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"structure_string": "Ca1 Ga1 Si1\n1.0\n5.204331 0.000000 0.000000\n-2.602166 4.507083 0.000000\n-0.000000 0.000000 3.023039\nCa Ga Si\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666666 0.000000 Ga\n0.666666 0.333333 0.000000 Si\n",
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"structure_string": "Ca1 Ga1 Si1 H1\n1.0\n2.042891 -3.538392 0.000000\n2.042891 3.538392 -0.000000\n0.000000 0.000000 4.762994\nCa Ga Si H\n1 1 1 1\ndirect\n0.000000 0.000000 -0.003145 Ca\n0.666667 0.333333 0.558160 Ga\n0.333333 0.666667 0.432122 Si\n0.666667 0.333333 0.928362 H\n",
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