# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1987--Ackland-G-J-Thetford-R--Mo # implementation = 1987--Ackland-G-J--Mo--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Mo Mo 0.02 2.327783790e+04 0.04 2.111680255e+04 0.06 1.915708318e+04 0.08 1.738005662e+04 0.10 1.576880436e+04 0.12 1.430795823e+04 0.14 1.298355984e+04 0.16 1.178293272e+04 0.18 1.069456581e+04 0.20 9.708007594e+03 0.22 8.813769620e+03 0.24 8.003238767e+03 0.26 7.268597406e+03 0.28 6.602750769e+03 0.30 5.999260879e+03 0.32 5.452286445e+03 0.34 4.956528212e+03 0.36 4.507179247e+03 0.38 4.099879742e+03 0.40 3.730675911e+03 0.42 3.395982628e+03 0.44 3.092549459e+03 0.46 2.817429794e+03 0.48 2.567952782e+03 0.50 2.341697838e+03 0.52 2.136471473e+03 0.54 1.950286242e+03 0.56 1.781341619e+03 0.58 1.628006632e+03 0.60 1.488804083e+03 0.62 1.362396222e+03 0.64 1.247571736e+03 0.66 1.143233940e+03 0.68 1.048390056e+03 0.70 9.621414758e+02 0.72 8.836749313e+02 0.74 8.122544787e+02 0.76 7.472142247e+02 0.78 6.879517289e+02 0.80 6.339220187e+02 0.82 5.846321602e+02 0.84 5.396363362e+02 0.86 4.985313819e+02 0.88 4.609527385e+02 0.90 4.265707848e+02 0.92 3.950875122e+02 0.94 3.662335122e+02 0.96 3.397652465e+02 0.98 3.154625735e+02 1.00 2.931265085e+02 1.02 2.725771950e+02 1.04 2.536520673e+02 1.06 2.362041877e+02 1.08 2.201007406e+02 1.10 2.052216700e+02 1.12 1.914584466e+02 1.14 1.787129520e+02 1.16 1.668964696e+02 1.18 1.559287722e+02 1.20 1.457372960e+02 1.22 1.362563952e+02 1.24 1.274266669e+02 1.26 1.191943419e+02 1.28 1.115107337e+02 1.30 1.043317410e+02 1.32 9.761739831e+01 1.34 9.133147004e+01 1.36 8.544108408e+01 1.38 7.991640110e+01 1.40 7.473031604e+01 1.42 6.985818884e+01 1.44 6.527760151e+01 1.46 6.096813902e+01 1.48 5.691119182e+01 1.50 5.308977778e+01 1.52 4.948838171e+01 1.54 4.609281083e+01 1.56 4.289006453e+01 1.58 3.986821712e+01 1.60 3.701631229e+01 1.62 3.432426806e+01 1.64 3.178279133e+01 1.66 2.938330098e+01 1.68 2.711785873e+01 1.70 2.497910698e+01 1.72 2.296021291e+01 1.74 2.105481835e+01 1.76 1.925713369e+01 1.78 1.756208154e+01 1.80 1.596451143e+01 1.82 1.445955670e+01 1.84 1.304264164e+01 1.86 1.170945523e+01 1.88 1.045592768e+01 1.90 9.278209387e+00 1.92 8.172652077e+00 1.94 7.135791930e+00 1.96 6.164334486e+00 1.98 5.255141139e+00 2.00 4.405217058e+00 2.02 3.611700403e+00 2.04 2.871852681e+00 2.06 2.183050138e+00 2.08 1.542776082e+00 2.10 9.486140338e-01 2.12 3.982416143e-01 2.14 -1.105748922e-01 2.16 -5.799853857e-01 2.18 -1.012060263e+00 2.20 -1.408794252e+00 2.22 -1.772109824e+00 2.24 -2.103860223e+00 2.26 -2.405832152e+00 2.28 -2.679748160e+00 2.30 -2.927268759e+00 2.32 -3.149994293e+00 2.34 -3.349466601e+00 2.36 -3.527170483e+00 2.38 -3.684534993e+00 2.40 -3.822934586e+00 2.42 -3.943690126e+00 2.44 -4.048069780e+00 2.46 -4.137289795e+00 2.48 -4.212515191e+00 2.50 -4.274860365e+00 2.52 -4.325389621e+00 2.54 -4.365117639e+00 2.56 -4.395009876e+00 2.58 -4.415982928e+00 2.60 -4.428904837e+00 2.62 -4.434595365e+00 2.64 -4.433826224e+00 2.66 -4.427321288e+00 2.68 -4.415756763e+00 2.70 -4.399761344e+00 2.72 -4.379916349e+00 2.74 -4.356755743e+00 2.76 -4.330765603e+00 2.78 -4.302384788e+00 2.80 -4.272005453e+00 2.82 -4.239973056e+00 2.84 -4.206586356e+00 2.86 -4.172097417e+00 2.88 -4.136711602e+00 2.90 -4.100587580e+00 2.92 -4.063837319e+00 2.94 -4.026526091e+00 2.96 -3.988672470e+00 2.98 -3.950248332e+00 3.00 -3.911178857e+00 3.02 -3.871342525e+00 3.04 -3.830571119e+00 3.06 -3.788649727e+00 3.08 -3.745316735e+00 3.10 -3.700263833e+00 3.12 -3.653136016e+00 3.14 -3.603531577e+00 3.16 -3.551002115e+00 3.18 -3.495052528e+00 3.20 -3.435141020e+00 3.22 -3.370679094e+00 3.24 -3.301031558e+00 3.26 -3.226309577e+00 3.28 -3.150824899e+00 3.30 -3.075340219e+00 3.32 -2.999855539e+00 3.34 -2.924370859e+00 3.36 -2.848886179e+00 3.38 -2.773401499e+00 3.40 -2.697916819e+00 3.42 -2.622432139e+00 3.44 -2.546947459e+00 3.46 -2.471462779e+00 3.48 -2.395978099e+00 3.50 -2.320493419e+00 3.52 -2.245008739e+00 3.54 -2.169524059e+00 3.56 -2.094039379e+00 3.58 -2.018554699e+00 3.60 -1.943070019e+00 3.62 -1.867585340e+00 3.64 -1.792100659e+00 3.66 -1.716615980e+00 3.68 -1.641131302e+00 3.70 -1.565646623e+00 3.72 -1.490161943e+00 3.74 -1.414677259e+00 3.76 -1.339192590e+00 3.78 -1.263707901e+00 3.80 -1.188223248e+00 3.82 -1.112738579e+00 3.84 -1.037253917e+00 3.86 -9.617692991e-01 3.88 -8.862846679e-01 3.90 -8.107996903e-01 3.92 -7.353159078e-01 3.94 -6.598299163e-01 3.96 -5.843387881e-01 3.98 -5.088240027e-01 4.00 -4.320804649e-01 4.02 -3.649729298e-01 4.04 -2.822255125e-01 4.06 -1.624101085e-01 4.08 -6.410841632e-02 4.10 -1.119074633e-02 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00 6.02 0.000000000e+00 6.04 0.000000000e+00 6.06 0.000000000e+00 6.08 0.000000000e+00 6.10 0.000000000e+00 6.12 0.000000000e+00 6.14 0.000000000e+00 6.16 0.000000000e+00 6.18 0.000000000e+00 6.20 0.000000000e+00 6.22 0.000000000e+00 6.24 0.000000000e+00 6.26 0.000000000e+00 6.28 0.000000000e+00 6.30 0.000000000e+00 6.32 0.000000000e+00 6.34 0.000000000e+00 6.36 0.000000000e+00 6.38 0.000000000e+00 6.40 0.000000000e+00 6.42 0.000000000e+00 6.44 0.000000000e+00 6.46 0.000000000e+00 6.48 0.000000000e+00 6.50 0.000000000e+00 6.52 0.000000000e+00 6.54 0.000000000e+00 6.56 0.000000000e+00 6.58 0.000000000e+00 6.60 0.000000000e+00 6.62 0.000000000e+00 6.64 0.000000000e+00 6.66 0.000000000e+00 6.68 0.000000000e+00 6.70 0.000000000e+00 6.72 0.000000000e+00 6.74 0.000000000e+00 6.76 0.000000000e+00 6.78 0.000000000e+00 6.80 0.000000000e+00 6.82 0.000000000e+00 6.84 0.000000000e+00 6.86 0.000000000e+00 6.88 0.000000000e+00 6.90 0.000000000e+00 6.92 0.000000000e+00 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 7.28 0.000000000e+00 7.30 0.000000000e+00 7.32 0.000000000e+00 7.34 0.000000000e+00 7.36 0.000000000e+00 7.38 0.000000000e+00 7.40 0.000000000e+00 7.42 0.000000000e+00 7.44 0.000000000e+00 7.46 0.000000000e+00 7.48 0.000000000e+00 7.50 0.000000000e+00 7.52 0.000000000e+00 7.54 0.000000000e+00 7.56 0.000000000e+00 7.58 0.000000000e+00 7.60 0.000000000e+00 7.62 0.000000000e+00 7.64 0.000000000e+00 7.66 0.000000000e+00 7.68 0.000000000e+00 7.70 0.000000000e+00 7.72 0.000000000e+00 7.74 0.000000000e+00 7.76 0.000000000e+00 7.78 0.000000000e+00 7.80 0.000000000e+00 7.82 0.000000000e+00 7.84 0.000000000e+00 7.86 0.000000000e+00 7.88 0.000000000e+00 7.90 0.000000000e+00 7.92 0.000000000e+00 7.94 0.000000000e+00 7.96 0.000000000e+00 7.98 0.000000000e+00 8.00 0.000000000e+00 8.02 0.000000000e+00 8.04 0.000000000e+00 8.06 0.000000000e+00 8.08 0.000000000e+00 8.10 0.000000000e+00 8.12 0.000000000e+00 8.14 0.000000000e+00 8.16 0.000000000e+00 8.18 0.000000000e+00 8.20 0.000000000e+00 8.22 0.000000000e+00 8.24 0.000000000e+00 8.26 0.000000000e+00 8.28 0.000000000e+00 8.30 0.000000000e+00 8.32 0.000000000e+00 8.34 0.000000000e+00 8.36 0.000000000e+00 8.38 0.000000000e+00 8.40 0.000000000e+00 8.42 0.000000000e+00 8.44 0.000000000e+00 8.46 0.000000000e+00 8.48 0.000000000e+00 8.50 0.000000000e+00 8.52 0.000000000e+00 8.54 0.000000000e+00 8.56 0.000000000e+00 8.58 0.000000000e+00 8.60 0.000000000e+00 8.62 0.000000000e+00 8.64 0.000000000e+00 8.66 0.000000000e+00 8.68 0.000000000e+00 8.70 0.000000000e+00 8.72 0.000000000e+00 8.74 0.000000000e+00 8.76 0.000000000e+00 8.78 0.000000000e+00 8.80 0.000000000e+00 8.82 0.000000000e+00 8.84 0.000000000e+00 8.86 0.000000000e+00 8.88 0.000000000e+00 8.90 0.000000000e+00 8.92 0.000000000e+00 8.94 0.000000000e+00 8.96 0.000000000e+00 8.98 0.000000000e+00 9.00 0.000000000e+00 9.02 0.000000000e+00 9.04 0.000000000e+00 9.06 0.000000000e+00 9.08 0.000000000e+00 9.10 0.000000000e+00 9.12 0.000000000e+00 9.14 0.000000000e+00 9.16 0.000000000e+00 9.18 0.000000000e+00 9.20 0.000000000e+00 9.22 0.000000000e+00 9.24 0.000000000e+00 9.26 0.000000000e+00 9.28 0.000000000e+00 9.30 0.000000000e+00 9.32 0.000000000e+00 9.34 0.000000000e+00 9.36 0.000000000e+00 9.38 0.000000000e+00 9.40 0.000000000e+00 9.42 0.000000000e+00 9.44 0.000000000e+00 9.46 0.000000000e+00 9.48 0.000000000e+00 9.50 0.000000000e+00 9.52 0.000000000e+00 9.54 0.000000000e+00 9.56 0.000000000e+00 9.58 0.000000000e+00 9.60 0.000000000e+00 9.62 0.000000000e+00 9.64 0.000000000e+00 9.66 0.000000000e+00 9.68 0.000000000e+00 9.70 0.000000000e+00 9.72 0.000000000e+00 9.74 0.000000000e+00 9.76 0.000000000e+00 9.78 0.000000000e+00 9.80 0.000000000e+00 9.82 0.000000000e+00 9.84 0.000000000e+00 9.86 0.000000000e+00 9.88 0.000000000e+00 9.90 0.000000000e+00 9.92 0.000000000e+00 9.94 0.000000000e+00 9.96 0.000000000e+00 9.98 0.000000000e+00 10.00 0.000000000e+00