R LATTICE,NONEQUIV.ATOMS 6 146 R3 MODE OF CALC=RELA unit=bohr 21.790433 21.790433 9.919168 90.000000 90.000000120.000000 ATOM -1: X=0.05600000 Y=0.05600000 Z=0.05600000 MULT= 1 ISPLIT= 4 Ga NPT= 781 R0=.000050000 RMT= 2.24 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=0.46700000 Y=0.64799000 Z=0.87900000 MULT= 3 ISPLIT= 8 -2: X=0.64799000 Y=0.87900000 Z=0.46700000 -2: X=0.87900000 Y=0.46700000 Z=0.64799000 Ga NPT= 781 R0=.000050000 RMT= 2.24 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=0.54000000 Y=0.54000000 Z=0.54000000 MULT= 1 ISPLIT= 4 Pd NPT= 781 R0=.000010000 RMT= 2.29 Z: 46.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.59200000 Y=0.02800000 Z=0.85100000 MULT= 3 ISPLIT= 8 -4: X=0.02800000 Y=0.85100000 Z=0.59200000 -4: X=0.85100000 Y=0.59200000 Z=0.02800000 Pd NPT= 781 R0=.000010000 RMT= 2.29 Z: 46.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.38300000 Y=0.97399000 Z=0.13600000 MULT= 3 ISPLIT= 8 -5: X=0.97399000 Y=0.13600000 Z=0.38300000 -5: X=0.13600000 Y=0.38300000 Z=0.97399000 Pd NPT= 781 R0=.000010000 RMT= 2.29 Z: 46.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.53900000 Y=0.37101000 Z=0.09700000 MULT= 3 ISPLIT= 8 -6: X=0.37101000 Y=0.09700000 Z=0.53900000 -6: X=0.09700000 Y=0.53900000 Z=0.37101000 Zn NPT= 781 R0=.000050000 RMT= 2.29 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000