000000 Te\n0.861290 0.707608 0.428630 S\n0.292391 0.571371 0.138710 S\n0.769373 0.769373 0.769374 S\n0.571371 0.138709 0.292392 S\n0.707608 0.428629 0.861291 S\n0.428629 0.861290 0.707609 S\n0.138709 0.292391 0.571371 S\n0.230626 0.230626 0.230626 S\n",
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"structure_string": "Ni1 H16 C4 S4 N8 Cl2\n1.0\n-4.801061 4.801061 4.363707\n4.801061 -4.801061 4.363707\n4.801061 4.801061 -4.363707\nNi H C S N Cl\n1 16 4 4 8 2\ndirect\n-0.000161 -0.000161 -0.000000 Ni\n0.936261 0.943789 0.330968 H\n0.612819 0.605292 0.669031 H\n0.943789 0.612819 0.007527 H\n0.605292 0.936261 0.992473 H\n0.036031 0.028619 0.585608 H\n0.443012 0.450423 0.414391 H\n0.028619 0.443012 0.992588 H\n0.450423 0.036031 0.007412 H\n0.404751 0.616766 0.222088 H\n0.182662 0.404750 0.787984 H\n0.616766 0.394678 0.212016 H\n0.551911 0.198147 0.663595 H\n0.534552 0.888316 0.336405 H\n0.198147 0.534552 0.646236 H\n0.888316 0.551911 0.353764 H\n0.394678 0.182662 0.777912 H\n0.247353 0.074273 0.478127 C\n0.596146 0.769225 0.521873 C\n0.769225 0.247354 0.173080 C\n0.074273 0.596145 0.826920 C\n0.008318 0.284350 0.228953 S\n0.055396 0.779364 0.771046 S\n0.779364 0.008318 0.723968 S\n0.284350 0.055396 0.276032 S\n0.757482 0.410494 0.251453 N\n0.159041 0.506028 0.748547 N\n0.506029 0.757482 0.346986 N\n0.410494 0.159041 0.653013 N\n0.594800 0.060223 0.051442 N\n0.008780 0.543358 0.948558 N\n0.543358 0.594800 0.534578 N\n0.060222 0.008780 0.465422 N\n0.722544 0.722544 0.000000 Cl\n0.288557 0.288557 0.000000 Cl\n",
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"structure_string": "Zn2 H12 C4 N8 O8\n1.0\n6.193585 0.000000 -2.295582\n0.000000 5.037858 0.000000\n0.247348 0.000000 9.027577\nZn H C N O\n2 12 4 8 8\ndirect\n0.012890 0.779398 0.746237 Zn\n0.012890 0.220602 0.246237 Zn\n0.511509 0.937530 0.089633 H\n0.511509 0.062470 0.589633 H\n0.386012 0.004713 0.794347 H\n0.386012 0.995287 0.294347 H\n0.249122 0.174481 0.892610 H\n0.249122 0.825519 0.392610 H\n0.617534 0.579830 0.348241 H\n0.617534 0.420170 0.848241 H\n0.880065 0.353035 0.565044 H\n0.880065 0.646965 0.065044 H\n0.685460 0.482251 0.627717 H\n0.685460 0.517750 0.127717 H\n0.826075 0.103119 0.924853 C\n0.826075 0.896881 0.424853 C\n0.313351 0.606433 0.029513 C\n0.313351 0.393568 0.529514 C\n0.809310 0.526057 0.585647 N\n0.399846 0.841960 -0.000356 N\n0.399846 0.158041 0.499645 N\n0.290215 -0.012223 0.863430 N\n0.290215 0.012223 0.363429 N\n0.723315 0.670893 0.444451 N\n0.723315 0.329107 0.944451 N\n0.809310 0.473943 0.085647 N\n0.972725 0.003775 0.041010 O\n0.972725 0.996225 0.541010 O\n0.407343 0.511164 0.657736 O\n0.764718 0.004806 0.287974 O\n0.149106 0.488329 0.421918 O\n0.149106 0.511671 0.921918 O\n0.407343 0.488836 0.157735 O\n0.764718 -0.004806 0.787974 O\n",
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