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"structure_string": "Ba1 Ca1 I4\n1.0\n4.780621 -0.003344 0.003965\n0.005847 7.155185 -1.683560\n-0.007763 -2.347900 8.608923\nBa Ca I\n1 1 4\ndirect\n0.505635 0.494946 -0.000452 Ba\n0.005673 -0.005361 0.499684 Ca\n0.005584 0.513228 0.279772 I\n0.505687 0.023577 0.273648 I\n0.005697 0.476121 0.719185 I\n0.505650 0.966068 0.725912 I\n",
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