P LATTICE,NONEQUIV.ATOMS 2 62 Pnma MODE OF CALC=RELA unit=bohr 19.785433 6.859706 8.088028 90.000000 90.000000 90.000000 ATOM -1: X=0.12200000 Y=0.25000000 Z=0.37300000 MULT= 4 ISPLIT= 8 -1: X=0.87800000 Y=0.75000000 Z=0.62700000 -1: X=0.62200000 Y=0.25000000 Z=0.12700000 -1: X=0.37800000 Y=0.75000000 Z=0.87300000 Ge NPT= 781 R0=.000050000 RMT= 2.45 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 -2: X=0.35900000 Y=0.25000000 Z=0.50100000 MULT= 4 ISPLIT= 8 -2: X=0.64100000 Y=0.75000000 Z=0.49900000 -2: X=0.85900000 Y=0.25000000 Z=0.99900000 -2: X=0.14100000 Y=0.75000000 Z=0.00100000 S NPT= 781 R0=.000100000 RMT= 2.10 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000