################################################################################ # # # Gulp input file generated by # # SAINT # # Surface and Interface Toolkit for the Materials Chemistry Community # # saint.chem.ucl.ac.uk # # # # ( 1 0 0) Surface # # Region sizes: 3 0 # # Model periodic in 2 dimensions # # # ################################################################################ single noeng title SAINT-generated ( 1 0 0) surface end scell 8.422000 8.422000 90.000000 sfractional region 1 O1 core 0.000000 0.000000 -0.000000 O1 core 0.000000 0.500000 -0.000000 O1 core 0.500000 0.000000 -0.000000 O1 core 0.500000 0.500000 -0.000000 O1 core 0.250000 0.250000 -0.000000 O1 core 0.250000 0.750000 -0.000000 O1 core 0.750000 0.250000 -0.000000 O1 core 0.750000 0.750000 -0.000000 Mg1 core 0.250000 0.000000 -0.000000 Mg1 core 0.250000 0.500000 -0.000000 Mg1 core 0.750000 0.000000 -0.000000 Mg1 core 0.750000 0.500000 -0.000000 Mg1 core 0.000000 0.250000 -0.000000 Mg1 core 0.000000 0.750000 -0.000000 Mg1 core 0.500000 0.250000 -0.000000 Mg1 core 0.500000 0.750000 -0.000000 O1 core 0.000000 0.250000 -2.105500 O1 core 0.000000 0.750000 -2.105500 O1 core 0.500000 0.250000 -2.105500 O1 core 0.500000 0.750000 -2.105500 O1 core 0.250000 0.000000 -2.105500 O1 core 0.250000 0.500000 -2.105500 O1 core 0.750000 0.000000 -2.105500 O1 core 0.750000 0.500000 -2.105500 Mg1 core 0.250000 0.250000 -2.105500 Mg1 core 0.250000 0.750000 -2.105500 Mg1 core 0.750000 0.250000 -2.105500 Mg1 core 0.750000 0.750000 -2.105500 Mg1 core 0.000000 0.000000 -2.105500 Mg1 core 0.000000 0.500000 -2.105500 Mg1 core 0.500000 0.000000 -2.105500 Mg1 core 0.500000 0.500000 -2.105500 O1 core 0.000000 0.000000 -4.211000 O1 core 0.000000 0.500000 -4.211000 O1 core 0.500000 0.000000 -4.211000 O1 core 0.500000 0.500000 -4.211000 O1 core 0.250000 0.250000 -4.211000 O1 core 0.250000 0.750000 -4.211000 O1 core 0.750000 0.250000 -4.211000 O1 core 0.750000 0.750000 -4.211000 Mg1 core 0.250000 0.000000 -4.211000 Mg1 core 0.250000 0.500000 -4.211000 Mg1 core 0.750000 0.000000 -4.211000 Mg1 core 0.750000 0.500000 -4.211000 Mg1 core 0.000000 0.250000 -4.211000 Mg1 core 0.000000 0.750000 -4.211000 Mg1 core 0.500000 0.250000 -4.211000 Mg1 core 0.500000 0.750000 -4.211000