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"structure_string": "C71\n1.0\n7.424126 12.776585 0.000000\n-7.424126 12.776585 0.000000\n0.000000 0.001516 7.496735\nC\n71\ndirect\n0.056211 0.221304 0.494214 C\n0.222177 0.722579 0.495959 C\n0.721894 0.054660 0.496307 C\n0.221304 0.056211 0.494214 C\n0.722579 0.222177 0.495959 C\n0.054660 0.721894 0.496307 C\n0.000175 0.166014 0.491746 C\n0.165977 0.833476 0.493007 C\n0.832880 0.998966 0.493670 C\n0.166014 0.000175 0.491746 C\n0.833476 0.165977 0.493007 C\n0.998966 0.832880 0.493670 C\n0.500304 0.166967 0.494877 C\n0.167171 0.333420 0.494244 C\n0.334316 0.500787 0.494709 C\n0.166967 0.500304 0.494877 C\n0.333420 0.167171 0.494244 C\n0.500787 0.334316 0.494709 C\n0.056665 0.387981 0.500326 C\n0.389792 0.556625 0.500524 C\n0.555470 0.056137 0.500569 C\n0.387981 0.056665 0.500326 C\n0.556625 0.389792 0.500524 C\n0.056137 0.555470 0.500569 C\n0.001844 0.331747 0.501049 C\n0.333616 0.667519 0.501627 C\n0.666123 0.998800 0.501753 C\n0.331747 0.001844 0.501049 C\n0.667519 0.333616 0.501627 C\n0.998800 0.666123 0.501753 C\n0.891473 0.385980 0.508090 C\n0.388983 0.723780 0.507939 C\n0.721288 0.886614 0.507092 C\n0.385980 0.891473 0.508090 C\n0.723780 0.388983 0.507939 C\n0.886614 0.721288 0.507092 C\n0.836836 0.496854 0.515475 C\n0.501823 0.668902 0.515262 C\n0.664782 0.829818 0.513089 C\n0.496854 0.836836 0.515475 C\n0.668902 0.501823 0.515262 C\n0.829818 0.664782 0.513089 C\n0.889327 0.221223 0.495593 C\n0.221223 0.889327 0.495593 C\n0.887992 0.887992 0.496566 C\n0.834539 0.332201 0.504605 C\n0.332201 0.834539 0.504605 C\n0.831926 0.831926 0.504075 C\n0.729906 0.549782 0.519941 C\n0.549782 0.729906 0.519941 C\n0.719523 0.719523 0.515839 C\n0.666724 0.166342 0.494826 C\n0.166778 0.166778 0.492662 C\n0.166342 0.666724 0.494826 C\n0.556072 0.222699 0.494123 C\n0.222393 0.222393 0.492879 C\n0.222699 0.556072 0.494123 C\n0.389187 0.222811 0.492605 C\n0.222811 0.389187 0.492605 C\n0.389708 0.389708 0.492621 C\n0.333897 0.333897 0.490980 C\n0.000550 0.499492 0.505049 C\n0.501701 0.501701 0.505118 C\n0.499492 0.000550 0.505049 C\n0.891353 0.553430 0.512557 C\n0.557031 0.557031 0.513344 C\n0.553430 0.891353 0.512557 C\n0.054797 0.888548 0.489823 C\n0.888548 0.054797 0.489823 C\n0.055177 0.055177 0.488396 C\n0.999453 0.999453 0.487902 C\n",
"nsites": 71,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 0.9956655665045799,
"density_atomic": 0.04992247074231997,
"volume": 1422.2052503465602,
"volume_molar": 12.062986207321162,
"formula_full": "C71",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -646.86646431,
"energy_per_atom": -9.110795271971831,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -646.86646431,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.889947,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.508000Z",
"spacegroup": 8
}
]
}