CXY LATTICE,NONEQUIV.ATOMS 15 36 Cmc21 MODE OF CALC=RELA unit=bohr 8.509437 37.955149 30.626791 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.01407000 Z=0.26386000 MULT= 2 ISPLIT=15 -1: X=0.00000000 Y=0.98593000 Z=0.76386000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.03174000 Z=0.00121000 MULT= 2 ISPLIT=15 -2: X=0.00000000 Y=0.96826000 Z=0.50121000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.16623000 Z=0.46131000 MULT= 2 ISPLIT=15 -3: X=0.00000000 Y=0.83377000 Z=0.96131000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.00000000 Y=0.17532000 Z=0.82109000 MULT= 2 ISPLIT=15 -4: X=0.00000000 Y=0.82468000 Z=0.32109000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.00000000 Y=0.11321000 Z=0.64388000 MULT= 2 ISPLIT=15 -5: X=0.00000000 Y=0.88679000 Z=0.14388000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 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 -6: X=0.00000000 Y=0.22442000 Z=0.28371000 MULT= 2 ISPLIT=15 -6: X=0.00000000 Y=0.77558000 Z=0.78371000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 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 -7: X=0.00000000 Y=0.23000000 Z=0.00000000 MULT= 2 ISPLIT=15 -7: X=0.00000000 Y=0.77000000 Z=0.50000000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 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 -8: X=0.00000000 Y=0.43406000 Z=0.36541000 MULT= 2 ISPLIT=15 -8: X=0.00000000 Y=0.56594000 Z=0.86541000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 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=0.00000000 Y=0.55554000 Z=0.41274000 MULT= 2 ISPLIT=15 -9: X=0.00000000 Y=0.44446000 Z=0.91274000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 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=0.00000000 Y=0.57176000 Z=0.13771000 MULT= 2 ISPLIT=15 -10: X=0.00000000 Y=0.42824000 Z=0.63771000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 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=0.00000000 Y=0.15518000 Z=0.14050000 MULT= 2 ISPLIT=15 -11: X=0.00000000 Y=0.84482000 Z=0.64050000 Mg NPT= 781 R0=.000100000 RMT= 2.00000 Z: 12.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -12: X=0.00000000 Y=0.30125000 Z=0.14380000 MULT= 2 ISPLIT=15 -12: X=0.00000000 Y=0.69875000 Z=0.64380000 Mg NPT= 781 R0=.000100000 RMT= 2.00000 Z: 12.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -13: X=0.00000000 Y=0.34066000 Z=0.49870000 MULT= 2 ISPLIT=15 -13: X=0.00000000 Y=0.65934000 Z=0.99870000 Mg NPT= 781 R0=.000100000 RMT= 2.00000 Z: 12.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -14: X=0.00000000 Y=0.44140000 Z=0.09700000 MULT= 2 ISPLIT=15 -14: X=0.00000000 Y=0.55860000 Z=0.59700000 Mg NPT= 781 R0=.000100000 RMT= 2.00000 Z: 12.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -15: X=0.00000000 Y=0.64990000 Z=0.28340000 MULT= 2 ISPLIT=15 -15: X=0.00000000 Y=0.35010000 Z=0.78340000 Mg NPT= 781 R0=.000100000 RMT= 2.00000 Z: 12.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000