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"structure_string": "H6 C10 S2 O1\n1.0\n3.889310 -0.024173 -0.071021\n1.318838 5.327402 0.888266\n-0.174356 -0.087545 9.660729\nH C S O\n6 10 2 1\ndirect\n0.094070 0.728959 0.986840 H\n0.500615 0.102886 0.174688 H\n0.509386 0.866375 0.821462 H\n0.752673 0.076486 0.433215 H\n0.254900 0.898136 0.564021 H\n0.719960 0.660780 0.060822 H\n0.992113 0.383615 0.945579 C\n0.996970 0.573554 0.044488 C\n0.783820 0.478827 0.813198 C\n0.534372 0.508633 0.567673 C\n0.202150 0.479024 0.183745 C\n0.427238 0.729573 0.623038 C\n0.566421 0.712538 0.761422 C\n0.434078 0.253394 0.235795 C\n0.568085 0.240403 0.375256 C\n0.445299 0.456713 0.431338 C\n0.810332 0.279252 0.689342 S\n0.158872 0.678384 0.307844 S\n0.161297 0.161238 0.971995 O\n",
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"structure_string": "Na1 Ca2 Be1\n1.0\n-2.684878 2.684878 3.783650\n2.684878 -2.684878 3.783650\n2.684878 2.684878 -3.783650\nNa Ca Be\n1 2 1\ndirect\n0.250000 0.750000 0.500000 Na\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.750000 0.250000 0.500000 Be\n",
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"structure_string": "Ti1 H10 C6 O4\n1.0\n4.887312 -0.106809 0.032836\n1.889750 5.712987 1.681233\n-0.043366 0.215934 6.771230\nTi H C O\n1 10 6 4\ndirect\n0.656470 0.192550 0.290577 Ti\n0.223785 0.461776 0.708520 H\n0.717833 0.096186 0.910653 H\n0.499918 0.676883 0.841043 H\n0.181178 0.881377 0.869406 H\n0.896467 0.678196 0.702122 H\n0.918157 0.504024 0.394954 H\n0.725832 0.355840 0.590843 H\n0.531893 0.596282 0.369759 H\n0.958556 0.864159 0.118986 H\n0.579638 0.900378 0.109251 H\n0.744815 -0.007173 0.075630 C\n0.727004 0.444997 0.423128 C\n0.077827 0.447664 0.003383 C\n0.268196 0.929481 0.560574 C\n0.277160 0.765748 0.775824 C\n0.109786 0.590394 0.786141 C\n0.851241 0.395811 0.041784 O\n0.051904 0.990560 0.432348 O\n0.485914 0.006642 0.518681 O\n0.295618 0.377118 0.141819 O\n",
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