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{
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{
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{
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"structure_string": "Cu2 P2 O7\n1.0\n4.491952 -0.042742 -0.989758\n-1.361818 5.134697 -0.891747\n-0.027093 0.026444 5.386413\nCu P O\n2 2 7\ndirect\n0.500000 0.311550 0.688449 Cu\n0.500000 0.688451 0.311549 Cu\n0.908064 0.199255 0.199255 P\n0.091935 0.800745 0.800744 P\n0.272514 0.952255 0.642588 O\n0.727486 0.357411 0.047744 O\n0.727486 0.047745 0.357410 O\n0.272514 0.642589 0.952254 O\n0.000000 0.000000 0.000000 O\n0.779969 0.620486 0.620485 O\n0.220031 0.379514 0.379514 O\n",
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"structure_string": "Zn14 S14\n1.0\n1.919642 -3.324917 -0.000000\n1.919642 3.324917 0.000000\n0.000000 -0.000000 44.010072\nZn S\n14 14\ndirect\n0.666667 0.333332 0.857019 Zn\n0.000000 0.000000 0.428850 Zn\n0.333332 0.666667 0.500160 Zn\n0.333332 0.666667 0.714265 Zn\n0.666667 0.333332 0.071092 Zn\n0.666667 0.333332 0.571478 Zn\n0.000000 0.000000 0.999631 Zn\n0.000000 0.000000 0.142673 Zn\n0.666667 0.333332 0.357421 Zn\n0.000000 0.000000 0.285825 Zn\n0.666667 0.333332 0.214249 Zn\n0.333332 0.666667 0.928336 Zn\n0.000000 0.000000 0.785705 Zn\n0.000000 0.000000 0.642776 Zn\n0.666667 0.333332 0.518017 S\n0.000000 0.000000 0.946189 S\n0.666667 0.333332 0.160704 S\n0.333332 0.666667 0.446701 S\n0.000000 0.000000 0.732249 S\n0.000000 0.000000 0.089128 S\n0.333332 0.666667 0.660690 S\n0.666667 0.333332 0.303857 S\n0.666667 0.333332 0.803558 S\n0.666667 0.333332 0.017541 S\n0.000000 0.000000 0.232281 S\n0.000000 0.000000 0.375397 S\n0.000000 0.000000 0.589333 S\n0.333332 0.666667 0.874876 S\n",
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{
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"structure_string": "Zn14 S14\n1.0\n3.839270 -0.000000 -0.000000\n-1.919635 3.324905 0.000000\n-0.000000 -0.000000 44.011033\nZn S\n14 14\ndirect\n0.666667 0.333333 0.142842 Zn\n0.333333 0.666668 0.499799 Zn\n0.333333 0.666668 0.285597 Zn\n0.666667 0.333333 0.928732 Zn\n0.666667 0.333333 0.428370 Zn\n0.000000 0.000000 0.000219 Zn\n0.000000 0.000000 0.357081 Zn\n0.000000 0.000000 0.857295 Zn\n0.666667 0.333333 0.714544 Zn\n0.000000 0.000000 0.214159 Zn\n0.666667 0.333333 0.571395 Zn\n0.333333 0.666668 0.071520 Zn\n0.333333 0.666668 0.786004 Zn\n0.333333 0.666668 0.642966 Zn\n0.666667 0.333333 0.624936 S\n0.666667 0.333333 0.481823 S\n0.000000 0.000000 0.053661 S\n0.000000 0.000000 0.410520 S\n0.333333 0.666668 0.553363 S\n0.000000 0.000000 0.267614 S\n0.333333 0.666668 0.696509 S\n0.666667 0.333333 0.768096 S\n0.333333 0.666668 0.339169 S\n0.666667 0.333333 0.196304 S\n0.666667 0.333333 0.982304 S\n0.333333 0.666668 0.839445 S\n0.000000 0.000000 0.910749 S\n0.333333 0.666668 0.124983 S\n",
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{
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}