4
Lattice="3.860727 -0.003516 -0.003456 0.063864 3.8602 -0.003456 0.063864 0.062758 3.859692" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-25.261874713025374 stress="-0.04270579489441875 0.0016259547524770472 0.001598364699693797 0.0016259547524770472 -0.04276273440641836 0.001570687971243239 0.001598364699693797 0.001570687971243239 -0.04281122953865749" dipole="7.717372851612202e-08 1.0254957189214541e-07 -7.157465001826735e-09" magmom=0.9999104734785433 pbc="T T T"
F        1.93036197      -0.00175800      -0.00172800       1.00000000       0.00003060      -0.00000442      -0.00000029      -0.00263904
F        0.03193197       1.93009796      -0.00172800       1.00000000      -0.00000279       0.00004056      -0.00000039      -0.00263906
F        0.03193200       0.03137900       1.92984600       1.00000000      -0.00000315      -0.00000410       0.00000061      -0.00263904
Ti       0.00000000       0.00000000       0.00000000       1.00000000      -0.00002433      -0.00003161       0.00000008       0.91506960