P LATTICE,NONEQUIV.ATOMS 4 11 P21/m MODE OF CALC=RELA unit=bohr 19.093793 11.139558 7.419821 90.000000 90.000000 97.930000 ATOM -1: X=0.16571000 Y=0.78825000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.83429000 Y=0.21175000 Z=0.75000000 Zr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 40.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.05515000 Y=0.26355000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.94485000 Y=0.73645000 Z=0.75000000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.66749000 Y=0.93267000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.33251000 Y=0.06733000 Z=0.75000000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.66096000 Y=0.40477000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.33904000 Y=0.59523000 Z=0.75000000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000