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"structure_string": "Pd2 H2 Cl2\n1.0\n3.319303 0.000000 0.000000\n-1.659651 2.874600 -0.000000\n-0.000000 -0.000000 8.764305\nPd H Cl\n2 2 2\ndirect\n0.333332 0.666666 0.629910 Pd\n0.666665 0.333333 0.370089 Pd\n0.333332 0.666666 0.437554 H\n0.666665 0.333333 0.562446 H\n0.333332 0.666666 0.157870 Cl\n0.666665 0.333333 0.842129 Cl\n",
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{
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{
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