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"structure_string": "Ba1 Sn2 Se1\n1.0\n4.244340 0.000000 0.000000\n0.000000 4.244340 0.000000\n-0.000000 0.000000 6.995642\nBa Sn Se\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.697330 Sn\n0.000000 0.000000 0.302670 Sn\n0.500000 0.500000 0.500000 Se\n",
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{
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{
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