slab ( 1 1 1), shift= 0.0000, vacuum layer is 8.00Angs. P 10 RELA 7.636753 7.636753 30.706266 90.000000 90.000000 60.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.24616814 MULT= 1 ISPLIT= 2 Fe NPT= 781 R0=0.00010000 RMT= 2.32000 Z: 26.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.33333333 Y=0.33333333 Z=0.29693451 MULT= 1 ISPLIT= 2 Fe NPT= 781 R0=0.00010000 RMT= 2.32000 Z: 26.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.66666667 Y=0.66666667 Z=0.34770089 MULT= 1 ISPLIT= 2 Fe NPT= 781 R0=0.00010000 RMT= 2.32000 Z: 26.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.00000000 Y=0.00000000 Z=0.39846726 MULT= 1 ISPLIT= 2 Fe NPT= 781 R0=0.00010000 RMT= 2.32000 Z: 26.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.33333333 Y=0.33333333 Z=0.44923363 MULT= 1 ISPLIT= 2 Fe NPT= 781 R0=0.00010000 RMT= 2.32000 Z: 26.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.66666667 Y=0.66666667 Z=0.50000000 MULT= 1 ISPLIT= 2 Fe NPT= 781 R0=0.00010000 RMT= 2.32000 Z: 26.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.00000000 Y=0.00000000 Z=0.55076637 MULT= 1 ISPLIT= 2 Fe NPT= 781 R0=0.00010000 RMT= 2.32000 Z: 26.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.33333333 Y=0.33333333 Z=0.60153274 MULT= 1 ISPLIT= 2 Fe NPT= 781 R0=0.00010000 RMT= 2.32000 Z: 26.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.66666667 Y=0.66666667 Z=0.65229911 MULT= 1 ISPLIT= 2 Fe NPT= 781 R0=0.00010000 RMT= 2.32000 Z: 26.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.00000000 Y=0.00000000 Z=0.70306549 MULT= 1 ISPLIT= 2 Fe NPT= 781 R0=0.00010000 RMT= 2.32000 Z: 26.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0 NUMBER OF SYMMETRY OPERATIONS