P LATTICE,NONEQUIV.ATOMS 8 51 Pmma MODE OF CALC=RELA unit=bohr 31.067098 7.411506 10.370817 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.50000000 Y=0.00000000 Z=0.00000000 Ga NPT= 781 R0=.000050000 RMT= 2.33 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.25000000 Y=0.50000000 Z=0.78400000 MULT= 2 ISPLIT= 8 -2: X=0.75000000 Y=0.50000000 Z=0.21600000 Ga NPT= 781 R0=.000050000 RMT= 2.33 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=0.08700000 Y=0.50000000 Z=0.27200000 MULT= 4 ISPLIT= 8 -3: X=0.91300000 Y=0.50000000 Z=0.72800000 -3: X=0.58700000 Y=0.50000000 Z=0.72800000 -3: X=0.41300000 Y=0.50000000 Z=0.27200000 Ga NPT= 781 R0=.000050000 RMT= 2.33 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.00000000 Z=0.50000000 MULT= 2 ISPLIT= 8 -4: X=0.50000000 Y=0.00000000 Z=0.50000000 Pt NPT= 781 R0=.000005000 RMT= 2.50000 Z: 78.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.25000000 Y=0.50000000 Z=0.28100000 MULT= 2 ISPLIT= 8 -5: X=0.75000000 Y=0.50000000 Z=0.71900000 Pt NPT= 781 R0=.000005000 RMT= 2.50000 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.57600000 Y=0.50000000 Z=0.21600000 MULT= 4 ISPLIT= 8 -6: X=0.42400000 Y=0.50000000 Z=0.78400000 -6: X=0.07600000 Y=0.50000000 Z=0.78400000 -6: X=0.92400000 Y=0.50000000 Z=0.21600000 Pt NPT= 781 R0=.000005000 RMT= 2.50000 Z: 78.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -7: X=0.16200000 Y=0.00000000 Z=0.03200000 MULT= 4 ISPLIT= 8 -7: X=0.83800000 Y=0.00000000 Z=0.96800000 -7: X=0.66200000 Y=0.00000000 Z=0.96800000 -7: X=0.33800000 Y=0.00000000 Z=0.03200000 Pt NPT= 781 R0=.000005000 RMT= 2.50000 Z: 78.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -8: X=0.16600000 Y=0.00000000 Z=0.54200000 MULT= 4 ISPLIT= 8 -8: X=0.83400000 Y=0.00000000 Z=0.45800000 -8: X=0.66600000 Y=0.00000000 Z=0.45800000 -8: X=0.33400000 Y=0.00000000 Z=0.54200000 Pt NPT= 781 R0=.000005000 RMT= 2.50000 Z: 78.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000