YBa2Cu3O7 - relaxed - 2x2x2 supercell
Supercell 2x2x2 of Ba2YCu3O7 (Space group: Pmmm, 64 symmetry operations)
YBa2Cu3O7 - relaxed
.cif fileRelaxed with Orb v3; 0.03 eV/Å threshold; final energy = -79.7708 eV
4mo
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