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"created_at": "2022-09-04T14:36:41.707333Z",
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"structure_string": "H12 C14 N4 O2\n1.0\n4.685640 -0.000034 -0.000231\n-2.342429 6.728804 -0.549948\n-0.000004 -0.271510 8.844526\nH C N O\n12 14 4 2\ndirect\n0.408557 0.003099 0.319140 H\n0.051671 0.676319 0.681758 H\n0.760830 0.948682 0.130739 H\n0.227197 0.209761 0.059731 H\n0.329943 0.415262 0.252768 H\n0.094513 0.003120 0.819149 H\n0.717988 0.621881 0.993350 H\n0.687879 0.948698 0.630737 H\n0.403933 0.621895 0.493355 H\n0.482554 0.209755 0.559722 H\n0.585332 0.415261 0.752746 H\n0.124612 0.676299 0.181764 H\n0.578791 0.705081 0.956099 C\n0.206091 0.734015 0.780252 C\n0.233711 0.919919 0.856400 C\n0.655480 0.312492 0.156259 C\n0.380753 0.624516 0.829492 C\n0.431753 0.000487 0.983006 C\n0.606410 0.890985 0.032247 C\n0.743770 0.624514 0.329500 C\n0.186180 0.919907 0.356398 C\n0.157018 0.312499 0.656254 C\n0.068727 0.000485 0.483001 C\n0.626315 0.705090 0.456103 C\n0.784591 0.890994 0.532246 C\n0.027905 0.734002 0.280256 C\n0.383795 0.442836 0.751078 N\n0.253443 0.182176 0.561403 N\n0.559052 0.442831 0.251093 N\n0.428725 0.182177 0.061410 N\n0.889377 0.312480 0.656273 O\n0.923104 0.312476 0.156277 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.6015233576478616,
"density_atomic": 0.11504319853087143,
"volume": 278.1563830686863,
"volume_molar": 5.234677787912843,
"formula_full": "H12 C14 N4 O2",
"formula_reduced": "H6C7N2O",
"formula_anonymous": "AB2C6D7",
"energy_above_hull": 5.479195624999999,
"spacegroup": 15
}
]
}