P LATTICE,NONEQUIV.ATOMS 4 130 P4/ncc MODE OF CALC=RELA unit=bohr 22.391554 22.391554 12.694046 90.000000 90.000000 90.000000 ATOM -1: X=0.03709000 Y=0.16323000 Z=0.35250000 MULT=16 ISPLIT=15 -1: X=0.96291000 Y=0.83677000 Z=0.64750000 -1: X=0.33677000 Y=0.03709000 Z=0.35250000 -1: X=0.66323000 Y=0.96291000 Z=0.64750000 -1: X=0.46291000 Y=0.16323000 Z=0.85250000 -1: X=0.53709000 Y=0.83677000 Z=0.14750000 -1: X=0.46291000 Y=0.33677000 Z=0.35250000 -1: X=0.53709000 Y=0.66323000 Z=0.64750000 -1: X=0.33677000 Y=0.46291000 Z=0.85250000 -1: X=0.66323000 Y=0.53709000 Z=0.14750000 -1: X=0.16323000 Y=0.46291000 Z=0.35250000 -1: X=0.83677000 Y=0.53709000 Z=0.64750000 -1: X=0.03709000 Y=0.33677000 Z=0.85250000 -1: X=0.96291000 Y=0.66323000 Z=0.14750000 -1: X=0.16323000 Y=0.03709000 Z=0.85250000 -1: X=0.83677000 Y=0.96291000 Z=0.14750000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.75000000 Y=0.25000000 Z=0.00000000 MULT= 4 ISPLIT=15 -2: X=0.25000000 Y=0.75000000 Z=0.00000000 -2: X=0.75000000 Y=0.25000000 Z=0.50000000 -2: X=0.25000000 Y=0.75000000 Z=0.50000000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.40950000 Y=0.59050000 Z=0.25000000 MULT= 8 ISPLIT=15 -3: X=0.59050000 Y=0.40950000 Z=0.75000000 -3: X=0.90950000 Y=0.40950000 Z=0.25000000 -3: X=0.09050000 Y=0.59050000 Z=0.75000000 -3: X=0.09050000 Y=0.90950000 Z=0.25000000 -3: X=0.90950000 Y=0.09050000 Z=0.75000000 -3: X=0.59050000 Y=0.09050000 Z=0.25000000 -3: X=0.40950000 Y=0.90950000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.25000000 Y=0.25000000 Z=0.09770000 MULT= 4 ISPLIT=15 -4: X=0.75000000 Y=0.75000000 Z=0.90230000 -4: X=0.25000000 Y=0.25000000 Z=0.59770000 -4: X=0.75000000 Y=0.75000000 Z=0.40230000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000