gen_0.cif - relaxed
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -98.1228 eV; energy change = -0.0050 eV; symmetry: Cm → Cm
gen_0.cif
.cif file3mo
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Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -98.1228 eV; energy change = -0.0050 eV; symmetry: Cm → Cm