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"structure_string": "He1 Er3\n1.0\n3.430089 0.000000 0.000000\n-1.715045 2.970544 0.000000\n-0.000000 -0.000000 12.776940\nHe Er\n1 3\ndirect\n0.000000 0.000000 0.000000 He\n0.333334 0.666666 0.284127 Er\n0.000000 0.000000 0.500000 Er\n0.666667 0.333333 0.715873 Er\n",
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{
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{
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