P LATTICE,NONEQUIV.ATOMS 6 62 Pnma MODE OF CALC=RELA unit=bohr 14.179182 8.729401 33.019185 90.000000 90.000000 90.000000 ATOM -1: X=0.16782000 Y=0.25000000 Z=0.34583000 MULT= 4 ISPLIT= 8 -1: X=0.83218000 Y=0.75000000 Z=0.65417000 -1: X=0.66782000 Y=0.25000000 Z=0.15417000 -1: X=0.33218000 Y=0.75000000 Z=0.84583000 In NPT= 781 R0=.000010000 RMT= 2.50000 Z: 49.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.28816000 Y=0.25000000 Z=0.18654000 MULT= 4 ISPLIT= 8 -2: X=0.71184000 Y=0.75000000 Z=0.81346000 -2: X=0.78816000 Y=0.25000000 Z=0.31346000 -2: X=0.21184000 Y=0.75000000 Z=0.68654000 Ge NPT= 781 R0=.000050000 RMT= 2.50000 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.72330000 Y=0.25000000 Z=0.56697000 MULT= 4 ISPLIT= 8 -3: X=0.27670000 Y=0.75000000 Z=0.43303000 -3: X=0.22330000 Y=0.25000000 Z=0.93303000 -3: X=0.77670000 Y=0.75000000 Z=0.06697000 Ge NPT= 781 R0=.000050000 RMT= 2.50000 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.15778000 Y=0.25000000 Z=0.56030000 MULT= 4 ISPLIT= 8 -4: X=0.84222000 Y=0.75000000 Z=0.43970000 -4: X=0.65778000 Y=0.25000000 Z=0.93970000 -4: X=0.34222000 Y=0.75000000 Z=0.06030000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.49914000 Y=0.25000000 Z=0.72264000 MULT= 4 ISPLIT= 8 -5: X=0.50086000 Y=0.75000000 Z=0.27736000 -5: X=0.99914000 Y=0.25000000 Z=0.77736000 -5: X=0.00086000 Y=0.75000000 Z=0.22264000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.01490000 Y=0.25000000 Z=0.06650000 MULT= 4 ISPLIT= 8 -6: X=0.98510000 Y=0.75000000 Z=0.93350000 -6: X=0.51490000 Y=0.25000000 Z=0.43350000 -6: X=0.48510000 Y=0.75000000 Z=0.56650000 Li NPT= 781 R0=.000100000 RMT= 2.24 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000