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{
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{
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"structure_string": "Li28 Fe8 O26\n1.0\n27.390993 0.000000 0.000000\n0.000000 5.318665 0.000000\n0.000000 2.490588 4.752236\nLi Fe O\n28 8 26\ndirect\n0.323422 0.165413 0.849893 Li\n0.557705 0.209303 0.791813 Li\n0.176578 0.665413 0.849893 Li\n0.942295 0.709303 0.791813 Li\n0.387712 0.693798 0.778090 Li\n0.725270 0.768793 0.654251 Li\n0.501295 0.732409 0.733419 Li\n0.280493 0.732100 0.700360 Li\n0.613958 0.778961 0.695371 Li\n0.112288 0.193798 0.778090 Li\n0.113958 0.721039 0.304629 Li\n0.774730 0.268793 0.654251 Li\n0.998705 0.232409 0.733419 Li\n0.219507 0.232100 0.700360 Li\n0.780493 0.767900 0.299640 Li\n0.001295 0.767591 0.266581 Li\n0.225270 0.731207 0.345749 Li\n0.886042 0.278961 0.695371 Li\n0.887712 0.806202 0.221910 Li\n0.386042 0.221039 0.304629 Li\n0.719507 0.267900 0.299640 Li\n0.498705 0.267591 0.266581 Li\n0.274730 0.231207 0.345749 Li\n0.612288 0.306202 0.221910 Li\n0.057705 0.290697 0.208187 Li\n0.823422 0.334587 0.150107 Li\n0.442295 0.790697 0.208187 Li\n0.676578 0.834587 0.150107 Li\n0.668611 0.315763 0.693531 Fe\n0.055402 0.770637 0.728185 Fe\n0.831389 0.815763 0.693531 Fe\n0.555402 0.729363 0.271815 Fe\n0.444598 0.270637 0.728185 Fe\n0.168611 0.184237 0.306469 Fe\n0.944598 0.229363 0.271815 Fe\n0.331389 0.684237 0.306469 Fe\n0.441091 0.226690 0.090770 O\n0.672309 0.251706 0.063368 O\n0.058909 0.726690 0.090770 O\n0.279454 0.453826 0.550946 O\n0.056473 0.403550 0.775779 O\n0.825739 0.447816 0.734558 O\n0.827691 0.751706 0.063368 O\n0.391214 0.500653 0.494192 O\n0.220546 0.953826 0.550946 O\n0.443527 0.903550 0.775779 O\n0.674261 0.947816 0.734558 O\n0.891214 0.999347 0.505808 O\n0.000000 0.000000 0.500000 O\n0.108786 0.000653 0.494192 O\n0.325739 0.052184 0.265442 O\n0.556473 0.096450 0.224221 O\n0.779454 0.046174 0.449054 O\n0.608786 0.499347 0.505808 O\n0.500000 0.500000 0.500000 O\n0.172309 0.248294 0.936632 O\n0.174261 0.552184 0.265442 O\n0.943527 0.596450 0.224221 O\n0.720546 0.546174 0.449054 O\n0.941091 0.273310 0.909230 O\n0.327691 0.748294 0.936632 O\n0.558909 0.773310 0.909230 O\n",
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{
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{
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{
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"energy_uncorrected": -265.1976525,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0069252,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.984000Z",
"spacegroup": 12
}
]
}