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"structure_string": "Pa2 As4\n1.0\n4.023280 0.000000 0.000000\n0.000000 4.023280 0.000000\n0.000000 0.000000 8.199185\nPa As\n2 4\ndirect\n0.500000 0.000000 0.278733 Pa\n0.000000 0.500000 0.721267 Pa\n0.500000 0.000000 0.638917 As\n0.000000 0.500000 0.361082 As\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.000000 As\n",
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{
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{
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