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            "structure_string": "Ca4 Hg4 H64 Br16 O32\n1.0\n6.345213 -9.156253 0.000000\n6.345213 9.156253 0.000000\n0.000000 0.000000 13.992930\nCa Hg H Br O\n4 4 64 16 32\ndirect\n0.752494 0.247506 0.500000 Ca\n0.252494 0.747506 0.000000 Ca\n0.247506 0.752494 0.500000 Ca\n0.747506 0.252494 0.000000 Ca\n0.757261 0.757261 0.196032 Hg\n0.242739 0.242739 0.803968 Hg\n0.742739 0.742739 0.696032 Hg\n0.257261 0.257261 0.303968 Hg\n0.573344 0.946785 0.526705 H\n0.053215 0.426656 0.473295 H\n0.553215 0.926656 0.026705 H\n0.073344 0.446785 0.973295 H\n0.426656 0.053215 0.473295 H\n0.946785 0.573344 0.526705 H\n0.446785 0.073344 0.973295 H\n0.926656 0.553215 0.026705 H\n0.641866 0.009781 0.618876 H\n0.990219 0.358134 0.381124 H\n0.490219 0.858134 0.118876 H\n0.141866 0.509781 0.881124 H\n0.358134 0.990219 0.381124 H\n0.009781 0.641866 0.618876 H\n0.509781 0.141866 0.881124 H\n0.858134 0.490219 0.118876 H\n0.473159 0.234413 0.560462 H\n0.765587 0.526841 0.439538 H\n0.265587 0.026841 0.060462 H\n0.973159 0.734413 0.939538 H\n0.526841 0.765587 0.439538 H\n0.234413 0.473159 0.560462 H\n0.734413 0.973159 0.939538 H\n0.026841 0.265587 0.060462 H\n0.500665 0.298221 0.458782 H\n0.701779 0.499335 0.541218 H\n0.201779 0.999335 0.958782 H\n0.000665 0.798221 0.041218 H\n0.499335 0.701779 0.541218 H\n0.298221 0.500665 0.458782 H\n0.798221 0.000665 0.041218 H\n0.999335 0.201779 0.958782 H\n0.758844 0.388585 0.701217 H\n0.611415 0.241156 0.298783 H\n0.111415 0.741156 0.201217 H\n0.258844 0.888585 0.798783 H\n0.241156 0.611415 0.298783 H\n0.388585 0.758844 0.701217 H\n0.888585 0.258844 0.798783 H\n0.741156 0.111415 0.201217 H\n0.629730 0.276913 0.697282 H\n0.723087 0.370270 0.302718 H\n0.223087 0.870270 0.197282 H\n0.129730 0.776913 0.802718 H\n0.370270 0.723087 0.302718 H\n0.276913 0.629730 0.697282 H\n0.776913 0.129730 0.802718 H\n0.870270 0.223087 0.197282 H\n0.788466 0.032220 0.371611 H\n0.967780 0.211534 0.628389 H\n0.467780 0.711534 0.871611 H\n0.288466 0.532220 0.128389 H\n0.211534 0.967780 0.628389 H\n0.032220 0.788466 0.371611 H\n0.532220 0.288466 0.128389 H\n0.711534 0.467780 0.871611 H\n0.924534 0.119680 0.407929 H\n0.880320 0.075466 0.592071 H\n0.380320 0.575466 0.907929 H\n0.424534 0.619680 0.092071 H\n0.075466 0.880320 0.592071 H\n0.119680 0.924534 0.407929 H\n0.619680 0.424534 0.092071 H\n0.575466 0.380320 0.907929 H\n0.868287 0.603662 0.279045 Br\n0.396338 0.131713 0.720955 Br\n0.896338 0.631713 0.779045 Br\n0.368287 0.103662 0.220955 Br\n0.131713 0.396338 0.720955 Br\n0.603662 0.868287 0.279045 Br\n0.103662 0.368287 0.220955 Br\n0.631713 0.896338 0.779045 Br\n0.962610 0.962610 0.152873 Br\n0.037390 0.037390 0.847127 Br\n0.537390 0.537390 0.652873 Br\n0.462610 0.462610 0.347127 Br\n0.636857 0.636857 0.042100 Br\n0.363143 0.363143 0.957900 Br\n0.863143 0.863143 0.542100 Br\n0.136857 0.136857 0.457900 Br\n0.621306 0.031202 0.554703 O\n0.968798 0.378694 0.445297 O\n0.468798 0.878694 0.054703 O\n0.121306 0.531202 0.945297 O\n0.378694 0.968798 0.445297 O\n0.031202 0.621306 0.554703 O\n0.531202 0.121306 0.945297 O\n0.878694 0.468798 0.054703 O\n0.513941 0.230650 0.498860 O\n0.769350 0.486059 0.501140 O\n0.269350 0.986059 0.998860 O\n0.013941 0.730650 0.001140 O\n0.486059 0.769350 0.501140 O\n0.230650 0.513941 0.498860 O\n0.730650 0.013941 0.001140 O\n0.986059 0.269350 0.998860 O\n0.815432 0.210183 0.838298 O\n0.789817 0.184568 0.161702 O\n0.289817 0.684568 0.338298 O\n0.315432 0.710183 0.661702 O\n0.184568 0.789817 0.161702 O\n0.210183 0.815432 0.838298 O\n0.710183 0.315432 0.661702 O\n0.684568 0.289817 0.338298 O\n0.839492 0.120615 0.388927 O\n0.879385 0.160508 0.611073 O\n0.379385 0.660508 0.888927 O\n0.339492 0.620615 0.111073 O\n0.160508 0.879385 0.611073 O\n0.120615 0.839492 0.388927 O\n0.620615 0.339492 0.111073 O\n0.660508 0.379385 0.888927 O\n",
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            "energy_uncorrected": -75.18319083,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 15.5521645,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:15.384000Z",
            "spacegroup": 12
        }
    ]
}