H LATTICE,NONEQUIV.ATOMS 4 190 P-62c MODE OF CALC=RELA unit=bohr 13.574659 13.574659 13.613776 90.000000 90.000000120.000000 ATOM -1: X=0.25380000 Y=0.00000000 Z=0.00000000 MULT= 6 ISPLIT= 8 -1: X=0.74620000 Y=0.74620000 Z=0.50000000 -1: X=0.00000000 Y=0.25380000 Z=0.50000000 -1: X=0.00000000 Y=0.25380000 Z=0.00000000 -1: X=0.25380000 Y=0.00000000 Z=0.50000000 -1: X=0.74620000 Y=0.74620000 Z=0.00000000 Al NPT= 781 R0=.000100000 RMT= 2.17 Z: 13.00000 LOCAL ROT MATRIX: 0.0000000-0.5000000 0.8660254 0.0000000-0.8660254-0.5000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.41190000 Y=0.39020000 Z=0.25000000 MULT= 6 ISPLIT= 8 -2: X=0.97830000 Y=0.58810000 Z=0.25000000 -2: X=0.39020000 Y=0.41190000 Z=0.75000000 -2: X=0.60980000 Y=0.02170000 Z=0.25000000 -2: X=0.02170000 Y=0.60980000 Z=0.75000000 -2: X=0.58810000 Y=0.97830000 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 -3: X=0.00000000 Y=0.00000000 Z=0.25000000 MULT= 2 ISPLIT= 4 -3: X=0.00000000 Y=0.00000000 Z=0.75000000 Pt NPT= 781 R0=.000005000 RMT= 2.50000 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.33333333 Y=0.66666667 Z=0.02820000 MULT= 4 ISPLIT= 4 -4: X=0.33333334 Y=0.66666667 Z=0.47180000 -4: X=0.66666667 Y=0.33333333 Z=0.52820000 -4: X=0.66666666 Y=0.33333333 Z=0.97180000 Pt NPT= 781 R0=.000005000 RMT= 2.50000 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000