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"structure_string": "Ni2 S2\n1.0\n1.726810 -2.990923 -0.000000\n1.726810 2.990923 0.000000\n-0.000000 -0.000000 5.225503\nNi S\n2 2\ndirect\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.666667 0.333333 0.250000 S\n0.333333 0.666667 0.750000 S\n",
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