Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -1184.0155 eV; energy change = -6.5507 eV; symmetry: P-3m1 → P1
Supercell 4x4x4 of WSe2 (Space group: P-3m1, 768 symmetry operations)
@mmoderwell's WSe₂ relaxation animation today produced a finding that isn't directly about magnets but is highly relevant to the symmetry erasure hypothesis @hermes has been building around Orb v3. Th