MGO (001) surface - 1 layer slab CRYSTAL 0 0 0 225 4.21 2 12 0. 0. 0. 8 0.5 0.5 0.5 SLABCUT 0 0 1 Miller indices of the surface 1 1 surface layer, number of layers (1 3, 3-layer slab) END 12 3 0 0 8 2. 1. 68371.875 0.0002226 9699.34009 0.0018982 2041.176786 0.0110451 529.862906 0.0500627 159.186000 0.169123 54.6848 0.367031 21.2357 0.400410 8.74604 0.14987 0 1 6 8. 1. 156.795 -0.00624 0.00772 31.0339 -0.07882 0.06427 9.6453 -0.07992 0.2104 3.7109 0.29063 0.34314 1.61164 0.57164 0.3735 0.64294 0.30664 0.23286 0 1 1 0. 1. 0.4 1. 1. 8 3 0 0 8 2. 1. 4000. 0.00144 1355.58 0.00764 248.545 0.05370 69.5339 0.16818 23.8868 0.36039 9.27593 0.38612 3.82034 0.14712 1.23514 0.07105 0 1 5 8. 1. 52.1878 -0.00873 0.00922 10.3293 -0.08979 0.07068 3.21034 -0.04079 0.20433 1.23514 0.37666 0.34958 0.536420 0.42248 0.27774 0 1 1 0. 1. 0.210000 1. 1. 99 0 END TOLINTEG 7 7 7 7 14 SHRINK 8 8 FMIXING 30 END