P LATTICE,NONEQUIV.ATOMS 13 11 P21/m MODE OF CALC=RELA unit=bohr 19.278986 18.530654 21.814998 90.000000 90.000000 90.600000 ATOM -1: X=0.62650000 Y=0.67350000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.37350000 Y=0.32650000 Z=0.75000000 Se NPT= 781 R0=.000050000 RMT= 2.11 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.04740000 Y=0.03930000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.95260000 Y=0.96070000 Z=0.75000000 Se NPT= 781 R0=.000050000 RMT= 2.11 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.26860000 Y=0.73490000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.73140000 Y=0.26510000 Z=0.75000000 Se NPT= 781 R0=.000050000 RMT= 2.11 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.80170000 Y=0.31930000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.19830000 Y=0.68070000 Z=0.75000000 Se NPT= 781 R0=.000050000 RMT= 2.11 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.71330000 Y=0.00670000 Z=0.08150000 MULT= 4 ISPLIT= 8 -5: X=0.28670000 Y=0.99330000 Z=0.91850000 -5: X=0.28670000 Y=0.99330000 Z=0.58150000 -5: X=0.71330000 Y=0.00670000 Z=0.41850000 Se NPT= 781 R0=.000050000 RMT= 2.11 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.04050000 Y=0.29620000 Z=0.58050000 MULT= 4 ISPLIT= 8 -6: X=0.95950000 Y=0.70380000 Z=0.41950000 -6: X=0.95950000 Y=0.70380000 Z=0.08050000 -6: X=0.04050000 Y=0.29620000 Z=0.91950000 Se NPT= 781 R0=.000050000 RMT= 2.11 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.35750000 Y=0.31700000 Z=0.07910000 MULT= 4 ISPLIT= 8 -7: X=0.64250000 Y=0.68300000 Z=0.92090000 -7: X=0.64250000 Y=0.68300000 Z=0.57910000 -7: X=0.35750000 Y=0.31700000 Z=0.42090000 Se NPT= 781 R0=.000050000 RMT= 2.11 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.05520000 Y=0.79940000 Z=0.25000000 MULT= 2 ISPLIT= 8 -8: X=0.94480000 Y=0.20060000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.11 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=0.82310000 Y=0.09170000 Z=0.25000000 MULT= 2 ISPLIT= 8 -9: X=0.17690000 Y=0.90830000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.11 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=0.26310000 Y=0.23310000 Z=0.58570000 MULT= 4 ISPLIT= 8 -10: X=0.73690000 Y=0.76690000 Z=0.41430000 -10: X=0.73690000 Y=0.76690000 Z=0.08570000 -10: X=0.26310000 Y=0.23310000 Z=0.91430000 Ge NPT= 781 R0=.000050000 RMT= 2.11 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=0.10630000 Y=0.40450000 Z=0.25000000 MULT= 2 ISPLIT= 8 -11: X=0.89370000 Y=0.59550000 Z=0.75000000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -12: X=0.41640000 Y=0.04120000 Z=0.25000000 MULT= 2 ISPLIT= 8 -12: X=0.58360000 Y=0.95880000 Z=0.75000000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -13: X=0.66760000 Y=0.36110000 Z=0.00680000 MULT= 4 ISPLIT= 8 -13: X=0.33240000 Y=0.63890000 Z=0.99320000 -13: X=0.33240000 Y=0.63890000 Z=0.50680000 -13: X=0.66760000 Y=0.36110000 Z=0.49320000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000