P LATTICE,NONEQUIV.ATOMS 6 62 Pnma MODE OF CALC=RELA unit=bohr 21.637364 18.281211 11.523550 90.000000 90.000000 90.000000 ATOM -1: X=0.09100000 Y=0.55300000 Z=0.12400000 MULT= 8 ISPLIT= 8 -1: X=0.90900000 Y=0.44700000 Z=0.87600000 -1: X=0.59100000 Y=0.55300000 Z=0.37600000 -1: X=0.40900000 Y=0.44700000 Z=0.62400000 -1: X=0.40900000 Y=0.05300000 Z=0.62400000 -1: X=0.59100000 Y=0.94700000 Z=0.37600000 -1: X=0.90900000 Y=0.05300000 Z=0.87600000 -1: X=0.09100000 Y=0.94700000 Z=0.12400000 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=0.25200000 Y=0.25000000 Z=0.82500000 MULT= 4 ISPLIT= 8 -2: X=0.74800000 Y=0.75000000 Z=0.17500000 -2: X=0.75200000 Y=0.25000000 Z=0.67500000 -2: X=0.24800000 Y=0.75000000 Z=0.32500000 Ga NPT= 781 R0=.000050000 RMT= 2.50000 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=0.00500000 Y=0.25000000 Z=0.62800000 MULT= 4 ISPLIT= 8 -3: X=0.99500000 Y=0.75000000 Z=0.37200000 -3: X=0.50500000 Y=0.25000000 Z=0.87200000 -3: X=0.49500000 Y=0.75000000 Z=0.12800000 Ga NPT= 781 R0=.000050000 RMT= 2.50000 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=0.29800000 Y=0.25000000 Z=0.39700000 MULT= 4 ISPLIT= 8 -4: X=0.70200000 Y=0.75000000 Z=0.60300000 -4: X=0.79800000 Y=0.25000000 Z=0.10300000 -4: X=0.20200000 Y=0.75000000 Z=0.89700000 Ga NPT= 781 R0=.000050000 RMT= 2.50000 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 -5: X=0.07400000 Y=0.25000000 Z=0.15200000 MULT= 4 ISPLIT= 8 -5: X=0.92600000 Y=0.75000000 Z=0.84800000 -5: X=0.57400000 Y=0.25000000 Z=0.34800000 -5: X=0.42600000 Y=0.75000000 Z=0.65200000 Y NPT= 781 R0=.000010000 RMT= 2.50000 Z: 39.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.35200000 Y=0.00900000 Z=0.11000000 MULT= 8 ISPLIT= 8 -6: X=0.64800000 Y=0.99100000 Z=0.89000000 -6: X=0.85200000 Y=0.00900000 Z=0.39000000 -6: X=0.14800000 Y=0.99100000 Z=0.61000000 -6: X=0.14800000 Y=0.50900000 Z=0.61000000 -6: X=0.85200000 Y=0.49100000 Z=0.39000000 -6: X=0.64800000 Y=0.50900000 Z=0.89000000 -6: X=0.35200000 Y=0.49100000 Z=0.11000000 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