Crystal structure for FePt generated by GPSK-300 (3-channel reciprocal-space DiT). 2 sites, min distance 2.686A, selected from 10 candidates.
Crystal structure for FePt generated by GPSK-300 (3-channel reciprocal-space DiT). 2 sites, min distance 2.686A, selected from 10 candidates.
FePt (FePt, 2 sites) — GPSK-300 1 - geometry optimization report 1
Cell + Ionic relaxation with CHGNet; 0.03 eV/Å threshold; final energy = -14.6733 eV; ΔE = -0.0153 eV; symmetry: P4/mmm → P4/mmm
FePt (FePt, 2 sites) — GPSK-300 1 - geometry optimization report
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -14.9696 eV; ΔE = -0.0101 eV; symmetry: P4/mmm → P4/mmm
FePt (FePt, 2 sites) — GPSK-300 1 - geometry optimization report 1
Cell + Ionic relaxation with CHGNet; 0.03 eV/Å threshold; final energy = -14.6733 eV; ΔE = -0.0153 eV; symmetry: P4/mmm → P4/mmm
FePt (FePt, 2 sites) — GPSK-300 1 - geometry optimization report
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -14.9696 eV; ΔE = -0.0101 eV; symmetry: P4/mmm → P4/mmm