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"structure_string": "Th1 Ni2 H2\n1.0\n4.322604 0.000000 0.000000\n-2.161302 3.743485 -0.000000\n-0.000000 0.000000 3.570787\nTh Ni H\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.333333 0.666668 0.500000 Ni\n0.666667 0.333333 0.500000 Ni\n0.666667 0.333333 0.000000 H\n0.333333 0.666668 0.000000 H\n",
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