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{
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{
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{
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{
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{
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"structure_string": "Cd18 I36\n1.0\n2.166814 -3.753031 0.000000\n2.166814 3.753031 0.000000\n0.000000 0.000000 136.420001\nCd I\n18 36\ndirect\n0.000000 0.000000 0.402797 Cd\n0.666667 0.333333 0.458368 Cd\n0.666667 0.333333 0.125019 Cd\n0.666667 0.333333 0.680531 Cd\n0.000000 0.000000 0.847202 Cd\n0.666667 0.333333 0.902788 Cd\n0.666667 0.333333 0.569407 Cd\n0.666667 0.333333 0.736086 Cd\n0.000000 0.000000 0.958292 Cd\n0.000000 0.000000 0.513894 Cd\n0.666667 0.333333 0.625018 Cd\n0.666667 0.333333 0.236084 Cd\n0.666667 0.333333 0.013889 Cd\n0.666667 0.333333 0.347249 Cd\n0.666667 0.333333 0.291694 Cd\n0.666667 0.333333 0.791692 Cd\n0.000000 0.000000 0.180542 Cd\n0.000000 0.000000 0.069439 Cd\n0.000000 0.000000 0.112377 I\n0.333333 0.666667 0.915434 I\n0.000000 0.000000 0.445747 I\n0.333333 0.666667 0.359885 I\n0.000000 0.000000 0.279045 I\n0.333333 0.666667 0.804344 I\n0.000000 0.000000 0.779044 I\n0.333333 0.666667 0.082078 I\n0.333333 0.666667 0.304345 I\n0.000000 0.000000 0.223444 I\n0.333333 0.666667 0.137670 I\n0.000000 0.000000 0.667889 I\n0.666667 0.333333 0.834560 I\n0.333333 0.666667 0.026532 I\n0.333333 0.666667 0.859840 I\n0.666667 0.333333 0.167909 I\n0.333333 0.666667 0.637668 I\n0.333333 0.666667 0.193183 I\n0.333333 0.666667 0.470986 I\n0.333333 0.666667 0.693176 I\n0.666667 0.333333 0.056802 I\n0.000000 0.000000 0.001240 I\n0.333333 0.666667 0.415442 I\n0.000000 0.000000 0.556756 I\n0.000000 0.000000 0.723446 I\n0.333333 0.666667 0.970943 I\n0.666667 0.333333 0.390158 I\n0.666667 0.333333 0.945638 I\n0.333333 0.666667 0.526531 I\n0.000000 0.000000 0.334615 I\n0.333333 0.666667 0.748730 I\n0.333333 0.666667 0.582059 I\n0.666667 0.333333 0.501258 I\n0.333333 0.666667 0.248727 I\n0.000000 0.000000 0.890134 I\n0.000000 0.000000 0.612375 I\n",
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"formation_energy": null,
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"energy_uncorrected": -48.54166648,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 7.48e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:13.090000Z",
"spacegroup": 124
}
]
}