H LATTICE,NONEQUIV.ATOMS 4 190 P-62c MODE OF CALC=RELA unit=bohr 13.525148 13.525148 13.028717 90.000000 90.000000120.000000 ATOM -1: X=0.40871000 Y=0.38810000 Z=0.25000000 MULT= 6 ISPLIT= 8 -1: X=0.97939000 Y=0.59129000 Z=0.25000000 -1: X=0.38810000 Y=0.40871000 Z=0.75000000 -1: X=0.61190000 Y=0.02061000 Z=0.25000000 -1: X=0.02061000 Y=0.61190000 Z=0.75000000 -1: X=0.59129000 Y=0.97939000 Z=0.75000000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.33333333 Y=0.66666667 Z=0.03040000 MULT= 4 ISPLIT= 4 -2: X=0.33333334 Y=0.66666667 Z=0.46960000 -2: X=0.66666667 Y=0.33333333 Z=0.53040000 -2: X=0.66666666 Y=0.33333333 Z=0.96960000 Pd NPT= 781 R0=.000010000 RMT= 2.48 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 -3: X=0.00000000 Y=0.00000000 Z=0.25000000 MULT= 2 ISPLIT= 4 -3: X=0.00000000 Y=0.00000000 Z=0.75000000 Pd NPT= 781 R0=.000010000 RMT= 2.48 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=0.26820000 Y=0.00000000 Z=0.00000000 MULT= 6 ISPLIT= 8 -4: X=0.73180000 Y=0.73180000 Z=0.50000000 -4: X=0.00000000 Y=0.26820000 Z=0.50000000 -4: X=0.00000000 Y=0.26820000 Z=0.00000000 -4: X=0.26820000 Y=0.00000000 Z=0.50000000 -4: X=0.73180000 Y=0.73180000 Z=0.00000000 Ga NPT= 781 R0=.000050000 RMT= 2.36 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000-0.5000000 0.8660254 0.0000000-0.8660254-0.5000000 1.0000000 0.0000000 0.0000000