P LATTICE,NONEQUIV.ATOMS 4 31 Pmn21 MODE OF CALC=RELA unit=bohr 5.928071 10.282000 9.735869 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.41770000 Z=0.50330000 MULT= 2 ISPLIT= 8 -1: X=0.50000000 Y=0.58230000 Z=0.00330000 Si NPT= 781 R0=.000100000 RMT= 1.64 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.09050000 Z=0.99230000 MULT= 2 ISPLIT= 8 -2: X=0.50000000 Y=0.90950000 Z=0.49230000 Ga NPT= 781 R0=.000050000 RMT= 2.03 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -3: X=0.00000000 Y=0.43410000 Z=0.13640000 MULT= 2 ISPLIT= 8 -3: X=0.50000000 Y=0.56590000 Z=0.63640000 N NPT= 781 R0=.000100000 RMT= 1.75 Z: 7.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.10170000 Z=0.60390000 MULT= 2 ISPLIT= 8 -4: X=0.50000000 Y=0.89830000 Z=0.10390000 C NPT= 781 R0=.000100000 RMT= 1.67 Z: 6.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000