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"structure_string": "Pr1 H2\n1.0\n3.406140 -0.000000 1.966535\n1.135380 3.211339 1.966535\n-0.000000 -0.000000 3.933072\nPr H\n1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.750000 0.750000 0.750001 H\n0.250000 0.250000 0.250000 H\n",
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"structure_string": "Lu1 H2\n1.0\n3.067331 -0.000000 1.770925\n1.022444 2.891907 1.770925\n-0.000000 -0.000000 3.541848\nLu H\n1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.250000 0.250000 0.250000 H\n0.749999 0.750001 0.749999 H\n",
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{
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