TITL 14.press_4FT.res
CELL 0.56087 13.235 8.965 4.7852 90 90 90
ZERR 4 0.006 0.002 0.0013 0.00 0.00 0.00
LATT -1
SYMM 1/2-x,-y,1/2+z
SYMM 1/2+x,1/2-y,-z
SYMM -x,1/2+y,1/2-z
SFAC C H F
UNIT 28 28 4
FVAR 1.00
C1    1  0.937600  0.754300 -0.443500  1.000000 0.045 0.058 =
        0.0361 -0.004 -0.0089 -0.006
C2    1  0.895300  0.620100 -0.348600  1.000000 0.073 0.056 =
        0.051 -0.016 -0.014 0.012
C3    1  0.822000  0.618200 -0.151300  1.000000 0.079 0.037 =
        0.055 0.005 -0.001 -0.005
C4    1  0.782900  0.752100 -0.057100  1.000000 0.045 0.054 =
        0.0422 0.001 -0.001 0.004
C5    1  0.818000  0.883500 -0.149300  1.000000 0.05 0.045 =
        0.053 0 -0.008 0.006
C6    1  0.896500  0.883100 -0.340900  1.000000 0.051 0.039 =
        0.049 0.001 0.003 -0.001
C7    1  1.023100  0.751700 -0.648200  1.000000 0.061 0.097 =
        0.0529 -0.01 0.0018 -0.003
F1    3  0.707220  0.749900  0.135000  1.000000 0.0621 0.0828 =
        0.0657 -0.007 0.0166 0.003
H1    2  0.918100  0.530300 -0.423000  1.000000 0.072
H2    2  0.798400  0.528200 -0.080000  1.000000 0.069
H3    2  0.790400  0.972700 -0.086000  1.000000 0.059
H4    2  0.922200  0.974000 -0.402200  1.000000 0.056
H5    2  1.077400  0.692800 -0.574100  1.000000 0.105
H6    2  1.046300  0.851700 -0.680600  1.000000 0.105
H7    2  1.000400  0.709000 -0.821100  1.000000 0.105
END