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"structure_string": "Na1 C1 S2\n1.0\n3.265874 0.000000 -0.000000\n0.000000 3.265874 0.000000\n-0.000000 0.000000 6.358517\nNa C S\n1 1 2\ndirect\n0.499999 0.499999 0.574270 Na\n0.000000 0.000000 0.087603 C\n0.000000 0.000000 0.353630 S\n0.499999 0.499999 0.994498 S\n",
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