 more lines more lines more lines   FINAL OPTIMIZED GEOMETRY - DIMENSIONALITY OF THE SYSTEM      0  (NON PERIODIC DIRECTION: LATTICE PARAMETER FORMALLY SET TO 000)  *******************************************************************************  LATTICE PARAMETERS (ANGSTROMS AND DEGREES) - BOHR = 0.0000000000 ANGSTROM  PRIMITIVE CELL - CENTRING CODE 0/0 VOLUME=   000.000000 - DENSITY  0.000 g/cm^0          A              B              C           ALPHA      BETA       GAMMA      0.00000000     0.00000000     0.00000000    00.000000  00.000000  00.000000  *******************************************************************************  ATOMS IN THE ASYMMETRIC UNIT    0 - ATOMS IN THE UNIT CELL:   00      ATOM                 X/A                 Y/B                 Z/C  *******************************************************************************       0 T  00 CA    0.000000000000E+00  0.000000000000E+00  0.000000000000E+00       0 F  00 CA   -0.000000000000E-00 -0.000000000000E-00 -0.000000000000E-00       0 T   0 C     0.000000000000E-00  0.000000000000E-00  0.000000000000E-00       0 F   0 C    -0.000000000000E-00 -0.000000000000E-00 -0.000000000000E-00       0 T   0 O    -0.000000000000E-00 -0.000000000000E-00  0.000000000000E-00       0 F   0 O     0.000000000000E-00 -0.000000000000E-00 -0.000000000000E-00       0 F   0 O    -0.000000000000E-00  0.000000000000E-00 -0.000000000000E-00       0 F   0 O     0.000000000000E-00  0.000000000000E-00 -0.000000000000E-00       0 F   0 O    -0.000000000000E-00  0.000000000000E-00  0.000000000000E-00      00 F   0 O     0.000000000000E-00 -0.000000000000E-00  0.000000000000E-00   TRANSFORMATION MATRIX PRIMITIVE-CRYSTALLOGRAPHIC CELL   0.0000  0.0000  0.0000 -0.0000  0.0000  0.0000  0.0000 -0.0000  0.0000   *******************************************************************************  CRYSTALLOGRAPHIC CELL (VOLUME=        000.00000000)          A              B              C           ALPHA      BETA       GAMMA      0.00000000     0.00000000    00.00000000    00.000000  00.000000 000.000000   COORDINATES IN THE CRYSTALLOGRAPHIC CELL      ATOM                 X/A                 Y/B                 Z/C  *******************************************************************************       0 T  00 CA    0.000000000000E+00  0.000000000000E+00  0.000000000000E+00       0 F  00 CA   -0.000000000000E-00 -0.000000000000E-00 -0.000000000000E-00       0 T   0 C     0.000000000000E-00 -0.000000000000E-00 -0.000000000000E-00       0 F   0 C    -0.000000000000E-00  0.000000000000E-00  0.000000000000E-00       0 T   0 O    -0.000000000000E-00 -0.000000000000E-00 -0.000000000000E-00       0 F   0 O     0.000000000000E-00 -0.000000000000E-00 -0.000000000000E-00       0 F   0 O     0.000000000000E-00  0.000000000000E-00 -0.000000000000E-00       0 F   0 O     0.000000000000E-00  0.000000000000E-00  0.000000000000E-00       0 F   0 O    -0.000000000000E-00  0.000000000000E-00  0.000000000000E-00      00 F   0 O    -0.000000000000E-00 -0.000000000000E-00  0.000000000000E-00   T = ATOM BELONGING TO THE ASYMMETRIC UNIT  INFORMATION **** fort.00 **** GEOMETRY OUTPUT FILE  more lines more lines more lines   FINAL OPTIMIZED GEOMETRY - DIMENSIONALITY OF THE SYSTEM      0  (NON PERIODIC DIRECTION: LATTICE PARAMETER FORMALLY SET TO 000)  *******************************************************************************  LATTICE PARAMETERS (ANGSTROMS AND DEGREES) - BOHR = 0.0000000000 ANGSTROM  PRIMITIVE CELL - CENTRING CODE 0/0 VOLUME=   000.000000 - DENSITY  0.000 g/cm^0          A              B              C           ALPHA      BETA       GAMMA      0.00000000     0.00000000     0.00000000    00.000000  00.000000  00.000000  *******************************************************************************  ATOMS IN THE ASYMMETRIC UNIT    0 - ATOMS IN THE UNIT CELL:   00      ATOM                 X/A                 Y/B                 Z/C  *******************************************************************************       0 T  00 CA    0.000000000000E+00  0.000000000000E+00  0.000000000000E+00       0 F  00 CA    0.000000000000E-00 -0.000000000000E-00 -0.000000000000E-00       0 T   0 C     0.000000000000E-00  0.000000000000E-00  0.000000000000E-00       0 F   0 C    -0.000000000000E-00 -0.000000000000E-00 -0.000000000000E-00       0 T   0 O    -0.000000000000E-00 -0.000000000000E-00  0.000000000000E-00       0 F   0 O     0.000000000000E-00 -0.000000000000E-00 -0.000000000000E-00       0 F   0 O    -0.000000000000E-00  0.000000000000E-00 -0.000000000000E-00       0 F   0 O     0.000000000000E-00  0.000000000000E-00 -0.000000000000E-00       0 F   0 O    -0.000000000000E-00  0.000000000000E-00  0.000000000000E-00      00 F   0 O     0.000000000000E-00 -0.000000000000E-00  0.000000000000E-00   TRANSFORMATION MATRIX PRIMITIVE-CRYSTALLOGRAPHIC CELL   0.0000  0.0000  0.0000 -0.0000  0.0000  0.0000  0.0000 -0.0000  0.0000   *******************************************************************************  CRYSTALLOGRAPHIC CELL (VOLUME=        000.00000000)          A              B              C           ALPHA      BETA       GAMMA      0.00000000     0.00000000    00.00000000    00.000000  00.000000 000.000000   COORDINATES IN THE CRYSTALLOGRAPHIC CELL      ATOM                 X/A                 Y/B                 Z/C  *******************************************************************************       0 T  00 CA    0.000000000000E+00  0.000000000000E+00  0.000000000000E+00       0 F  00 CA   -0.000000000000E-00 -0.000000000000E-00 -0.000000000000E-00       0 T   0 C     0.000000000000E-00 -0.000000000000E-00 -0.000000000000E-00       0 F   0 C    -0.000000000000E-00  0.000000000000E-00  0.000000000000E-00       0 T   0 O    -0.000000000000E-00 -0.000000000000E-00 -0.000000000000E-00       0 F   0 O     0.000000000000E-00 -0.000000000000E-00 -0.000000000000E-00       0 F   0 O     0.000000000000E-00  0.000000000000E-00 -0.000000000000E-00       0 F   0 O     0.000000000000E-00  0.000000000000E-00  0.000000000000E-00       0 F   0 O    -0.000000000000E-00  0.000000000000E-00  0.000000000000E-00      00 F   0 O    -0.000000000000E-00 -0.000000000000E-00  0.000000000000E-00   T = ATOM BELONGING TO THE ASYMMETRIC UNIT  INFORMATION **** fort.00 **** GEOMETRY OUTPUT FILE  more lines more lines more lines  