P LATTICE,NONEQUIV.ATOMS 13 11 P21/m MODE OF CALC=RELA unit=bohr 24.871631 16.425878 8.137539 90.000000 90.000000 99.450000 ATOM -1: X=0.81350000 Y=0.58890000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.18650000 Y=0.41110000 Z=0.75000000 Y NPT= 781 R0=.000010000 RMT= 2.50000 Z: 39.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.81280000 Y=0.06730000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.18720000 Y=0.93270000 Z=0.75000000 Y NPT= 781 R0=.000010000 RMT= 2.50000 Z: 39.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.56040000 Y=0.76530000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.43960000 Y=0.23470000 Z=0.75000000 Y NPT= 781 R0=.000010000 RMT= 2.50000 Z: 39.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.08830000 Y=0.14960000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.91170000 Y=0.85040000 Z=0.75000000 Pt NPT= 781 R0=.000005000 RMT= 2.32 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.10080000 Y=0.64730000 Z=0.25000000 MULT= 2 ISPLIT= 8 -5: X=0.89920000 Y=0.35270000 Z=0.75000000 Pt NPT= 781 R0=.000005000 RMT= 2.32 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.37510000 Y=0.46720000 Z=0.25000000 MULT= 2 ISPLIT= 8 -6: X=0.62490000 Y=0.53280000 Z=0.75000000 Pt NPT= 781 R0=.000005000 RMT= 2.32 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.37470000 Y=0.97030000 Z=0.25000000 MULT= 2 ISPLIT= 8 -7: X=0.62530000 Y=0.02970000 Z=0.75000000 Pt NPT= 781 R0=.000005000 RMT= 2.32 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.00420000 Y=0.87380000 Z=0.25000000 MULT= 2 ISPLIT= 8 -8: X=0.99580000 Y=0.12620000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.10 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.99990000 Y=0.37770000 Z=0.25000000 MULT= 2 ISPLIT= 8 -9: X=0.00010000 Y=0.62230000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.10 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.27820000 Y=0.19450000 Z=0.25000000 MULT= 2 ISPLIT= 8 -10: X=0.72180000 Y=0.80550000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.10 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -11: X=0.28230000 Y=0.69570000 Z=0.25000000 MULT= 2 ISPLIT= 8 -11: X=0.71770000 Y=0.30430000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.10 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -12: X=0.56910000 Y=0.41450000 Z=0.25000000 MULT= 2 ISPLIT= 8 -12: X=0.43090000 Y=0.58550000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.10 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -13: X=0.56850000 Y=0.11910000 Z=0.25000000 MULT= 2 ISPLIT= 8 -13: X=0.43150000 Y=0.88090000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.10 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000