particles { particle: particle_type=O, element_name=O, sigma=2.96, epsilon=0.21, sigma14=2.96, epsilon14=0.21, mass=15.9994, free=3, charge=-0.6452; particle: particle_type=OS, element_name=O, sigma=3, epsilon=0.17, sigma14=3, epsilon14=0.17, mass=15.9994, free=3, charge=-0.4684; particle: particle_type=C, element_name=C, sigma=3.75, epsilon=0.105, sigma14=3.75, epsilon14=0.105, mass=12.0107, free=3, charge=1.0996; particle: particle_type=CT, element_name=C, sigma=3.5, epsilon=0.066, sigma14=3.5, epsilon14=0.066, mass=12.0107, free=3, charge=0.033; particle: particle_type=H1, element_name=H, sigma=2.5, epsilon=0.03, sigma14=2.5, epsilon14=0.03, mass=1.00794, free=3, charge=0.1041; particle: particle_type=Li, element_name=Li, sigma=1.46, epsilon=0.191, sigma14=1.46, epsilon14=0.191, mass=6.941, free=3, charge=1; particle: particle_type=B, element_name=B, sigma=3.581, epsilon=0.0949, sigma14=3.581, epsilon14=0.0949, mass=10.811, free=3, charge=0.9756; particle: particle_type=F, element_name=F, sigma=3, epsilon=0.068, sigma14=3, epsilon14=0.068, mass=18.9984, free=3, charge=-0.4939; }; bonds { bond: particle_type1=C, particle_type2=O, bond_type=harmonic, k_b=570, r_0=1.229, k=0, e_0=0; bond: particle_type1=C, particle_type2=OS, bond_type=harmonic, k_b=320, r_0=1.41, k=0, e_0=0; bond: particle_type1=OS, particle_type2=CT, bond_type=harmonic, k_b=320, r_0=1.41, k=0, e_0=0; bond: particle_type1=CT, particle_type2=H1, bond_type=harmonic, k_b=340, r_0=1.09, k=0, e_0=0; bond: particle_type1=CT, particle_type2=CT, bond_type=harmonic, k_b=310, r_0=1.526, k=0, e_0=0; bond: particle_type1=B, particle_type2=F, bond_type=harmonic, k_b=289.72, r_0=1.39, k=0, e_0=0; }; angles { angle: particle_type1=O, particle_type2=C, particle_type3=OS, angle_type=harmonic, k_th=80, theta_0=126, k_1=39.369026, k_2=21.653705, k=0, cos_theta_0=0, k_ub=16.052141, S_0=2.561; angle: particle_type1=CT, particle_type2=OS, particle_type3=C, angle_type=harmonic, k_th=60, theta_0=109.5, k_1=39.369026, k_2=21.653705, k=0, cos_theta_0=0, k_ub=16.052141, S_0=2.561; angle: particle_type1=CT, particle_type2=CT, particle_type3=H1, angle_type=harmonic, k_th=50, theta_0=109.5, k_1=39.369026, k_2=21.653705, k=0, cos_theta_0=0, k_ub=16.052141, S_0=2.561; angle: particle_type1=H1, particle_type2=CT, particle_type3=OS, angle_type=harmonic, k_th=50, theta_0=109.5, k_1=39.369026, k_2=21.653705, k=0, cos_theta_0=0, k_ub=16.052141, S_0=2.561; angle: particle_type1=CT, particle_type2=CT, particle_type3=OS, angle_type=harmonic, k_th=50, theta_0=109.5, k_1=39.369026, k_2=21.653705, k=0, cos_theta_0=0, k_ub=16.052141, S_0=2.561; angle: particle_type1=OS, particle_type2=C, particle_type3=OS, angle_type=harmonic, k_th=80, theta_0=126, k_1=39.369026, k_2=21.653705, k=0, cos_theta_0=0, k_ub=16.052141, S_0=2.561; angle: particle_type1=H1, particle_type2=CT, particle_type3=H1, angle_type=harmonic, k_th=35, theta_0=109.5, k_1=39.369026, k_2=21.653705, k=0, cos_theta_0=0, k_ub=16.052141, S_0=2.561; angle: particle_type1=F, particle_type2=B, particle_type3=F, angle_type=harmonic, k_th=50, theta_0=109.5, k_1=39.369026, k_2=21.653705, k=0, cos_theta_0=0, k_ub=16.052141, S_0=2.561; }; torsions { torsion: particle_type1=OS, particle_type2=CT, particle_type3=CT, particle_type4=OS, torsion_type=cosine, k=0, a0=0, a1=0, a2=0, a3=0, a4=0, a5=0, mult=1, k_1=1.4, n_1=3, delta_1=0; torsion: particle_type1=OS, particle_type2=CT, particle_type3=CT, particle_type4=H1, torsion_type=cosine, k=0, a0=0, a1=0, a2=0, a3=0, a4=0, a5=0, mult=1, k_1=1.4, n_1=3, delta_1=0; torsion: particle_type1=H1, particle_type2=CT, particle_type3=CT, particle_type4=H1, torsion_type=cosine, k=0, a0=0, a1=0, a2=0, a3=0, a4=0, a5=0, mult=1, k_1=1.4, n_1=3, delta_1=0; torsion: particle_type1=CT, particle_type2=CT, particle_type3=OS, particle_type4=C, torsion_type=cosine, k=0, a0=0, a1=0, a2=0, a3=0, a4=0, a5=0, mult=1, k_1=1.15, n_1=3, delta_1=0; torsion: particle_type1=H1, particle_type2=CT, particle_type3=OS, particle_type4=C, torsion_type=cosine, k=0, a0=0, a1=0, a2=0, a3=0, a4=0, a5=0, mult=1, k_1=1.15, n_1=3, delta_1=0; torsion: particle_type1=O, particle_type2=C, particle_type3=OS, particle_type4=CT, torsion_type=cosine, k=0, a0=0, a1=0, a2=0, a3=0, a4=0, a5=0, mult=1, k_1=10.5, n_1=2, delta_1=180; }; nonbonded_2body_potentials { lennardjones: particle_type1=O, particle_type2=O, r_cut=12.5; lennardjones: particle_type1=O, particle_type2=OS, r_cut=12.5; lennardjones: particle_type1=O, particle_type2=C, r_cut=12.5; lennardjones: particle_type1=O, particle_type2=CT, r_cut=12.5; lennardjones: particle_type1=O, particle_type2=H1, r_cut=12.5; lennardjones: particle_type1=OS, particle_type2=OS, r_cut=12.5; lennardjones: particle_type1=OS, particle_type2=C, r_cut=12.5; lennardjones: particle_type1=OS, particle_type2=CT, r_cut=12.5; lennardjones: particle_type1=OS, particle_type2=H1, r_cut=12.5; lennardjones: particle_type1=C, particle_type2=C, r_cut=12.5; lennardjones: particle_type1=C, particle_type2=CT, r_cut=12.5; lennardjones: particle_type1=C, particle_type2=H1, r_cut=12.5; lennardjones: particle_type1=CT, particle_type2=CT, r_cut=12.5; lennardjones: particle_type1=CT, particle_type2=H1, r_cut=12.5; lennardjones: particle_type1=H1, particle_type2=H1, r_cut=12.5; ljspline: particle_type1=O, particle_type2=O, r_cut=12.5, r_l=11; ljspline: particle_type1=O, particle_type2=OS, r_cut=12.5, r_l=11; ljspline: particle_type1=O, particle_type2=C, r_cut=12.5, r_l=11; ljspline: particle_type1=O, particle_type2=CT, r_cut=12.5, r_l=11; ljspline: particle_type1=O, particle_type2=H1, r_cut=12.5, r_l=11; ljspline: particle_type1=OS, particle_type2=OS, r_cut=12.5, r_l=11; ljspline: particle_type1=OS, particle_type2=C, r_cut=12.5, r_l=11; ljspline: particle_type1=OS, particle_type2=CT, r_cut=12.5, r_l=11; ljspline: particle_type1=OS, particle_type2=H1, r_cut=12.5, r_l=11; ljspline: particle_type1=C, particle_type2=C, r_cut=12.5, r_l=11; ljspline: particle_type1=C, particle_type2=CT, r_cut=12.5, r_l=11; ljspline: particle_type1=C, particle_type2=H1, r_cut=12.5, r_l=11; ljspline: particle_type1=CT, particle_type2=CT, r_cut=12.5, r_l=11; ljspline: particle_type1=CT, particle_type2=H1, r_cut=12.5, r_l=11; ljspline: particle_type1=H1, particle_type2=H1, r_cut=12.5, r_l=11; ljspline: particle_type1=O, particle_type2=Li, r_cut=12.5, r_l=11; ljspline: particle_type1=O, particle_type2=B, r_cut=12.5, r_l=11; ljspline: particle_type1=O, particle_type2=F, r_cut=12.5, r_l=11; ljspline: particle_type1=OS, particle_type2=Li, r_cut=12.5, r_l=11; ljspline: particle_type1=OS, particle_type2=B, r_cut=12.5, r_l=11; ljspline: particle_type1=OS, particle_type2=F, r_cut=12.5, r_l=11; ljspline: particle_type1=C, particle_type2=Li, r_cut=12.5, r_l=11; ljspline: particle_type1=C, particle_type2=B, r_cut=12.5, r_l=11; ljspline: particle_type1=C, particle_type2=F, r_cut=12.5, r_l=11; ljspline: particle_type1=CT, particle_type2=Li, r_cut=12.5, r_l=11; ljspline: particle_type1=CT, particle_type2=B, r_cut=12.5, r_l=11; ljspline: particle_type1=CT, particle_type2=F, r_cut=12.5, r_l=11; ljspline: particle_type1=H1, particle_type2=Li, r_cut=12.5, r_l=11; ljspline: particle_type1=H1, particle_type2=B, r_cut=12.5, r_l=11; ljspline: particle_type1=H1, particle_type2=F, r_cut=12.5, r_l=11; ljspline: particle_type1=Li, particle_type2=Li, r_cut=12.5, r_l=11; ljspline: particle_type1=Li, particle_type2=B, r_cut=12.5, r_l=11; ljspline: particle_type1=Li, particle_type2=F, r_cut=12.5, r_l=11; ljspline: particle_type1=B, particle_type2=B, r_cut=12.5, r_l=11; ljspline: particle_type1=B, particle_type2=F, r_cut=12.5, r_l=11; ljspline: particle_type1=F, particle_type2=F, r_cut=12.5, r_l=11; };