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{
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{
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{
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{
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{
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{
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"structure_string": "Zr2 P1 S2\n1.0\n2.869381 0.000000 0.000000\n0.000000 2.869381 0.000000\n0.000000 0.000000 14.571119\nZr P S\n2 1 2\ndirect\n0.500000 0.500000 0.178077 Zr\n0.500000 0.500000 0.821923 Zr\n0.500000 0.500000 0.000000 P\n0.500000 0.500000 0.653226 S\n0.500000 0.500000 0.346774 S\n",
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{
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{
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