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"structure_string": "Na2 Cr2 As2 C2 O14\n1.0\n0.000000 5.286901 -0.240196\n6.404150 0.000000 0.000000\n0.000000 -0.011710 -8.766140\nNa Cr As C O\n2 2 2 2 14\ndirect\n0.840932 0.525623 0.176037 Na\n0.159067 0.025623 0.823964 Na\n0.231978 0.238258 0.328207 Cr\n0.768021 0.738258 0.671794 Cr\n0.294134 0.744296 0.433239 As\n0.705866 0.244296 0.566762 As\n0.372276 0.253605 0.065098 C\n0.627724 0.753605 0.934903 C\n0.482040 0.764710 0.814209 O\n0.774869 0.452659 0.683181 O\n0.787243 0.040266 0.679772 O\n0.112591 0.755367 0.599606 O\n0.390314 0.236160 0.525579 O\n0.609686 0.736160 0.474421 O\n0.517960 0.264710 0.185791 O\n0.212757 0.540266 0.320229 O\n0.225130 0.952659 0.316820 O\n0.869320 0.744911 0.887284 O\n0.130680 0.244911 0.112717 O\n0.548803 0.746293 0.069035 O\n0.887409 0.255367 0.400394 O\n0.451197 0.246293 0.930966 O\n",
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"structure_string": "Cd4 Ga8 O16\n1.0\n3.001702 0.000000 0.000000\n0.000000 9.228013 0.000000\n0.000000 0.000000 10.712534\nCd Ga O\n4 8 16\ndirect\n0.250000 0.757059 0.346745 Cd\n0.749999 0.742940 0.846745 Cd\n0.250000 0.257059 0.153255 Cd\n0.749999 0.242941 0.653255 Cd\n0.749999 0.083529 0.394771 Ga\n0.749999 0.064632 0.886812 Ga\n0.250000 0.416471 0.894771 Ga\n0.250000 0.435368 0.386812 Ga\n0.749999 0.564632 0.613187 Ga\n0.250000 0.935368 0.113188 Ga\n0.250000 0.916470 0.605228 Ga\n0.749999 0.583529 0.105228 Ga\n0.749999 0.470303 0.783221 O\n0.250000 0.115731 0.523330 O\n0.250000 0.204094 0.840679 O\n0.749999 0.295906 0.340680 O\n0.749999 0.384269 0.023330 O\n0.250000 0.418289 0.570556 O\n0.250000 0.529697 0.216779 O\n0.250000 0.918288 0.929443 O\n0.250000 0.615730 0.976670 O\n0.250000 0.704094 0.659320 O\n0.749999 0.795906 0.159320 O\n0.749999 0.884269 0.476670 O\n0.749999 0.081711 0.070557 O\n0.749999 0.970302 0.716779 O\n0.749999 0.581711 0.429443 O\n0.250000 0.029697 0.283221 O\n",
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"volume_molar": 14.886408479550326,
"formula_full": "Pr4 As8",
"formula_reduced": "PrAs2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5305677833333335,
"spacegroup": 14
}
]
}