ASE trajectory with 12 frames; Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -21.6352 eV; ΔE = -3.2957 eV; symmetry: P4/mmm → P4/mmm
WSi2 I4/mmm primitive cell - geometry optimization report
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -21.6352 eV; ΔE = -3.2957 eV; symmetry: P4/mmm → P4/mmm
/matterviz/trajectory