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impact_para.params
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impact_para.params
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# LAMMPS parameters created by EMC v9.4.4, build Jul 2 2019 14:55:34
# Nuwan Dewapriya (2021/05/19)
# Potentials
pair_style hybrid eam/alloy lj/class2/coul/long 12
bond_style class2
angle_style class2
dihedral_style class2
improper_style class2
pair_modify mix sixthpower tail yes
special_bonds lj/coul 0 0 1
# Pair Coeffs
pair_coeff * * eam/alloy Al_EA_real.eam.alloy NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL Al Al NULL
pair_coeff 1 1 lj/class2/coul/long 0.12000 3.81000 # c_1,c_1
pair_coeff 2 2 lj/class2/coul/long 0.12000 3.30800 # c_0,c_0
pair_coeff 3 3 lj/class2/coul/long 0.26700 3.30000 # o_1,o_1
pair_coeff 4 4 lj/class2/coul/long 0.06400 4.01000 # cp,cp
pair_coeff 5 5 lj/class2/coul/long 0.02000 2.99500 # hc,hc
pair_coeff 6 6 lj/class2/coul/long 0.10600 3.60000 # n_2,n_2
pair_coeff 7 7 lj/class2/coul/long 0.01300 1.65000 # hn2,hn2
pair_coeff 8 8 lj/class2/coul/long 0.12000 3.81000 # c_2,c_2
pair_coeff 9 9 lj/class2/coul/long 0.05400 4.01000 # c,c
pair_coeff 10 10 lj/class2/coul/long 0.24000 3.42000 # o_2,o_2
pair_coeff 11 11 lj/class2/coul/long 0.24000 3.53500 # oc,oc
pair_coeff 1 12 lj/class2/coul/long 0.485811351 3.512105707
pair_coeff 2 12 lj/class2/coul/long 0.595244901 3.163611681
pair_coeff 3 12 lj/class2/coul/long 0.889854418 3.158622163
pair_coeff 4 12 lj/class2/coul/long 0.319957899 3.665694839
pair_coeff 5 12 lj/class2/coul/long 0.255296375 2.98557557
pair_coeff 6 12 lj/class2/coul/long 0.503491101 3.35876307
pair_coeff 7 12 lj/class2/coul/long 0.068191175 2.663997536
pair_coeff 8 12 lj/class2/coul/long 0.485811351 3.512105707
pair_coeff 9 12 lj/class2/coul/long 0.293900097 3.665694839
pair_coeff 10 12 lj/class2/coul/long 0.8127743 3.235590807
pair_coeff 11 12 lj/class2/coul/long 0.77841707 3.313305775
pair_coeff 1 13 lj/class2/coul/long 0.485811351 3.512105707
pair_coeff 2 13 lj/class2/coul/long 0.595244901 3.163611681
pair_coeff 3 13 lj/class2/coul/long 0.889854418 3.158622163
pair_coeff 4 13 lj/class2/coul/long 0.319957899 3.665694839
pair_coeff 5 13 lj/class2/coul/long 0.255296375 2.98557557
pair_coeff 6 13 lj/class2/coul/long 0.503491101 3.35876307
pair_coeff 7 13 lj/class2/coul/long 0.068191175 2.663997536
pair_coeff 8 13 lj/class2/coul/long 0.485811351 3.512105707
pair_coeff 9 13 lj/class2/coul/long 0.293900097 3.665694839
pair_coeff 10 13 lj/class2/coul/long 0.8127743 3.235590807
pair_coeff 11 13 lj/class2/coul/long 0.77841707 3.313305775
pair_coeff 1 14 lj/class2/coul/long 0.568741469 3.518112752
pair_coeff 2 14 lj/class2/coul/long 0.690711632 3.173703647
pair_coeff 3 14 lj/class2/coul/long 1.032385351 3.168793324
pair_coeff 4 14 lj/class2/coul/long 0.375443544 3.670549251
pair_coeff 5 14 lj/class2/coul/long 0.293929357 2.999013338
pair_coeff 6 14 lj/class2/coul/long 0.587598051 3.366262609
pair_coeff 7 14 lj/class2/coul/long 0.076514043 2.687499369
pair_coeff 8 14 lj/class2/coul/long 0.568741469 3.518112752
pair_coeff 9 14 lj/class2/coul/long 0.344866916 3.670549251
pair_coeff 10 14 lj/class2/coul/long 0.945388421 3.244618114
pair_coeff 11 14 lj/class2/coul/long 0.907422103 3.321330283
pair_coeff 12 14 lj/class2/coul/long 3.751381881 2.989652392
pair_coeff 13 14 lj/class2/coul/long 3.751381881 2.989652392
pair_coeff 14 14 lj/class2/coul/long 4.32 3.003
# Bond Coeffs
bond_coeff 1 1.20200 851.14030 -1918.48820 2160.76590 # c_1,o_1
bond_coeff 2 1.48900 339.35740 -655.72360 670.23620 # c_1,cp
bond_coeff 3 1.36830 367.14810 -794.79080 1055.23190 # c_1,o_2
bond_coeff 4 1.21600 823.79480 -1878.79400 2303.53110 # c_0,o_1
bond_coeff 5 1.48900 339.35740 -655.72360 670.23620 # c_0,cp
bond_coeff 6 1.51400 312.37190 -465.82900 473.83000 # c_0,c
bond_coeff 7 1.20630 854.29030 -1922.34070 2101.68240 # o_1,c_2
bond_coeff 8 1.41700 470.83610 -627.61790 1327.63450 # cp,cp
bond_coeff 9 1.09820 372.82510 -803.45260 894.31730 # cp,hc
bond_coeff 10 1.43900 344.04520 -652.12080 1022.22420 # cp,n_2
bond_coeff 11 1.50100 321.90210 -521.82080 572.16280 # cp,c
bond_coeff 12 1.10100 345.00000 -691.89000 844.60000 # hc,c
bond_coeff 13 0.99590 495.82940 -1092.72390 1441.12900 # n_2,hn2
bond_coeff 14 1.35800 440.67830 -828.37980 1423.24180 # n_2,c_2
bond_coeff 15 1.53000 299.67000 -501.77000 679.81000 # c,c
bond_coeff 16 1.43000 326.72730 -608.53060 689.03330 # c,o_2
bond_coeff 17 1.42000 400.39540 -835.19510 1313.01420 # c,oc
# Angle Coeffs
angle_coeff 1 116.06400 71.25980 -15.82730 2.05060 # c_1,cp,cp
angle_coeff 2 113.28800 61.28680 -28.97860 7.99290 # c_1,o_2,c
angle_coeff 3 108.40000 43.95940 -8.39240 -9.33790 # c_0,cp,cp
angle_coeff 4 107.85940 38.08330 -17.50740 0.00000 # c_0,c,hc
angle_coeff 5 125.53200 72.31670 -16.06500 2.08180 # o_1,c_1,cp
angle_coeff 6 120.79700 95.34460 -32.28690 6.37780 # o_1,c_1,o_2
angle_coeff 7 119.30000 65.10160 -17.97660 0.00000 # o_1,c_0,cp
angle_coeff 8 119.30000 65.10160 -17.97660 0.00000 # o_1,c_0,c
angle_coeff 9 125.53200 101.87650 -41.80940 7.72360 # o_1,c_2,n_2
angle_coeff 10 108.44000 84.83770 -19.96400 2.74050 # cp,c_1,o_2
angle_coeff 11 110.58840 34.62140 -7.09390 -7.40320 # cp,c_0,c
angle_coeff 12 118.90000 61.02260 -34.99310 0.00000 # cp,cp,cp
angle_coeff 13 117.94000 35.15580 -12.46820 0.00000 # cp,cp,hc
angle_coeff 14 120.76400 73.27380 -27.40330 13.39200 # cp,cp,n_2
angle_coeff 15 120.05000 44.71480 -22.73520 0.00000 # cp,cp,c
angle_coeff 16 116.32300 18.31230 -7.83250 5.32900 # cp,n_2,hn2
angle_coeff 17 120.07000 47.11310 -32.55920 13.12570 # cp,n_2,c_2
angle_coeff 18 111.00000 44.32340 -9.44540 0.00000 # cp,c,cp
angle_coeff 19 111.00000 44.32340 -9.44540 0.00000 # cp,c,hc
angle_coeff 20 107.66000 39.64100 -12.92100 -2.43180 # hc,c,hc
angle_coeff 21 110.77000 41.45300 -10.60400 5.12900 # hc,c,c
angle_coeff 22 107.68800 65.48010 -10.34980 5.88660 # hc,c,o_2
angle_coeff 23 108.72800 58.54460 -10.80880 -12.40060 # hc,c,oc
angle_coeff 24 114.52920 104.08570 -36.73150 24.26160 # n_2,c_2,n_2
angle_coeff 25 122.94800 40.48200 -16.20280 8.32800 # hn2,n_2,c_2
angle_coeff 26 112.67000 39.51600 -7.44300 -9.55830 # c,c,c
angle_coeff 27 107.41000 63.39070 -13.45130 1.66500 # c,c,o_2
angle_coeff 28 111.27000 54.53810 -8.36420 -13.08380 # c,c,oc
angle_coeff 29 104.50000 35.74540 -10.00670 -6.27290 # c,oc,c
# BondBond Coeffs
angle_coeff 1 bb 37.87490 1.48900 1.41700 # c_1,cp,cp
angle_coeff 2 bb 45.45030 1.36830 1.43000 # c_1,o_2,c
angle_coeff 3 bb 0.00000 1.48900 1.41700 # c_0,cp,cp
angle_coeff 4 bb 2.25220 1.51400 1.10100 # c_0,c,hc
angle_coeff 5 bb 116.94450 1.20200 1.48900 # o_1,c_1,cp
angle_coeff 6 bb 121.48800 1.20200 1.36830 # o_1,c_1,o_2
angle_coeff 7 bb 0.00000 1.21600 1.48900 # o_1,c_0,cp
angle_coeff 8 bb 77.52010 1.21600 1.51400 # o_1,c_0,c
angle_coeff 9 bb 115.46450 1.20630 1.35800 # o_1,c_2,n_2
angle_coeff 10 bb 69.94450 1.48900 1.36830 # cp,c_1,o_2
angle_coeff 11 bb 0.00000 1.48900 1.51400 # cp,c_0,c
angle_coeff 12 bb 68.28560 1.41700 1.41700 # cp,cp,cp
angle_coeff 13 bb 1.07950 1.41700 1.09820 # cp,cp,hc
angle_coeff 14 bb 37.87490 1.41700 1.43900 # cp,cp,n_2
angle_coeff 15 bb 12.06760 1.41700 1.50100 # cp,cp,c
angle_coeff 16 bb 8.29300 1.43900 0.99590 # cp,n_2,hn2
angle_coeff 17 bb 41.42330 1.43900 1.35800 # cp,n_2,c_2
angle_coeff 18 bb 0.00000 1.50100 1.50100 # cp,c,cp
angle_coeff 19 bb 2.91680 1.50100 1.10100 # cp,c,hc
angle_coeff 20 bb 5.33160 1.10100 1.10100 # hc,c,hc
angle_coeff 21 bb 3.38720 1.10100 1.53000 # hc,c,c
angle_coeff 22 bb 5.64540 1.10100 1.43000 # hc,c,o_2
angle_coeff 23 bb 23.19790 1.10100 1.42000 # hc,c,oc
angle_coeff 24 bb 84.52630 1.35800 1.35800 # n_2,c_2,n_2
angle_coeff 25 bb 8.62530 0.99590 1.35800 # hn2,n_2,c_2
angle_coeff 26 bb 0.00000 1.53000 1.53000 # c,c,c
angle_coeff 27 bb 23.26470 1.53000 1.43000 # c,c,o_2
angle_coeff 28 bb 11.43180 1.53000 1.42000 # c,c,oc
angle_coeff 29 bb -7.11310 1.42000 1.42000 # c,oc,c
# BondAngle Coeffs
angle_coeff 1 ba 23.69770 45.88650 1.48900 1.41700 # c_1,cp,cp
angle_coeff 2 ba 46.46080 41.91160 1.36830 1.43000 # c_1,o_2,c
angle_coeff 3 ba 0.00000 0.00000 1.48900 1.41700 # c_0,cp,cp
angle_coeff 4 ba 0.00000 0.00000 1.51400 1.10100 # c_0,c,hc
angle_coeff 5 ba 76.10930 72.87580 1.20200 1.48900 # o_1,c_1,cp
angle_coeff 6 ba 76.26140 71.87610 1.20200 1.36830 # o_1,c_1,o_2
angle_coeff 7 ba 0.00000 0.00000 1.21600 1.48900 # o_1,c_0,cp
angle_coeff 8 ba 46.66130 31.84550 1.21600 1.51400 # o_1,c_0,c
angle_coeff 9 ba 46.10930 32.87580 1.20630 1.35800 # o_1,c_2,n_2
angle_coeff 10 ba 72.87580 76.10930 1.48900 1.36830 # cp,c_1,o_2
angle_coeff 11 ba 0.00000 0.00000 1.48900 1.51400 # cp,c_0,c
angle_coeff 12 ba 28.87080 28.87080 1.41700 1.41700 # cp,cp,cp
angle_coeff 13 ba 20.00330 24.21830 1.41700 1.09820 # cp,cp,hc
angle_coeff 14 ba 35.88650 53.69770 1.41700 1.43900 # cp,cp,n_2
angle_coeff 15 ba 31.07710 47.05790 1.41700 1.50100 # cp,cp,c
angle_coeff 16 ba 10.45680 12.82170 1.43900 0.99590 # cp,n_2,hn2
angle_coeff 17 ba 24.37050 34.77910 1.43900 1.35800 # cp,n_2,c_2
angle_coeff 18 ba 0.00000 0.00000 1.50100 1.50100 # cp,c,cp
angle_coeff 19 ba 26.46080 11.77170 1.50100 1.10100 # cp,c,hc
angle_coeff 20 ba 18.10300 18.10300 1.10100 1.10100 # hc,c,hc
angle_coeff 21 ba 11.42100 20.75400 1.10100 1.53000 # hc,c,c
angle_coeff 22 ba 8.68640 57.49750 1.10100 1.43000 # hc,c,o_2
angle_coeff 23 ba 4.61890 55.32700 1.10100 1.42000 # hc,c,oc
angle_coeff 24 ba 49.08750 49.08750 1.35800 1.35800 # n_2,c_2,n_2
angle_coeff 25 ba 15.07780 34.83120 0.99590 1.35800 # hn2,n_2,c_2
angle_coeff 26 ba 8.01600 8.01600 1.53000 1.53000 # c,c,c
angle_coeff 27 ba 23.39200 47.94870 1.53000 1.43000 # c,c,o_2
angle_coeff 28 ba 2.68680 20.40330 1.53000 1.42000 # c,c,oc
angle_coeff 29 ba -2.81120 -2.81120 1.42000 1.42000 # c,oc,c
# Dihedral Coeffs
dihedral_coeff 1 0.00000 0.00000 4.62820 0.00000 0.00000 0.00000 # c_1,cp,cp,cp
dihedral_coeff 2 0.00000 0.00000 2.16700 0.00000 0.00000 0.00000 # c_1,cp,cp,hc
dihedral_coeff 3 0.00000 0.00000 0.00000 0.00000 -0.19320 0.00000 # c_1,o_2,c,hc
dihedral_coeff 4 0.00000 0.00000 0.00000 0.00000 -0.19320 0.00000 # c_1,o_2,c,c
dihedral_coeff 5 0.00000 0.00000 4.62820 0.00000 0.00000 0.00000 # c_0,cp,cp,cp
dihedral_coeff 6 0.00000 0.00000 2.16700 0.00000 0.00000 0.00000 # c_0,cp,cp,hc
dihedral_coeff 7 0.00000 0.00000 0.90630 0.00000 0.00000 0.00000 # o_1,c_1,cp,cp
dihedral_coeff 8 0.00000 0.00000 2.20890 0.00000 0.00000 0.00000 # o_1,c_1,o_2,c
dihedral_coeff 9 0.00000 0.00000 0.90630 0.00000 0.00000 0.00000 # o_1,c_0,cp,cp
dihedral_coeff 10 -0.99750 0.00000 0.90600 0.00000 -0.01950 0.00000 # o_1,c_0,c,hc
dihedral_coeff 11 0.00000 0.00000 2.05210 0.00000 0.00000 0.00000 # o_1,c_2,n_2,cp
dihedral_coeff 12 0.00000 0.00000 2.05210 0.00000 0.00000 0.00000 # o_1,c_2,n_2,hn2
dihedral_coeff 13 -1.10770 0.00000 2.00820 0.00000 0.00000 0.00000 # cp,c_1,o_2,c
dihedral_coeff 14 -0.47680 0.00000 0.60510 0.00000 -0.12050 0.00000 # cp,c_0,c,hc
dihedral_coeff 15 0.00000 0.00000 0.90630 0.00000 0.00000 0.00000 # cp,cp,c_1,o_2
dihedral_coeff 16 0.00000 0.00000 2.50000 0.00000 0.00000 0.00000 # cp,cp,c_0,c
dihedral_coeff 17 8.36670 0.00000 1.19320 0.00000 0.00000 0.00000 # cp,cp,cp,cp
dihedral_coeff 18 0.00000 0.00000 3.96610 0.00000 0.00000 0.00000 # cp,cp,cp,hc
dihedral_coeff 19 0.00000 0.00000 3.40400 0.00000 0.00000 0.00000 # cp,cp,cp,n_2
dihedral_coeff 20 0.00000 0.00000 4.40720 0.00000 0.00000 0.00000 # cp,cp,cp,c
dihedral_coeff 21 0.00000 0.00000 0.61070 0.00000 0.00000 0.00000 # cp,cp,n_2,hn2
dihedral_coeff 22 0.00000 0.00000 0.81070 0.00000 0.00000 0.00000 # cp,cp,n_2,c_2
dihedral_coeff 23 -0.28020 0.00000 -0.06780 0.00000 -0.01220 0.00000 # cp,cp,c,cp
dihedral_coeff 24 -0.28010 0.00000 -0.06780 0.00000 -0.01220 0.00000 # cp,cp,c,hc
dihedral_coeff 25 -1.06320 0.00000 1.56320 0.00000 0.00000 0.00000 # cp,n_2,c_2,n_2
dihedral_coeff 26 0.00000 0.00000 1.87690 0.00000 0.00000 0.00000 # hc,cp,cp,hc
dihedral_coeff 27 0.00000 0.00000 3.40400 0.00000 0.00000 0.00000 # hc,cp,cp,n_2
dihedral_coeff 28 0.00000 0.00000 1.55900 0.00000 0.00000 0.00000 # hc,cp,cp,c
dihedral_coeff 29 -0.14320 0.00000 0.06170 0.00000 -0.10830 0.00000 # hc,c,c,hc
dihedral_coeff 30 0.00000 0.00000 0.03160 0.00000 -0.16810 0.00000 # hc,c,c,c
dihedral_coeff 31 0.00000 0.00000 0.00000 0.00000 -0.25000 0.00000 # hc,c,c,o_2
dihedral_coeff 32 -0.14350 0.00000 0.25300 0.00000 -0.09050 0.00000 # hc,c,c,oc
dihedral_coeff 33 0.53020 0.00000 0.00000 0.00000 -0.39660 0.00000 # hc,c,oc,c
dihedral_coeff 34 -1.06320 0.00000 1.56320 0.00000 0.00000 0.00000 # n_2,c_2,n_2,hn2
dihedral_coeff 35 0.00000 0.00000 0.05140 0.00000 -0.14300 0.00000 # c,c,c,c
dihedral_coeff 36 0.00000 0.00000 0.00000 0.00000 -0.25000 0.00000 # c,c,c,o_2
dihedral_coeff 37 0.71370 0.00000 0.26600 0.00000 -0.25450 0.00000 # c,c,c,oc
dihedral_coeff 38 -0.52030 0.00000 -0.30280 0.00000 -0.34500 0.00000 # c,c,oc,c
# MiddleBondTorsion Coeffs
dihedral_coeff 1 mbt 0.00000 3.87620 0.00000 1.41700 # c_1,cp,cp,cp
dihedral_coeff 2 mbt 0.00000 0.00000 0.00000 1.41700 # c_1,cp,cp,hc
dihedral_coeff 3 mbt 0.00000 0.00000 0.00000 1.43000 # c_1,o_2,c,hc
dihedral_coeff 4 mbt -5.43500 0.00000 0.00000 1.43000 # c_1,o_2,c,c
dihedral_coeff 5 mbt 0.00000 0.00000 0.00000 1.41700 # c_0,cp,cp,cp
dihedral_coeff 6 mbt 0.00000 0.00000 0.00000 1.41700 # c_0,cp,cp,hc
dihedral_coeff 7 mbt 0.00000 2.40020 0.00000 1.48900 # o_1,c_1,cp,cp
dihedral_coeff 8 mbt 4.26000 0.00000 0.00000 1.36830 # o_1,c_1,o_2,c
dihedral_coeff 9 mbt 0.00000 0.00000 0.00000 1.48900 # o_1,c_0,cp,cp
dihedral_coeff 10 mbt -17.99650 9.98610 1.09890 1.51400 # o_1,c_0,c,hc
dihedral_coeff 11 mbt 0.00000 4.47000 0.00000 1.35800 # o_1,c_2,n_2,cp
dihedral_coeff 12 mbt 0.00000 4.47000 0.00000 1.35800 # o_1,c_2,n_2,hn2
dihedral_coeff 13 mbt 0.00000 0.00000 0.00000 1.36830 # cp,c_1,o_2,c
dihedral_coeff 14 mbt 0.00000 0.00000 0.00000 1.51400 # cp,c_0,c,hc
dihedral_coeff 15 mbt 0.00000 2.40020 0.00000 1.48900 # cp,cp,c_1,o_2
dihedral_coeff 16 mbt 0.00000 0.00000 0.00000 1.48900 # cp,cp,c_0,c
dihedral_coeff 17 mbt 27.59890 -2.31200 0.00000 1.41700 # cp,cp,cp,cp
dihedral_coeff 18 mbt 0.00000 -1.15210 0.00000 1.41700 # cp,cp,cp,hc
dihedral_coeff 19 mbt 0.00000 5.20120 0.00000 1.41700 # cp,cp,cp,n_2
dihedral_coeff 20 mbt 0.00000 9.17920 0.00000 1.41700 # cp,cp,cp,c
dihedral_coeff 21 mbt 0.00000 2.47300 0.00000 1.43900 # cp,cp,n_2,hn2
dihedral_coeff 22 mbt 0.00000 4.90270 0.00000 1.43900 # cp,cp,n_2,c_2
dihedral_coeff 23 mbt 0.00000 0.00000 0.00000 1.50100 # cp,cp,c,cp
dihedral_coeff 24 mbt -5.56790 1.40830 0.30100 1.50100 # cp,cp,c,hc
dihedral_coeff 25 mbt 0.00000 6.32860 0.00000 1.35800 # cp,n_2,c_2,n_2
dihedral_coeff 26 mbt 0.00000 4.82280 0.00000 1.41700 # hc,cp,cp,hc
dihedral_coeff 27 mbt 0.00000 5.20120 0.00000 1.41700 # hc,cp,cp,n_2
dihedral_coeff 28 mbt 0.00000 3.94210 0.00000 1.41700 # hc,cp,cp,c
dihedral_coeff 29 mbt -14.26100 -0.53220 -0.48640 1.53000 # hc,c,c,hc
dihedral_coeff 30 mbt -14.87900 -3.65810 -0.31380 1.53000 # hc,c,c,c
dihedral_coeff 31 mbt 0.00000 0.00000 0.00000 1.53000 # hc,c,c,o_2
dihedral_coeff 32 mbt -16.79750 -1.22960 -0.27500 1.53000 # hc,c,c,oc
dihedral_coeff 33 mbt -6.80070 -4.65460 -1.41010 1.42000 # hc,c,oc,c
dihedral_coeff 34 mbt 0.00000 0.00000 0.00000 1.35800 # n_2,c_2,n_2,hn2
dihedral_coeff 35 mbt -17.78700 -7.18770 0.00000 1.53000 # c,c,c,c
dihedral_coeff 36 mbt 0.00000 0.00000 0.00000 1.53000 # c,c,c,o_2
dihedral_coeff 37 mbt -21.88420 -7.67640 -0.68680 1.53000 # c,c,c,oc
dihedral_coeff 38 mbt -5.92880 -2.70070 -0.31750 1.42000 # c,c,oc,c
# EndBondTorsion Coeffs
dihedral_coeff 1 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.48900 1.41700 # c_1,cp,cp,cp
dihedral_coeff 2 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.48900 1.09820 # c_1,cp,cp,hc
dihedral_coeff 3 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.36830 1.10100 # c_1,o_2,c,hc
dihedral_coeff 4 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.36830 1.53000 # c_1,o_2,c,c
dihedral_coeff 5 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.48900 1.41700 # c_0,cp,cp,cp
dihedral_coeff 6 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.48900 1.09820 # c_0,cp,cp,hc
dihedral_coeff 7 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.20200 1.41700 # o_1,c_1,cp,cp
dihedral_coeff 8 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.20200 1.43000 # o_1,c_1,o_2,c
dihedral_coeff 9 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.21600 1.41700 # o_1,c_0,cp,cp
dihedral_coeff 10 ebt 0.05360 -0.27750 0.14630 2.90360 0.53070 0.14390 1.21600 1.10100 # o_1,c_0,c,hc
dihedral_coeff 11 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.20630 1.43900 # o_1,c_2,n_2,cp
dihedral_coeff 12 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.20630 0.99590 # o_1,c_2,n_2,hn2
dihedral_coeff 13 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.48900 1.43000 # cp,c_1,o_2,c
dihedral_coeff 14 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.48900 1.10100 # cp,c_0,c,hc
dihedral_coeff 15 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.41700 1.36830 # cp,cp,c_1,o_2
dihedral_coeff 16 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.41700 1.51400 # cp,cp,c_0,c
dihedral_coeff 17 ebt -0.11850 6.32040 0.00000 -0.11850 6.32040 0.00000 1.41700 1.41700 # cp,cp,cp,cp
dihedral_coeff 18 ebt 0.00000 -6.89580 0.00000 0.00000 -0.46690 0.00000 1.41700 1.09820 # cp,cp,cp,hc
dihedral_coeff 19 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.41700 1.43900 # cp,cp,cp,n_2
dihedral_coeff 20 ebt 0.00000 -0.69180 0.00000 0.00000 0.24210 0.00000 1.41700 1.50100 # cp,cp,cp,c
dihedral_coeff 21 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.41700 0.99590 # cp,cp,n_2,hn2
dihedral_coeff 22 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.41700 1.35800 # cp,cp,n_2,c_2
dihedral_coeff 23 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.41700 1.50100 # cp,cp,c,cp
dihedral_coeff 24 ebt -0.58350 1.12200 0.39780 1.39970 0.77560 0.00000 1.41700 1.10100 # cp,cp,c,hc
dihedral_coeff 25 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.43900 1.35800 # cp,n_2,c_2,n_2
dihedral_coeff 26 ebt 0.00000 -0.68900 0.00000 0.00000 -0.68900 0.00000 1.09820 1.09820 # hc,cp,cp,hc
dihedral_coeff 27 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.09820 1.43900 # hc,cp,cp,n_2
dihedral_coeff 28 ebt 0.00000 -0.48790 0.00000 0.00000 -1.79700 0.00000 1.09820 1.50100 # hc,cp,cp,c
dihedral_coeff 29 ebt 0.21300 0.31200 0.07770 0.21300 0.31200 0.07770 1.10100 1.10100 # hc,c,c,hc
dihedral_coeff 30 ebt 0.08140 0.05910 0.22190 0.24860 0.24220 -0.09250 1.10100 1.53000 # hc,c,c,c
dihedral_coeff 31 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.10100 1.43000 # hc,c,c,o_2
dihedral_coeff 32 ebt 0.96810 0.95510 0.04360 0.59030 0.66690 0.85840 1.10100 1.42000 # hc,c,c,oc
dihedral_coeff 33 ebt -0.60540 1.33390 0.96480 -0.16200 0.15640 -1.14080 1.10100 1.42000 # hc,c,oc,c
dihedral_coeff 34 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.35800 0.99590 # n_2,c_2,n_2,hn2
dihedral_coeff 35 ebt -0.07320 0.00000 0.00000 -0.07320 0.00000 0.00000 1.53000 1.53000 # c,c,c,c
dihedral_coeff 36 ebt 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.53000 1.43000 # c,c,c,o_2
dihedral_coeff 37 ebt -0.31900 0.44110 -0.71740 1.15380 0.84090 -0.91380 1.53000 1.42000 # c,c,c,oc
dihedral_coeff 38 ebt -0.24560 1.05170 -0.77950 0.47410 1.26350 0.55760 1.53000 1.42000 # c,c,oc,c
# AngleTorsion Coeffs
dihedral_coeff 1 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 116.06400 118.90000 # c_1,cp,cp,cp
dihedral_coeff 2 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 116.06400 117.94000 # c_1,cp,cp,hc
dihedral_coeff 3 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 113.28800 107.68800 # c_1,o_2,c,hc
dihedral_coeff 4 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 113.28800 107.41000 # c_1,o_2,c,c
dihedral_coeff 5 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 108.40000 118.90000 # c_0,cp,cp,cp
dihedral_coeff 6 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 108.40000 117.94000 # c_0,cp,cp,hc
dihedral_coeff 7 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 125.53200 116.06400 # o_1,c_1,cp,cp
dihedral_coeff 8 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 120.79700 113.28800 # o_1,c_1,o_2,c
dihedral_coeff 9 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 119.30000 108.40000 # o_1,c_0,cp,cp
dihedral_coeff 10 at -2.06670 0.96220 -0.29320 14.47280 0.33390 0.08000 119.30000 107.85940 # o_1,c_0,c,hc
dihedral_coeff 11 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 125.53200 120.07000 # o_1,c_2,n_2,cp
dihedral_coeff 12 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 125.53200 122.94800 # o_1,c_2,n_2,hn2
dihedral_coeff 13 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 108.44000 113.28800 # cp,c_1,o_2,c
dihedral_coeff 14 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 110.58840 107.85940 # cp,c_0,c,hc
dihedral_coeff 15 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 116.06400 108.44000 # cp,cp,c_1,o_2
dihedral_coeff 16 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 108.40000 110.58840 # cp,cp,c_0,c
dihedral_coeff 17 at 1.97670 1.02390 0.00000 1.97670 1.02390 0.00000 118.90000 118.90000 # cp,cp,cp,cp
dihedral_coeff 18 at 0.00000 2.50140 0.00000 0.00000 2.71470 0.00000 118.90000 117.94000 # cp,cp,cp,hc
dihedral_coeff 19 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 118.90000 120.76400 # cp,cp,cp,n_2
dihedral_coeff 20 at 0.00000 3.89870 0.00000 0.00000 -4.46830 0.00000 118.90000 120.05000 # cp,cp,cp,c
dihedral_coeff 21 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 120.76400 116.32300 # cp,cp,n_2,hn2
dihedral_coeff 22 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 120.76400 120.07000 # cp,cp,n_2,c_2
dihedral_coeff 23 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 120.05000 111.00000 # cp,cp,c,cp
dihedral_coeff 24 at 0.22510 0.65480 0.12370 4.62660 0.16320 0.04610 120.05000 111.00000 # cp,cp,c,hc
dihedral_coeff 25 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 120.07000 114.52920 # cp,n_2,c_2,n_2
dihedral_coeff 26 at 0.00000 2.45010 0.00000 0.00000 2.45010 0.00000 117.94000 117.94000 # hc,cp,cp,hc
dihedral_coeff 27 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 117.94000 120.76400 # hc,cp,cp,n_2
dihedral_coeff 28 at 0.00000 3.46010 0.00000 0.00000 -0.12420 0.00000 117.94000 120.05000 # hc,cp,cp,c
dihedral_coeff 29 at -0.80850 0.55690 -0.24660 -0.80850 0.55690 -0.24660 110.77000 110.77000 # hc,c,c,hc
dihedral_coeff 30 at 0.31130 0.45160 -0.19880 -0.24540 0.00000 -0.11360 110.77000 112.67000 # hc,c,c,c
dihedral_coeff 31 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 110.77000 107.41000 # hc,c,c,o_2
dihedral_coeff 32 at 2.36680 2.49200 -1.01220 -0.18920 0.49180 0.72730 110.77000 111.27000 # hc,c,c,oc
dihedral_coeff 33 at -1.82340 1.63930 0.51440 -0.77770 0.43400 -0.66530 108.72800 104.50000 # hc,c,oc,c
dihedral_coeff 34 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 114.52920 122.94800 # n_2,c_2,n_2,hn2
dihedral_coeff 35 at 0.38860 -0.31390 0.13890 0.38860 -0.31390 0.13890 112.67000 112.67000 # c,c,c,c
dihedral_coeff 36 at 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 112.67000 107.41000 # c,c,c,o_2
dihedral_coeff 37 at 0.56230 -0.30410 -0.40150 0.96720 -0.75660 -1.23310 112.67000 111.27000 # c,c,c,oc
dihedral_coeff 38 at -2.74660 1.48770 -0.89550 0.56760 0.94500 0.07030 111.27000 104.50000 # c,c,oc,c
# AngleAngleTorsion Coeffs
dihedral_coeff 1 aat 0.00000 116.06400 118.90000 # c_1,cp,cp,cp
dihedral_coeff 2 aat 0.00000 116.06400 117.94000 # c_1,cp,cp,hc
dihedral_coeff 3 aat 0.00000 113.28800 107.68800 # c_1,o_2,c,hc
dihedral_coeff 4 aat 0.00000 113.28800 107.41000 # c_1,o_2,c,c
dihedral_coeff 5 aat 0.00000 108.40000 118.90000 # c_0,cp,cp,cp
dihedral_coeff 6 aat 0.00000 108.40000 117.94000 # c_0,cp,cp,hc
dihedral_coeff 7 aat 0.00000 125.53200 116.06400 # o_1,c_1,cp,cp
dihedral_coeff 8 aat 0.00000 120.79700 113.28800 # o_1,c_1,o_2,c
dihedral_coeff 9 aat 0.00000 119.30000 108.40000 # o_1,c_0,cp,cp
dihedral_coeff 10 aat -23.19230 119.30000 107.85940 # o_1,c_0,c,hc
dihedral_coeff 11 aat 0.00000 125.53200 120.07000 # o_1,c_2,n_2,cp
dihedral_coeff 12 aat 0.00000 125.53200 122.94800 # o_1,c_2,n_2,hn2
dihedral_coeff 13 aat 0.00000 108.44000 113.28800 # cp,c_1,o_2,c
dihedral_coeff 14 aat 0.00000 110.58840 107.85940 # cp,c_0,c,hc
dihedral_coeff 15 aat 0.00000 116.06400 108.44000 # cp,cp,c_1,o_2
dihedral_coeff 16 aat 0.00000 108.40000 110.58840 # cp,cp,c_0,c
dihedral_coeff 17 aat 0.00000 118.90000 118.90000 # cp,cp,cp,cp
dihedral_coeff 18 aat -4.81410 118.90000 117.94000 # cp,cp,cp,hc
dihedral_coeff 19 aat 0.00000 118.90000 120.76400 # cp,cp,cp,n_2
dihedral_coeff 20 aat -14.40970 118.90000 120.05000 # cp,cp,cp,c
dihedral_coeff 21 aat 0.00000 120.76400 116.32300 # cp,cp,n_2,hn2
dihedral_coeff 22 aat 0.00000 120.76400 120.07000 # cp,cp,n_2,c_2
dihedral_coeff 23 aat 0.00000 120.05000 111.00000 # cp,cp,c,cp
dihedral_coeff 24 aat -5.88880 120.05000 111.00000 # cp,cp,c,hc
dihedral_coeff 25 aat 0.00000 120.07000 114.52920 # cp,n_2,c_2,n_2
dihedral_coeff 26 aat 0.35980 117.94000 117.94000 # hc,cp,cp,hc
dihedral_coeff 27 aat 0.00000 117.94000 120.76400 # hc,cp,cp,n_2
dihedral_coeff 28 aat 4.44440 117.94000 120.05000 # hc,cp,cp,c
dihedral_coeff 29 aat -12.56400 110.77000 110.77000 # hc,c,c,hc
dihedral_coeff 30 aat -16.16400 110.77000 112.67000 # hc,c,c,c
dihedral_coeff 31 aat 0.00000 110.77000 107.41000 # hc,c,c,o_2
dihedral_coeff 32 aat -20.20060 110.77000 111.27000 # hc,c,c,oc
dihedral_coeff 33 aat -16.44380 108.72800 104.50000 # hc,c,oc,c
dihedral_coeff 34 aat 0.00000 114.52920 122.94800 # n_2,c_2,n_2,hn2
dihedral_coeff 35 aat -22.04500 112.67000 112.67000 # c,c,c,c
dihedral_coeff 36 aat 0.00000 112.67000 107.41000 # c,c,c,o_2
dihedral_coeff 37 aat -29.04200 112.67000 111.27000 # c,c,c,oc
dihedral_coeff 38 aat -19.00590 111.27000 104.50000 # c,c,oc,c
# BondBond13 Coeffs
dihedral_coeff 1 bb13 0.00000 1.48900 1.41700 # c_1,cp,cp,cp
dihedral_coeff 2 bb13 0.00000 1.48900 1.09820 # c_1,cp,cp,hc
dihedral_coeff 3 bb13 0.00000 1.36830 1.10100 # c_1,o_2,c,hc
dihedral_coeff 4 bb13 0.00000 1.36830 1.53000 # c_1,o_2,c,c
dihedral_coeff 5 bb13 0.00000 1.48900 1.41700 # c_0,cp,cp,cp
dihedral_coeff 6 bb13 0.00000 1.48900 1.09820 # c_0,cp,cp,hc
dihedral_coeff 7 bb13 0.00000 1.20200 1.41700 # o_1,c_1,cp,cp
dihedral_coeff 8 bb13 0.00000 1.20200 1.43000 # o_1,c_1,o_2,c
dihedral_coeff 9 bb13 0.00000 1.21600 1.41700 # o_1,c_0,cp,cp
dihedral_coeff 10 bb13 0.00000 1.21600 1.10100 # o_1,c_0,c,hc
dihedral_coeff 11 bb13 0.00000 1.20630 1.43900 # o_1,c_2,n_2,cp
dihedral_coeff 12 bb13 0.00000 1.20630 0.99590 # o_1,c_2,n_2,hn2
dihedral_coeff 13 bb13 0.00000 1.48900 1.43000 # cp,c_1,o_2,c
dihedral_coeff 14 bb13 0.00000 1.48900 1.10100 # cp,c_0,c,hc
dihedral_coeff 15 bb13 0.00000 1.41700 1.36830 # cp,cp,c_1,o_2
dihedral_coeff 16 bb13 0.00000 1.41700 1.51400 # cp,cp,c_0,c
dihedral_coeff 17 bb13 53.00000 1.41700 1.41700 # cp,cp,cp,cp
dihedral_coeff 18 bb13 -6.27410 1.41700 1.09820 # cp,cp,cp,hc
dihedral_coeff 19 bb13 0.00000 1.41700 1.43900 # cp,cp,cp,n_2
dihedral_coeff 20 bb13 2.50850 1.41700 1.50100 # cp,cp,cp,c
dihedral_coeff 21 bb13 0.00000 1.41700 0.99590 # cp,cp,n_2,hn2
dihedral_coeff 22 bb13 0.00000 1.41700 1.35800 # cp,cp,n_2,c_2
dihedral_coeff 23 bb13 0.00000 1.41700 1.50100 # cp,cp,c,cp
dihedral_coeff 24 bb13 -3.48260 1.41700 1.10100 # cp,cp,c,hc
dihedral_coeff 25 bb13 0.00000 1.43900 1.35800 # cp,n_2,c_2,n_2
dihedral_coeff 26 bb13 -1.70770 1.09820 1.09820 # hc,cp,cp,hc
dihedral_coeff 27 bb13 0.00000 1.09820 1.43900 # hc,cp,cp,n_2
dihedral_coeff 28 bb13 0.87430 1.09820 1.50100 # hc,cp,cp,c
dihedral_coeff 29 bb13 0.00000 1.10100 1.10100 # hc,c,c,hc
dihedral_coeff 30 bb13 0.00000 1.10100 1.53000 # hc,c,c,c
dihedral_coeff 31 bb13 0.00000 1.10100 1.43000 # hc,c,c,o_2
dihedral_coeff 32 bb13 0.00000 1.10100 1.42000 # hc,c,c,oc
dihedral_coeff 33 bb13 0.00000 1.10100 1.42000 # hc,c,oc,c
dihedral_coeff 34 bb13 0.00000 1.35800 0.99590 # n_2,c_2,n_2,hn2
dihedral_coeff 35 bb13 0.00000 1.53000 1.53000 # c,c,c,c
dihedral_coeff 36 bb13 0.00000 1.53000 1.43000 # c,c,c,o_2
dihedral_coeff 37 bb13 0.00000 1.53000 1.42000 # c,c,c,oc
dihedral_coeff 38 bb13 0.00000 1.53000 1.42000 # c,c,oc,c
# Improper Coeffs
improper_coeff 1 49.37400 0.00000 # c_1,o_1,cp,o_2
improper_coeff 2 49.37400 0.00000 # c_1,o_1,o_2,cp
improper_coeff 3 38.79490 0.00000 # c_0,o_1,c,cp
improper_coeff 4 17.05260 0.00000 # cp,c_1,cp,cp
improper_coeff 5 10.00000 0.00000 # cp,c_0,cp,cp
improper_coeff 6 4.89120 0.00000 # cp,cp,cp,hc
improper_coeff 7 17.05260 0.00000 # cp,cp,cp,n_2
improper_coeff 8 7.81530 0.00000 # cp,cp,cp,c
improper_coeff 9 4.41810 0.00000 # n_2,cp,hn2,c_2
improper_coeff 10 4.41810 0.00000 # n_2,cp,c_2,hn2
improper_coeff 11 59.37400 0.00000 # c_2,o_1,n_2,n_2
improper_coeff 12 0.00000 0.00000 # c,c_0,hc,hc
improper_coeff 13 0.00000 0.00000 # c,cp,cp,hc
improper_coeff 14 0.00000 0.00000 # c,cp,hc,hc
improper_coeff 15 0.00000 0.00000 # c,hc,hc,hc
improper_coeff 16 0.00000 0.00000 # c,hc,hc,c
improper_coeff 17 0.00000 0.00000 # c,hc,hc,o_2
improper_coeff 18 0.00000 0.00000 # c,hc,hc,oc
improper_coeff 19 0.00000 0.00000 # c,hc,c,c
improper_coeff 20 0.00000 0.00000 # c,hc,c,o_2
improper_coeff 21 0.00000 0.00000 # c,hc,c,oc
improper_coeff 22 0.00000 0.00000 # c,hc,o_2,c
improper_coeff 23 0.00000 0.00000 # c,hc,oc,c
# AngleAngle Coeffs
improper_coeff 1 aa 0.00000 0.00000 0.00000 125.53200 120.79700 108.44000 # c_1,o_1,cp,o_2
improper_coeff 2 aa 0.00000 0.00000 0.00000 120.79700 125.53200 108.44000 # c_1,o_1,o_2,cp
improper_coeff 3 aa 0.00000 0.00000 0.00000 119.30000 119.30000 110.58840 # c_0,o_1,c,cp
improper_coeff 4 aa 0.00000 5.98630 0.00000 116.06400 116.06400 118.90000 # cp,c_1,cp,cp
improper_coeff 5 aa 0.00000 0.00000 0.00000 108.40000 108.40000 118.90000 # cp,c_0,cp,cp
improper_coeff 6 aa 0.00000 0.00000 0.00000 118.90000 117.94000 117.94000 # cp,cp,cp,hc
improper_coeff 7 aa 0.00000 0.00000 0.00000 118.90000 120.76400 120.76400 # cp,cp,cp,n_2
improper_coeff 8 aa 0.00000 0.00000 0.00000 118.90000 120.05000 120.05000 # cp,cp,cp,c
improper_coeff 9 aa 0.00000 0.00000 0.00000 116.32300 120.07000 122.94800 # n_2,cp,hn2,c_2
improper_coeff 10 aa 0.00000 0.00000 0.00000 120.07000 116.32300 122.94800 # n_2,cp,c_2,hn2
improper_coeff 11 aa 0.00000 0.00000 0.00000 125.53200 125.53200 114.52920 # c_2,o_1,n_2,n_2
improper_coeff 12 aa -1.76530 -0.38790 -1.76530 107.85940 107.85940 107.66000 # c,c_0,hc,hc
improper_coeff 13 aa 0.00000 0.00000 0.00000 111.00000 111.00000 111.00000 # c,cp,cp,hc
improper_coeff 14 aa 2.37940 3.01180 2.37940 111.00000 111.00000 107.66000 # c,cp,hc,hc
improper_coeff 15 aa -0.31570 -0.31570 -0.31570 107.66000 107.66000 107.66000 # c,hc,hc,hc
improper_coeff 16 aa 0.27380 0.27380 -0.48250 107.66000 110.77000 110.77000 # c,hc,hc,c
improper_coeff 17 aa 0.00000 0.00000 0.00000 107.66000 107.68800 107.68800 # c,hc,hc,o_2
improper_coeff 18 aa 2.42590 2.42590 2.12830 107.66000 108.72800 108.72800 # c,hc,hc,oc
improper_coeff 19 aa -1.31990 0.11840 -1.31990 110.77000 110.77000 112.67000 # c,hc,c,c
improper_coeff 20 aa 0.00000 0.00000 0.00000 110.77000 107.68800 107.41000 # c,hc,c,o_2
improper_coeff 21 aa 2.59260 3.91770 0.16890 110.77000 108.72800 111.27000 # c,hc,c,oc
improper_coeff 22 aa 0.00000 0.00000 0.00000 107.68800 110.77000 107.41000 # c,hc,o_2,c
improper_coeff 23 aa 0.16890 3.91770 2.59260 108.72800 110.77000 111.27000 # c,hc,oc,c