2
Lattice="3.908001099227321 0.6462010610974369 1.9928787148795414e-16 -0.6381689024474232 3.8536143902920705 2.032205305745906e-16 -2.1101751905375418e-17 -1.7844108451152247e-18 15.006370421855387" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-10.328093893892218 stress="0.00013217763604654305 8.782522473408663e-05 -5.22330840320936e-08 8.782522473408663e-05 -0.0005951439383055048 8.96048199367252e-08 -5.22330840320936e-08 8.96048199367252e-08 1.1966148586853391e-05" dipole="-1.1075952233676496 -1.5378525792026077 -0.00024468103797706703" magmom=0.0 free_energy=-10.337664015743032 pbc="T T F"
Se       2.45248575       3.37463475       7.50000000       0.00000000      -0.00190821       0.00327019       0.00185373       0.00000000
Y        0.81732054       1.12515721       7.50637042       0.00000000       0.00190820      -0.00327042      -0.00180902       0.00000000