P LATTICE,NONEQUIV.ATOMS 3 125 P4/nbm MODE OF CALC=RELA unit=bohr 11.238201 11.238201 14.265543 90.000000 90.000000 90.000000 ATOM -1: X=0.25000000 Y=0.25000000 Z=0.16100000 MULT= 4 ISPLIT=-2 -1: X=0.75000000 Y=0.75000000 Z=0.83900000 -1: X=0.75000000 Y=0.75000000 Z=0.16100000 -1: X=0.25000000 Y=0.25000000 Z=0.83900000 Ga NPT= 781 R0=.000050000 RMT= 2.28 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 -2: X=0.43590000 Y=0.56410000 Z=0.34800000 MULT= 8 ISPLIT= 8 -2: X=0.56410000 Y=0.43590000 Z=0.65200000 -2: X=0.93590000 Y=0.43590000 Z=0.34800000 -2: X=0.06410000 Y=0.56410000 Z=0.65200000 -2: X=0.56410000 Y=0.06410000 Z=0.34800000 -2: X=0.43590000 Y=0.93590000 Z=0.65200000 -2: X=0.06410000 Y=0.93590000 Z=0.34800000 -2: X=0.93590000 Y=0.06410000 Z=0.65200000 Ga NPT= 781 R0=.000050000 RMT= 2.28 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 0.7071068 0.7071068 0.0000000-0.7071068 0.7071068 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.75000000 Y=0.25000000 Z=0.00000000 MULT= 2 ISPLIT=-2 -3: X=0.25000000 Y=0.75000000 Z=0.00000000 Y NPT= 781 R0=.000010000 RMT= 2.50000 Z: 39.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000