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            "structure_string": "Ti1 H12 N3 F7\n1.0\n7.185570 0.000000 0.000000\n-2.160212 6.905959 0.000000\n-0.751094 -3.898961 6.319986\nTi H N F\n1 12 3 7\ndirect\n0.510920 0.039356 0.115593 Ti\n0.054661 0.996335 0.742558 H\n0.597725 0.833375 0.846175 H\n0.042656 0.040731 0.071466 H\n0.266285 0.470669 0.831009 H\n0.136166 0.882243 0.560229 H\n0.037085 0.671031 0.496357 H\n0.290796 0.769280 0.535698 H\n0.804921 0.240344 0.334505 H\n0.734863 0.703118 0.217202 H\n0.952832 0.087930 0.053118 H\n0.135000 0.203935 0.233235 H\n0.997192 0.885931 0.785743 H\n0.210745 0.600070 0.811360 N\n0.163382 0.736986 0.586758 N\n0.716472 0.154198 0.250064 N\n0.341091 0.855154 0.284687 F\n0.820428 0.595895 0.336925 F\n0.588893 0.801823 0.733496 F\n0.227764 0.195419 0.364896 F\n0.607757 0.869563 0.039933 F\n0.356611 0.248878 0.884743 F\n0.013048 0.500422 0.844083 F\n",
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}