22  22   1   0
  0.4545455E+02  0.1000000E-08  0.1000000E-08  0.1000000E-08  0.5000000E-15
  1.000000000000000E-004
  CAR 
 TMOS + H atom VASP opt.                 
      4.33126815    -27.22176373  301     -3.01692168      1.00000000
    -27.222  0.0000E+00  0.0000E+00
    -27.117  0.0000E+00  0.0000E+00
    -27.011  0.0000E+00  0.0000E+00
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    -26.696 -0.1250E-24 -0.1315E-25
    -26.591 -0.2049E-21 -0.2156E-22
    -26.486 -0.1920E-18 -0.2021E-19
    -26.380 -0.1001E-15 -0.1055E-16
    -26.275 -0.3021E-13 -0.3188E-14
    -26.170 -0.5198E-11 -0.5499E-12
    -26.065 -0.5052E-09 -0.5369E-10
    -25.960 -0.2755E-07 -0.2952E-08
    -25.854 -0.8333E-06 -0.9059E-07
    -25.749 -0.1366E-04 -0.1527E-05
    -25.644 -0.1155E-03 -0.1367E-04
    -25.539 -0.4332E-03 -0.5923E-04
    -25.434 -0.1576E-03 -0.7581E-04
    -25.329  0.3370E-02  0.2787E-03
    -25.223  0.9059E-02  0.1231E-02
    -25.118  0.9193E-02  0.2198E-02
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    -24.908 -0.1662E-03  0.2555E-02
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    -24.698 -0.7123E-03  0.2400E-02
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    -24.487  0.6362E-02  0.3176E-02
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    -24.277  0.1927E-01  0.6582E-02
    -24.172  0.2045E-01  0.8732E-02
    -24.066  0.1167E-01  0.9960E-02
    -23.961  0.1931E-02  0.1016E-01
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    -23.015 -0.6832E-14  0.1000E-01
    -22.910 -0.2111E-16  0.1000E-01
    -22.804  0.0000E+00  0.1000E-01
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    -13.864 -0.3549E-19  0.2000E-01
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    -13.654 -0.7447E-14  0.2000E-01
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    -13.023 -0.7178E-04  0.1999E-01
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    -12.813 -0.4192E-03  0.1991E-01
    -12.707  0.2066E-02  0.2013E-01
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    -12.497  0.9954E-02  0.2200E-01
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