P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 14.399713 8.352590 15.760316 90.000000 90.000000 90.000000 ATOM -1: X=0.14300000 Y=0.25000000 Z=0.06000000 MULT= 4 ISPLIT= 8 -1: X=0.85700000 Y=0.75000000 Z=0.94000000 -1: X=0.64300000 Y=0.25000000 Z=0.44000000 -1: X=0.35700000 Y=0.75000000 Z=0.56000000 Mg NPT= 781 R0=.000100000 RMT= 2.44 Z: 12.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.01900000 Y=0.25000000 Z=0.68000000 MULT= 4 ISPLIT= 8 -2: X=0.98100000 Y=0.75000000 Z=0.32000000 -2: X=0.51900000 Y=0.25000000 Z=0.82000000 -2: X=0.48100000 Y=0.75000000 Z=0.18000000 Ca NPT= 781 R0=.000050000 RMT= 2.50000 Z: 20.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.27000000 Y=0.25000000 Z=0.38300000 MULT= 4 ISPLIT= 8 -3: X=0.73000000 Y=0.75000000 Z=0.61700000 -3: X=0.77000000 Y=0.25000000 Z=0.11700000 -3: X=0.23000000 Y=0.75000000 Z=0.88300000 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