Crystal structure generated by TreeQuest optimization (file 6)
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -222.8582 eV; energy change = -216.3565 eV; symmetry: F-43m → P1
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -220.9043 eV; energy change = -214.4013 eV; symmetry: F-43m → P1