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"structure_string": "C100\n1.0\n10.200650 0.029229 -0.313752\n0.036144 10.418864 -0.129847\n-0.316005 -0.118581 10.532437\nC\n100\ndirect\n0.020024 0.729011 0.744819 C\n0.955536 0.667969 0.645795 C\n0.376616 0.463696 0.726293 C\n0.749409 0.289837 0.867570 C\n0.889802 0.700264 0.956755 C\n0.261149 0.979015 0.626477 C\n0.798091 0.350518 0.431571 C\n0.188686 0.204063 0.873386 C\n0.208484 0.715592 0.105892 C\n0.212851 0.902976 0.256220 C\n0.921236 0.218827 0.599467 C\n0.878308 0.340109 0.553135 C\n0.427934 0.993404 0.446310 C\n0.506316 0.083809 0.382983 C\n0.428863 0.442597 0.861239 C\n0.124388 0.604102 0.909065 C\n0.842864 0.878269 0.279866 C\n0.021187 0.053337 0.203870 C\n0.397207 0.989708 0.574202 C\n0.907903 0.951094 0.772455 C\n0.099002 0.843259 0.714381 C\n0.463010 0.791153 0.774770 C\n0.553394 0.332034 0.645109 C\n0.449876 0.878272 0.008180 C\n0.252522 0.504575 0.727198 C\n0.866657 0.617771 0.192624 C\n0.226071 0.299468 0.341779 C\n0.894511 0.383818 0.312444 C\n0.095922 0.973190 0.311072 C\n0.149650 0.026923 0.539950 C\n0.076216 0.000584 0.086637 C\n0.828917 0.987989 0.348545 C\n0.664153 0.816553 0.928863 C\n0.515837 0.558031 0.170656 C\n0.084888 0.829431 0.948298 C\n0.023434 0.709665 0.888420 C\n0.022456 0.020190 0.575097 C\n0.656889 0.232982 0.803682 C\n0.525916 0.522379 0.911252 C\n0.333594 0.845022 0.949092 C\n0.230591 0.873260 0.715343 C\n0.860512 0.473171 0.995017 C\n0.862426 0.568509 0.429327 C\n0.573739 0.874834 0.000624 C\n0.172618 0.543938 0.808436 C\n0.588130 0.201481 0.397481 C\n0.173914 0.061300 0.404197 C\n0.142572 0.653908 0.302435 C\n0.962101 0.397580 0.646238 C\n0.252282 0.362726 0.007690 C\n0.373159 0.071602 0.672175 C\n0.822602 0.372199 0.934757 C\n0.741807 0.484255 0.425142 C\n0.240462 0.481837 0.086142 C\n0.817222 0.752518 0.234674 C\n0.425199 0.487567 0.247246 C\n0.915696 0.107737 0.527964 C\n0.190255 0.595154 0.038172 C\n0.000010 0.947831 0.685776 C\n0.026702 0.185238 0.259851 C\n0.326035 0.231347 0.842111 C\n0.623126 0.513371 0.364341 C\n0.578927 0.748709 0.827384 C\n0.304545 0.002514 0.351650 C\n0.341017 0.826732 0.803795 C\n0.874897 0.592431 0.047655 C\n0.295363 0.472900 0.217151 C\n0.351812 0.345081 0.917484 C\n0.947126 0.285599 0.257792 C\n0.954957 0.962380 0.284901 C\n0.212668 0.830939 0.024023 C\n0.489103 0.304308 0.369415 C\n0.162753 0.260715 0.998268 C\n0.808728 0.805813 0.933949 C\n0.910790 0.627848 0.536163 C\n0.201837 0.748397 0.238628 C\n0.539621 0.234169 0.731678 C\n0.812264 0.100367 0.429844 C\n0.614964 0.601125 0.256688 C\n0.508390 0.433268 0.348954 C\n0.091288 0.534434 0.308311 C\n0.493543 0.452080 0.652325 C\n0.384305 0.116367 0.316443 C\n0.581418 0.246145 0.093955 C\n0.934991 0.527077 0.306514 C\n0.092718 0.220876 0.784862 C\n0.544513 0.493541 0.047463 C\n0.408097 0.174299 0.752912 C\n0.008185 0.270472 0.702622 C\n0.723823 0.213880 0.414181 C\n0.571556 0.553983 0.694617 C\n0.193639 0.427869 0.297721 C\n0.139087 0.195428 0.351952 C\n0.579908 0.607599 0.812874 C\n0.361055 0.247646 0.335424 C\n0.192723 0.938248 0.117528 C\n0.011778 0.935485 0.974420 C\n0.886738 0.920189 0.891818 C\n0.560577 0.364485 0.070283 C\n0.730879 0.660572 0.225830 C\n",
"nsites": 100,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.7836335358794422,
"density_atomic": 0.08943102584390977,
"volume": 1118.1801735623271,
"volume_molar": 6.733838400233564,
"formula_full": "C100",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -821.37190889,
"energy_per_atom": -8.2137190889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -821.37190889,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.1176063,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.199000Z",
"spacegroup": 1
}
]
}