P LATTICE,NONEQUIV.ATOMS 6 62 Pnma MODE OF CALC=RELA unit=bohr 19.554886 7.942519 33.680589 90.000000 90.000000 90.000000 ATOM -1: X=0.32120000 Y=0.25000000 Z=0.06550000 MULT= 4 ISPLIT= 8 -1: X=0.67880000 Y=0.75000000 Z=0.93450000 -1: X=0.82120000 Y=0.25000000 Z=0.43450000 -1: X=0.17880000 Y=0.75000000 Z=0.56550000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.18300000 Y=0.25000000 Z=0.86910000 MULT= 4 ISPLIT= 8 -2: X=0.81700000 Y=0.75000000 Z=0.13090000 -2: X=0.68300000 Y=0.25000000 Z=0.63090000 -2: X=0.31700000 Y=0.75000000 Z=0.36910000 Ga NPT= 781 R0=.000050000 RMT= 2.43 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 -3: X=0.16850000 Y=0.25000000 Z=0.39850000 MULT= 4 ISPLIT= 8 -3: X=0.83150000 Y=0.75000000 Z=0.60150000 -3: X=0.66850000 Y=0.25000000 Z=0.10150000 -3: X=0.33150000 Y=0.75000000 Z=0.89850000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.11200000 Y=0.25000000 Z=0.72630000 MULT= 4 ISPLIT= 8 -4: X=0.88800000 Y=0.75000000 Z=0.27370000 -4: X=0.61200000 Y=0.25000000 Z=0.77370000 -4: X=0.38800000 Y=0.75000000 Z=0.22630000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.46550000 Y=0.25000000 Z=0.55030000 MULT= 4 ISPLIT= 8 -5: X=0.53450000 Y=0.75000000 Z=0.44970000 -5: X=0.96550000 Y=0.25000000 Z=0.94970000 -5: X=0.03450000 Y=0.75000000 Z=0.05030000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.07080000 Y=0.25000000 Z=0.25000000 MULT= 4 ISPLIT= 8 -6: X=0.92920000 Y=0.75000000 Z=0.75000000 -6: X=0.57080000 Y=0.25000000 Z=0.25000000 -6: X=0.42920000 Y=0.75000000 Z=0.75000000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000