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"structure_string": "V1 O2\n1.0\n2.713258 -0.043782 3.985636\n1.195570 2.436042 3.985636\n-0.071539 -0.043782 4.820990\nV O\n1 2\ndirect\n0.500002 0.500000 0.500000 V\n0.760826 0.760824 0.760825 O\n0.239177 0.239174 0.239175 O\n",
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{
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