P LATTICE,NONEQUIV.ATOMS 7 62 Pnma MODE OF CALC=RELA unit=bohr 10.365148 7.715752 34.763402 90.000000 90.000000 90.000000 ATOM -1: X=0.20600000 Y=0.25000000 Z=0.45700000 MULT= 4 ISPLIT= 8 -1: X=0.79400000 Y=0.75000000 Z=0.54300000 -1: X=0.70600000 Y=0.25000000 Z=0.04300000 -1: X=0.29400000 Y=0.75000000 Z=0.95700000 Ga NPT= 781 R0=.000050000 RMT= 2.30 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=0.16900000 Y=0.25000000 Z=0.17700000 MULT= 4 ISPLIT= 8 -2: X=0.83100000 Y=0.75000000 Z=0.82300000 -2: X=0.66900000 Y=0.25000000 Z=0.32300000 -2: X=0.33100000 Y=0.75000000 Z=0.67700000 Ga NPT= 781 R0=.000050000 RMT= 2.30 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=0.13200000 Y=0.25000000 Z=0.73500000 MULT= 4 ISPLIT= 8 -3: X=0.86800000 Y=0.75000000 Z=0.26500000 -3: X=0.63200000 Y=0.25000000 Z=0.76500000 -3: X=0.36800000 Y=0.75000000 Z=0.23500000 Pd NPT= 781 R0=.000010000 RMT= 2.42 Z: 46.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.17000000 Y=0.25000000 Z=0.03100000 MULT= 4 ISPLIT= 8 -4: X=0.83000000 Y=0.75000000 Z=0.96900000 -4: X=0.67000000 Y=0.25000000 Z=0.46900000 -4: X=0.33000000 Y=0.75000000 Z=0.53100000 Pd NPT= 781 R0=.000010000 RMT= 2.42 Z: 46.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.03600000 Y=0.25000000 Z=0.58900000 MULT= 4 ISPLIT= 8 -5: X=0.96400000 Y=0.75000000 Z=0.41100000 -5: X=0.53600000 Y=0.25000000 Z=0.91100000 -5: X=0.46400000 Y=0.75000000 Z=0.08900000 Pd NPT= 781 R0=.000010000 RMT= 2.42 Z: 46.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.16700000 Y=0.25000000 Z=0.32100000 MULT= 4 ISPLIT= 8 -6: X=0.83300000 Y=0.75000000 Z=0.67900000 -6: X=0.66700000 Y=0.25000000 Z=0.17900000 -6: X=0.33300000 Y=0.75000000 Z=0.82100000 Pd NPT= 781 R0=.000010000 RMT= 2.42 Z: 46.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -7: X=0.53700000 Y=0.25000000 Z=0.61700000 MULT= 4 ISPLIT= 8 -7: X=0.46300000 Y=0.75000000 Z=0.38300000 -7: X=0.03700000 Y=0.25000000 Z=0.88300000 -7: X=0.96300000 Y=0.75000000 Z=0.11700000 Pd NPT= 781 R0=.000010000 RMT= 2.42 Z: 46.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000