H LATTICE,NONEQUIV.ATOMS 4 189 P-62m MODE OF CALC=RELA unit=bohr 14.567521 14.567521 7.841608 90.000000 90.000000120.000000 ATOM -1: X=0.33333333 Y=0.66666667 Z=0.00000000 MULT= 2 ISPLIT=15 -1: X=0.66666667 Y=0.33333333 Z=0.00000000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.18800000 Y=0.00000000 Z=0.00000000 MULT= 3 ISPLIT=15 -2: X=0.81200000 Y=0.81200000 Z=0.00000000 -2: X=0.00000000 Y=0.18800000 Z=0.00000000 Zn NPT= 781 R0=.000050000 RMT= 2.00000 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.70890000 Y=0.00000000 Z=0.50000000 MULT= 3 ISPLIT=15 -3: X=0.29110000 Y=0.29110000 Z=0.50000000 -3: X=0.00000000 Y=0.70890000 Z=0.50000000 Zn NPT= 781 R0=.000050000 RMT= 2.00000 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.37750000 Y=0.00000000 Z=0.50000000 MULT= 3 ISPLIT=15 -4: X=0.62250000 Y=0.62250000 Z=0.50000000 -4: X=0.00000000 Y=0.37750000 Z=0.50000000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000