LAMMPS data file methanol in vacuum

       6 atoms
       5 bonds
       7 angles
       3 dihedrals
       4 atom types
       3 bond types
       3 angle types
       1 dihedral types

 -20.0  20.0  xlo  xhi
 -20.0  20.0  ylo  yhi
 -20.0  20.0  zlo  zhi

 Masses

       1     12.011  # C
       2      1.008  # H
       3     15.999  # O
       4      1.008  # H

 Bond Coeffs

       1    340.000      1.090
       2    320.000      1.410
       3    553.000      0.945

 Angle Coeffs

       1     33.000    107.800
       2     35.000    109.500
       3     55.000    108.500

 Dihedral Coeffs

       1      0.000      0.000      0.352      0.000

 Atoms 

     1      1      1     0.1327     0.000000     0.000000     0.000000
     2      1      2     0.0245     0.630000     0.630000     0.630000
     3      1      2     0.0245    -0.630000    -0.630000     0.630000
     4      1      2     0.0245     0.630000    -0.630000    -0.630000
     5      1      3    -0.6067    -0.866030     0.866030    -0.866030
     6      1      4     0.4005    -0.288710     1.443400    -1.443400

 Bonds

       1        1       1        2
       2        1       1        3
       3        1       1        4
       4        2       1        5
       5        3       5        6

 Angles

       1        1       2        1        3
       2        1       2        1        4
       3        1       3        1        4
       4        2       2        1        5
       5        2       3        1        5
       6        2       4        1        5
       7        3       1        5        6

 Dihedrals

       1        1       2        1        5        6
       2        1       3        1        5        6
       3        1       4        1        5        6