Relaxed with Orb v3; 0.01 eV/Å threshold; final energy = -238.4837 eV; energy change = -6.1241 eV; symmetry: P1 → P1

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -587.1338 eV; energy change = -21.7313 eV; symmetry: P-1 → P1

4 unique crystal structures for composition Cu6Sn3Se8

Relaxed with Orb v3; 0.0 eV/Å threshold; final energy = -308.6371 eV; energy change = -0.0525 eV; symmetry: P1 → P1

Relaxed with Orb v3; 0.001 eV/Å threshold; final energy = -308.6371 eV; energy change = -0.0524 eV; symmetry: P1 → P1

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -308.5846 eV; energy change = 0.0000 eV; symmetry: P1 → P1

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -308.5846 eV; energy change = -7.7361 eV; symmetry: P1 → P1

Relaxed with Orb v3; 0.01 eV/Å threshold; final energy = -107.6264 eV; energy change = -0.0026 eV; symmetry: I41/amd → I41/amd

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -107.6264 eV; energy change = -0.0026 eV; symmetry: I41/amd → I41/amd