P LATTICE,NONEQUIV.ATOMS 5 57 Pbcm MODE OF CALC=RELA unit=bohr 10.898051 21.624136 10.472673 90.000000 90.000000 90.000000 ATOM -1: X=0.14976000 Y=0.60759000 Z=0.25000000 MULT= 4 ISPLIT=15 -1: X=0.85024000 Y=0.39241000 Z=0.75000000 -1: X=0.85024000 Y=0.10759000 Z=0.25000000 -1: X=0.14976000 Y=0.89241000 Z=0.75000000 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=0.48000000 Y=0.33565000 Z=0.25000000 MULT= 4 ISPLIT=15 -2: X=0.52000000 Y=0.66435000 Z=0.75000000 -2: X=0.52000000 Y=0.83565000 Z=0.25000000 -2: X=0.48000000 Y=0.16435000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.00000 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.34330000 Y=0.01120000 Z=0.25000000 MULT= 4 ISPLIT=15 -3: X=0.65670000 Y=0.98880000 Z=0.75000000 -3: X=0.65670000 Y=0.51120000 Z=0.25000000 -3: X=0.34330000 Y=0.48880000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 2.00000 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.09710000 Y=0.34490000 Z=0.25000000 MULT= 4 ISPLIT=15 -4: X=0.90290000 Y=0.65510000 Z=0.75000000 -4: X=0.90290000 Y=0.84490000 Z=0.25000000 -4: X=0.09710000 Y=0.15510000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 2.00000 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.62290000 Y=0.25000000 Z=0.00000000 MULT= 4 ISPLIT=15 -5: X=0.37710000 Y=0.75000000 Z=0.00000000 -5: X=0.62290000 Y=0.25000000 Z=0.50000000 -5: X=0.37710000 Y=0.75000000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 2.00000 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000