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{
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"structure_string": "Si100\n1.0\n12.370372 -1.714773 -1.131777\n-1.745191 12.145069 1.280223\n-1.220097 1.347408 12.404613\nSi\n100\ndirect\n0.087527 0.219204 0.418405 Si\n0.123744 0.760885 0.345439 Si\n0.698029 0.271987 0.377192 Si\n0.699869 0.017957 0.318968 Si\n0.051784 0.032411 0.576180 Si\n0.270331 0.502552 0.341587 Si\n0.866583 0.913924 0.734059 Si\n0.798756 0.805528 0.496951 Si\n0.430632 0.357973 0.518096 Si\n0.411735 0.505295 0.616779 Si\n0.592646 0.300217 0.616755 Si\n0.146290 0.607776 0.559287 Si\n0.597438 0.946999 0.044972 Si\n0.721151 0.058314 0.621902 Si\n0.488975 0.294664 0.877119 Si\n0.866630 0.198443 0.188450 Si\n0.327673 0.074702 0.695273 Si\n0.565131 0.267866 0.092292 Si\n0.434364 0.857172 0.270596 Si\n0.227873 0.493428 0.992443 Si\n0.610235 0.575108 0.616468 Si\n0.529825 0.775330 0.181540 Si\n0.448560 0.003356 0.479942 Si\n0.726616 0.592429 0.481293 Si\n0.506739 0.173206 0.333624 Si\n0.852873 0.007297 0.533380 Si\n0.022688 0.557479 0.152499 Si\n0.361053 0.281229 0.704309 Si\n0.909917 0.384750 0.073738 Si\n0.201922 0.446727 0.521964 Si\n0.738990 0.393778 0.513309 Si\n0.597355 0.630356 0.319117 Si\n0.628111 0.774797 0.574139 Si\n0.006545 0.834217 0.187248 Si\n0.919786 0.587521 0.794831 Si\n0.188947 0.324891 0.709367 Si\n0.971621 0.784064 0.712241 Si\n0.677931 0.587787 0.186437 Si\n0.663774 0.862258 0.730648 Si\n0.805486 0.773158 0.170723 Si\n0.374444 0.137731 0.995004 Si\n0.560178 0.905844 0.428439 Si\n0.229581 0.879195 0.072107 Si\n0.224186 0.045953 0.516960 Si\n0.209710 0.673410 0.123565 Si\n0.280714 0.702937 0.323217 Si\n0.782478 0.872887 0.304435 Si\n0.655759 0.316225 0.805924 Si\n0.937643 0.971736 0.913315 Si\n0.003756 0.357206 0.462932 Si\n0.592922 0.998515 0.808427 Si\n0.251132 0.937115 0.397289 Si\n0.532271 0.101755 0.631920 Si\n0.866724 0.178911 0.727690 Si\n0.187560 0.512156 0.746411 Si\n0.731582 0.420413 0.054061 Si\n0.984209 0.933175 0.327459 Si\n0.982216 0.308332 0.954562 Si\n0.126676 0.634322 0.933336 Si\n0.741850 0.603323 0.940599 Si\n0.400529 0.822217 0.635747 Si\n0.399088 0.955374 0.986285 Si\n0.842703 0.178125 0.387301 Si\n0.722349 0.519470 0.784047 Si\n0.000142 0.441900 0.779155 Si\n0.048006 0.034688 0.097704 Si\n0.082378 0.870789 0.914797 Si\n0.442540 0.727580 0.903407 Si\n0.948588 0.508837 0.324130 Si\n0.141953 0.035747 0.764102 Si\n0.452724 0.337364 0.212355 Si\n0.058131 0.167223 0.812039 Si\n0.377564 0.899321 0.811413 Si\n0.745962 0.162165 0.858152 Si\n0.502099 0.513133 0.082043 Si\n0.034896 0.131417 0.253221 Si\n0.346290 0.673787 0.521909 Si\n0.659746 0.111955 0.134351 Si\n0.762359 0.434348 0.244182 Si\n0.140221 0.322557 0.103380 Si\n0.284700 0.380267 0.896476 Si\n0.006768 0.833039 0.520574 Si\n0.384973 0.608619 0.763100 Si\n0.195226 0.800105 0.600932 Si\n0.763549 0.896963 0.003778 Si\n0.953811 0.671221 0.972723 Si\n0.439216 0.055826 0.191433 Si\n0.281144 0.235658 0.415353 Si\n0.385050 0.636834 0.079814 Si\n0.192314 0.188636 0.985170 Si\n0.238864 0.022601 0.201201 Si\n0.268804 0.221757 0.223167 Si\n0.642858 0.750104 0.909351 Si\n0.445337 0.467144 0.336085 Si\n0.104444 0.391152 0.254441 Si\n0.869698 0.115372 0.022209 Si\n0.910298 0.359812 0.615153 Si\n0.172995 0.792798 0.791733 Si\n0.978013 0.641187 0.449073 Si\n0.479965 0.478370 0.899187 Si\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.5999541580633005,
"density_atomic": 0.05574866003744035,
"volume": 1793.7650866019167,
"volume_molar": 10.802305841890332,
"formula_full": "Si100",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -507.60265714,
"energy_per_atom": -5.0760265714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -507.60265714,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.824000Z",
"spacegroup": 1
}
]
}