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"structure_string": "Ba1 In1 Br1\n1.0\n6.028461 1.715797 0.000000\n2.025017 6.894059 0.000000\n0.000000 0.000000 3.848421\nBa In Br\n1 1 1\ndirect\n-0.047089 -0.051327 0.000000 Ba\n-0.048187 0.449178 0.000000 In\n0.452373 -0.050422 0.000000 Br\n",
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"structure_string": "Ca1 C2\n1.0\n4.310725 0.000000 -0.328058\n0.000000 4.392616 0.000000\n-0.377235 0.000000 3.692689\nCa C\n1 2\ndirect\n0.466682 0.000000 -0.200009 Ca\n-0.145058 0.000000 -0.612842 C\n0.078376 0.000000 0.212851 C\n",
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"structure_string": "As1 I2\n1.0\n3.600617 0.000000 1.281849\n0.000000 3.055428 0.000000\n1.809174 0.000000 10.520825\nAs I\n1 2\ndirect\n0.466575 0.000000 0.133335 As\n-0.071789 0.000000 -0.174303 I\n0.005215 0.000000 0.440967 I\n",
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{
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"structure_string": "Na1 Cr1 F4\n1.0\n3.119941 -0.013631 -0.086380\n-0.016720 4.074691 -0.075190\n0.212571 0.212489 5.413022\nNa Cr F\n1 1 4\ndirect\n0.500000 0.500001 0.499999 Na\n0.000000 0.000000 0.000000 Cr\n0.495286 0.763075 0.134200 F\n-0.002160 0.237726 0.292700 F\n0.504714 0.236928 0.865798 F\n0.002160 0.762276 0.707299 F\n",
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"structure_string": "H2 Cl1\n1.0\n4.919731 0.000000 0.015855\n0.000000 2.951204 0.000000\n-0.032243 0.000000 2.364815\nH Cl\n2 1\ndirect\n-0.086273 0.000000 -0.258794 H\n0.019605 0.000000 0.525456 H\n0.466670 0.000000 0.133340 Cl\n",
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{
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"structure_string": "K1 Se2\n1.0\n3.882626 1.258255 0.193932\n1.562433 -4.637089 -1.040581\n0.462839 -0.604394 -4.650340\nK Se\n1 2\ndirect\n0.002724 0.944027 0.161429 K\n0.501545 0.343779 0.447390 Se\n0.503910 0.543997 0.875713 Se\n",
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{
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