P LATTICE,NONEQUIV.ATOMS 4 130 P4/ncc MODE OF CALC=RELA unit=bohr 14.451492 14.451492 26.733956 90.000000 90.000000 90.000000 ATOM -1: X=0.25000000 Y=0.25000000 Z=0.00600000 MULT= 4 ISPLIT=-2 -1: X=0.75000000 Y=0.75000000 Z=0.99400000 -1: X=0.25000000 Y=0.25000000 Z=0.50600000 -1: X=0.75000000 Y=0.75000000 Z=0.49400000 Ga NPT= 781 R0=.000050000 RMT= 2.50000 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=0.37320000 Y=0.62680000 Z=0.25000000 MULT= 8 ISPLIT= 8 -2: X=0.62680000 Y=0.37320000 Z=0.75000000 -2: X=0.87320000 Y=0.37320000 Z=0.25000000 -2: X=0.12680000 Y=0.62680000 Z=0.75000000 -2: X=0.12680000 Y=0.87320000 Z=0.25000000 -2: X=0.87320000 Y=0.12680000 Z=0.75000000 -2: X=0.62680000 Y=0.12680000 Z=0.25000000 -2: X=0.37320000 Y=0.87320000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.50000 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=0.25000000 Y=0.25000000 Z=0.23970000 MULT= 4 ISPLIT=-2 -3: X=0.75000000 Y=0.75000000 Z=0.76030000 -3: X=0.25000000 Y=0.25000000 Z=0.73970000 -3: X=0.75000000 Y=0.75000000 Z=0.26030000 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 ATOM -4: X=0.08790000 Y=0.57770000 Z=0.10270000 MULT=16 ISPLIT= 8 -4: X=0.91210000 Y=0.42230000 Z=0.89730000 -4: X=0.92230000 Y=0.08790000 Z=0.10270000 -4: X=0.07770000 Y=0.91210000 Z=0.89730000 -4: X=0.41210000 Y=0.57770000 Z=0.60270000 -4: X=0.58790000 Y=0.42230000 Z=0.39730000 -4: X=0.41210000 Y=0.92230000 Z=0.10270000 -4: X=0.58790000 Y=0.07770000 Z=0.89730000 -4: X=0.92230000 Y=0.41210000 Z=0.60270000 -4: X=0.07770000 Y=0.58790000 Z=0.39730000 -4: X=0.57770000 Y=0.41210000 Z=0.10270000 -4: X=0.42230000 Y=0.58790000 Z=0.89730000 -4: X=0.08790000 Y=0.92230000 Z=0.60270000 -4: X=0.91210000 Y=0.07770000 Z=0.39730000 -4: X=0.57770000 Y=0.08790000 Z=0.60270000 -4: X=0.42230000 Y=0.91210000 Z=0.39730000 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