# general rule for shifted vs truncated
shifted
# general rule tailcorrections
no
# number of defined interactions
126
# type,        interaction,  epsilon [K],  sigma [A] IMPORTANT: define shortest matches first, so that more specific ones overwrites these
C_             lennard-jones    52.83806  3.43085      // UFF A.K. Rappé et al., J. Am. Chem. Soc. 1992, 114, 10024-10035. 
O_             lennard-jones    30.19317  3.11815      //
H_             lennard-jones    22.14166  2.57113      //
N_             lennard-jones    34.72215  3.26069      //
F_             lennard-jones    25.16098  2.99698      //
Na_            lennard-jones    15.09659  2.65755      //
Mg_            lennard-jones    55.85737  2.69141      //
Al_            lennard-jones   254.12588  4.00815      //
S_             lennard-jones   137.88216  3.59478      //
Si_            lennard-jones   202.29427  3.82641      //
P_             lennard-jones   153.48197  3.69456      //
Cl_            lennard-jones   114.23084  3.51638      //
K_             lennard-jones    17.61269  3.39611      //
Ca_            lennard-jones   119.76626  3.02816      //
Sc_            lennard-jones     9.56117  2.93551      //
Ti_            lennard-jones     8.55473  2.82860      //
V_             lennard-jones     8.05151  2.80099      //
Cr_            lennard-jones     7.54829  2.93187      //
Mn_            lennard-jones     6.54185  2.63795      //
Fe_            lennard-jones     6.54185  2.59430      //
Co_            lennard-jones     7.04507  2.55866      //
Ni_            lennard-jones     7.54829  2.52481      //
Cu_            lennard-jones     2.51610  3.11369      //
Zn_            lennard-jones    62.39923  2.46155      //
Zr_            lennard-jones    34.72215  2.78317      //
Mo_            lennard-jones    29.68995  2.71902      //
B_             lennard-jones    90.57952  3.63754      //
Be_            lennard-jones    42.77366  2.44552      //
Ga_            lennard-jones   208.83612  3.90481      //
Ge_            lennard-jones   190.72022  3.81305      //
As_            lennard-jones   155.49485  3.76850      //
Se_            lennard-jones   146.43690  3.74623      //
Br_            lennard-jones   126.30811  3.73197      //
Rb_            lennard-jones    20.12878  3.66516      //
Sr_            lennard-jones   118.25660  3.24376      //
Y_             lennard-jones    36.23181  2.98006      //
Nb_            lennard-jones    29.68995  2.81969      //
Tc_            lennard-jones    24.15454  2.67091      //
Ru_            lennard-jones    28.18030  2.63973      //
Rh_            lennard-jones    26.67064  2.60944      //
Pd_            lennard-jones    24.15454  2.58272      //
Ag_            lennard-jones    18.11590  2.80455      // 
Cd_            lennard-jones   114.73410  2.53728      // 
In_            lennard-jones   301.42852  3.97608      // 
Sn_            lennard-jones   285.32550  3.91283      // 
Sb_            lennard-jones   225.94660  3.93777      // 
Te_            lennard-jones   200.28140  3.98232      // 
Cs_            lennard-jones    22.64488  4.02419      // 
Ba_            lennard-jones   183.17192  3.29900      // 
La_            lennard-jones     8.55473  3.13775      // 
Ce_            lennard-jones     6.54185  3.16804      // 
Pr_            lennard-jones     5.03220  3.21258      // 
Nd_            lennard-jones     5.03220  3.18496      // 
Pm_            lennard-jones     4.52898  3.16002      // 
Sm_            lennard-jones     4.02576  3.13596      // 
Eu_            lennard-jones     4.02576  3.11191      // 
Gd_            lennard-jones     4.52898  3.00055      // 
Tb_            lennard-jones     3.52254  3.07449      // 
Dy_            lennard-jones     3.52254  3.05400      // 
Ho_            lennard-jones     3.52254  3.03707      // 
Er_            lennard-jones     3.52254  3.02104      // 
Tm_            lennard-jones     3.01932  3.00589      // 
Yb_            lennard-jones   114.73406  2.98897      // 
Lu_            lennard-jones    20.63200  3.24287      // 
Hf_            lennard-jones    36.23181  2.79831      // 
Ta_            lennard-jones    40.76079  2.82415      // 
W_             lennard-jones    33.71571  2.73417      // 
Re_            lennard-jones    33.21249  2.63171      // 
Os_            lennard-jones    18.61912  2.77960      // 
Ir_            lennard-jones    36.73503  2.53015      // 
Pt_            lennard-jones    40.25757  2.45354      // 
Au_            lennard-jones    19.62556  2.93373      // 
Hg_            lennard-jones   193.73954  2.40988      // 
Tl_            lennard-jones   342.18931  3.87274      // 
Pb_            lennard-jones   333.63458  3.82819      // 
Bi_            lennard-jones   260.66774  3.89323      // 
Po_            lennard-jones   163.54636  4.19524      // 
At_            lennard-jones   142.91436  4.23177      // 
Rn_            lennard-jones   124.79845  4.24513      // 
Ra_            lennard-jones   203.30071  3.27583      // 
Ac_            lennard-jones    16.60625  3.09855      // 
Th_            lennard-jones    13.08371  3.02549      // 
Pa_            lennard-jones    11.07083  3.05044      // 
U_             lennard-jones    11.07083  3.02460      // 
Np_            lennard-jones     9.56117  3.05044      // 
Pu_            lennard-jones     8.05151  3.05044      // 
Am_            lennard-jones     7.04507  3.01213      // 
Cm_            lennard-jones     6.54185  2.96313      // 
Bk_            lennard-jones     6.54185  2.97471      // 
Cf_            lennard-jones     6.54185  2.95155      // 
Es_            lennard-jones     6.03863  2.93907      // 
Fm_            lennard-jones     6.03863  2.92749      // 
Md_            lennard-jones     5.53542  2.91680      // 
No_            lennard-jones     5.53542  2.89364      // 
He             lennard-jones    10.9000   2.64000      // J.O. Hirschfelder et al., Molecular Theory of Gases and Liquids, Wiley, New York, 1954, p. 1114.
O_co2          lennard-jones    79.0000   3.05000      // J. Potoff, and J.I. Siepmann, AIChE J. 47, 1676-1682 (2001).
C_co2          lennard-jones    27.0000   2.80000      // idem
N_n2           lennard-jones    38.2980   3.30600      // A. Martin-Calvo et al. , Phys. Chem. Chem. Phys. 2011, 13, 11165-11174.
N_com          none                                    // idem
O_o2           lennard-jones    53.0230   3.04500      // idem
O_com          none                                    // idem
Ar             lennard-jones   124.0700   3.38000      // idem
CH4            lennard-jones   148.0000   3.73000      // M.G. Martin, and J.I. Siepmann, J. Phys. Chem. B 102, 2569-2577 (1998)
H_h2           none                                    // Paula García-Holley et al., ACS Energy Lett. 2018, 3, 3, 748–754
H_com          feynman-hibbs-lennard-jones    36.7000   2.95800    1.008  //
C_co           lennard-jones    16.1410   3.63600      // A. Martin-Calvo et al. , J. Phys. Chem. C. 2012, 116, 6655.
CO_com         none                                    // idem
O_co           lennard-jones    98.0140   2.97900      // idem
Ow_T5ew        lennard-jones    89.6330   3.09700      // S.W. Rick, J. Chem. Phys. 2004, 120 (13), 6085-6093.
Lw_T5ew        none                                    // idem
Hw_T5ew        none                                    // idem
Ow_T4ew        lennard-jones    81.89897   3.16435     // Hans W. Horn, W. C. Swope, J. Chem. Phys.(2004)
M_T4ew         none                                    // idem
Hw_T4ew        none                                    // idem
Ow_T4          lennard-jones    77.99902   3.1536      // Jorgensen, et al. J. Chem. Phys, (1983).
M_T4           none                                    // idem
Hw_T4          none                                    // idem
Ow_T5          lennard-jones    80.57      3.120       // Mahoney, M. W., & Jorgensen, W. L., J. Chem. Phys (2000).
Lw_T5          none                                    // idem
Hw_T5          none                                    // idem
S_so2          lennard-jones    73.8       3.39        // J. Phys. Chem. B 2011, 115, 17, 4949–4954
O_so2          lennard-jones    79.0       3.05        // J. Phys. Chem. B 2011, 115, 17, 4949–4954 
Ow_spce        lennard-jones    78.15      3.166       // J. Phys. Chem. A 2001, 105, 9954-9960
Hw_spce        none
N_nf3          lennard-jones    34.722    3.260
F_nf3          lennard-jones    25.158    3.118
# general mixing rule for Lennard-Jones
Lorentz-Berthelot
