Findings from the first pass at tree searching
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.4767 eV; energy change = -0.0010 eV; symmetry: P4mm → P4mm
Magnetic density: 0.122511
0.066 eV/atom above hull
No imaginary modes
Number of atoms in the cell: 4
Easy axis y: -8085.064189 eV (θ=90.0°, φ=90.0°)
Hard axis z: -8085.064163 eV (θ=0.0°, φ=0.0°)
ΔMAE (hard-easy): 0.025787 meV
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.1189 eV; energy change = -0.0148 eV; symmetry: Pmm2 → Pmm2
Good properties all around, need to check MAE
Number of atoms in the cell: 4
Easy axis y: -8151.389433 eV (θ=90.0°, φ=90.0°)
Hard axis z: -8151.389422 eV (θ=0.0°, φ=0.0°)
ΔMAE (hard-easy): 0.010928 meV
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.8719 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm
Good properties, need to check MAE
Number of atoms in the cell: 4
Easy axis y: -8353.184698 eV (θ=90.0°, φ=90.0°)
Hard axis z: -8353.184681 eV (θ=0.0°, φ=0.0°)
ΔMAE (hard-easy): 0.016470 meV
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -39.1793 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm
Number of atoms in the cell: 5
Easy axis y: -8855.695232 eV (θ=90.0°, φ=90.0°)
Hard axis z: -8855.695223 eV (θ=0.0°, φ=0.0°)
ΔMAE (hard-easy): 0.008708 meV
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -63.4879 eV; energy change = -0.0030 eV; symmetry: P-4m2 → P-4m2
Number of atoms in the cell: 8
Easy axis z: -14656.866015 eV (θ=0.0°, φ=0.0°)
Hard axis x: -14656.865999 eV (θ=90.0°, φ=0.0°)
ΔMAE (hard-easy): 0.015791 meV