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{
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"structure_string": "Ca12 Te12 O36\n1.0\n5.725459 0.000000 0.000000\n0.000000 8.293594 -0.070276\n0.000000 0.156966 21.106276\nCa Te O\n12 12 36\ndirect\n0.227938 0.960772 0.941658 Ca\n0.166902 0.073031 0.777330 Ca\n0.647913 0.811071 0.817546 Ca\n0.147913 0.688929 0.682454 Ca\n0.666902 0.426969 0.722670 Ca\n0.833098 0.926969 0.222670 Ca\n0.727938 0.539228 0.558342 Ca\n0.333098 0.573031 0.277330 Ca\n0.272062 0.460772 0.441658 Ca\n0.852087 0.311071 0.317546 Ca\n0.772062 0.039228 0.058342 Ca\n0.352087 0.188929 0.182454 Ca\n0.758547 0.164765 0.490481 Te\n0.258547 0.335235 0.009519 Te\n0.730133 0.205716 0.877567 Te\n0.150722 0.569733 0.837181 Te\n0.230133 0.294284 0.622433 Te\n0.349278 0.069733 0.337181 Te\n0.849278 0.430267 0.162819 Te\n0.650722 0.930267 0.662819 Te\n0.241453 0.835235 0.509519 Te\n0.769868 0.705716 0.377566 Te\n0.741454 0.664765 0.990481 Te\n0.269867 0.794284 0.122433 Te\n0.356857 0.226633 0.701811 O\n0.507681 0.304576 0.510373 O\n0.856857 0.273367 0.798189 O\n0.577956 0.126116 0.275299 O\n0.596535 0.510603 0.374216 O\n0.903465 0.010604 0.874216 O\n0.096535 0.989396 0.125784 O\n0.946804 0.402484 0.645052 O\n0.053197 0.597516 0.354948 O\n0.234291 0.362427 0.097755 O\n0.422044 0.873884 0.724701 O\n0.992319 0.804575 0.010373 O\n0.242099 0.278226 0.360060 O\n0.980169 0.330803 0.499350 O\n0.922044 0.626116 0.775299 O\n0.112236 0.053356 0.275051 O\n0.403465 0.489397 0.625784 O\n0.765710 0.637573 0.902245 O\n0.734291 0.137573 0.402245 O\n0.492319 0.695424 0.489627 O\n0.446803 0.097517 0.854948 O\n0.143143 0.726633 0.201811 O\n0.887765 0.946644 0.724949 O\n0.612236 0.446644 0.224949 O\n0.553197 0.902483 0.145052 O\n0.757901 0.721774 0.639940 O\n0.480169 0.169197 0.000650 O\n0.519831 0.830803 0.999350 O\n0.019831 0.669197 0.500650 O\n0.077956 0.373884 0.224701 O\n0.257901 0.778226 0.860060 O\n0.742100 0.221774 0.139940 O\n0.387765 0.553356 0.775051 O\n0.643143 0.773367 0.298189 O\n0.265710 0.862427 0.597755 O\n0.007681 0.195425 0.989627 O\n",
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"formula_reduced": "H2C",
"formula_anonymous": "AB2",
"energy_above_hull": 3.26792,
"spacegroup": 14
}
]
}