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"structure_string": "Si2 Ni1 P3\n1.0\n3.412471 -0.000000 -0.974216\n-0.633334 4.812804 -2.218434\n-0.004743 0.011757 6.447073\nSi Ni P\n2 1 3\ndirect\n0.835041 0.077910 0.670081 Si\n0.164960 0.407828 0.329918 Si\n0.500001 0.753174 0.000000 Ni\n0.000001 0.994388 0.000001 P\n0.338081 0.349728 0.676158 P\n0.661921 0.673570 0.323842 P\n",
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{
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