# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2012--Park-H-Fellinger-M-R-Lenosky-T-J-et-al--Mo # implementation = 2012--Park-H--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 2.066816291e+01 0.04 2.043756482e+01 0.06 2.020696674e+01 0.08 1.997636866e+01 0.10 1.974577057e+01 0.12 1.951517249e+01 0.14 1.928457441e+01 0.16 1.905397632e+01 0.18 1.882337824e+01 0.20 1.859278016e+01 0.22 1.836218207e+01 0.24 1.813158399e+01 0.26 1.790098591e+01 0.28 1.767038782e+01 0.30 1.743978974e+01 0.32 1.720919166e+01 0.34 1.697859357e+01 0.36 1.674799549e+01 0.38 1.651739741e+01 0.40 1.628679932e+01 0.42 1.605620124e+01 0.44 1.582560316e+01 0.46 1.559500507e+01 0.48 1.536440699e+01 0.50 1.513380891e+01 0.52 1.490321082e+01 0.54 1.467261274e+01 0.56 1.444201465e+01 0.58 1.421141657e+01 0.60 1.398081849e+01 0.62 1.375022040e+01 0.64 1.351962232e+01 0.66 1.328902424e+01 0.68 1.305842615e+01 0.70 1.282782807e+01 0.72 1.259722999e+01 0.74 1.236663190e+01 0.76 1.213603382e+01 0.78 1.190543574e+01 0.80 1.167483765e+01 0.82 1.144423957e+01 0.84 1.121364149e+01 0.86 1.098304340e+01 0.88 1.075244532e+01 0.90 1.052184724e+01 0.92 1.029124915e+01 0.94 1.006065107e+01 0.96 9.830052987e+00 0.98 9.599454903e+00 1.00 9.368856820e+00 1.02 9.138258736e+00 1.04 8.907660653e+00 1.06 8.677062570e+00 1.08 8.446464486e+00 1.10 8.215866403e+00 1.12 7.985268319e+00 1.14 7.754670236e+00 1.16 7.524072152e+00 1.18 7.293474069e+00 1.20 7.062875986e+00 1.22 6.832277902e+00 1.24 6.601679819e+00 1.26 6.371081735e+00 1.28 6.140483652e+00 1.30 5.909885568e+00 1.32 5.679287485e+00 1.34 5.448689402e+00 1.36 5.218091318e+00 1.38 4.987493235e+00 1.40 4.756895151e+00 1.42 4.526297068e+00 1.44 4.295698985e+00 1.46 4.065100901e+00 1.48 3.834502818e+00 1.50 3.603904734e+00 1.52 3.373306651e+00 1.54 3.142708567e+00 1.56 2.912110484e+00 1.58 2.681512401e+00 1.60 2.450914317e+00 1.62 2.220316234e+00 1.64 1.989718150e+00 1.66 1.759120067e+00 1.68 1.528521984e+00 1.70 1.297923900e+00 1.72 1.067325817e+00 1.74 8.367277333e-01 1.76 6.061296499e-01 1.78 3.755315665e-01 1.80 1.449334830e-01 1.82 -8.566460037e-02 1.84 -3.162626838e-01 1.86 -5.468607672e-01 1.88 -7.774588506e-01 1.90 -1.008056934e+00 1.92 -1.238655017e+00 1.94 -1.469253101e+00 1.96 -1.699851184e+00 1.98 -1.930449268e+00 2.00 -2.161047351e+00 2.02 -2.387674291e+00 2.04 -2.575917382e+00 2.06 -2.720807984e+00 2.08 -2.826065571e+00 2.10 -2.895409620e+00 2.12 -2.932559604e+00 2.14 -2.941235000e+00 2.16 -2.925155281e+00 2.18 -2.888039924e+00 2.20 -2.833608403e+00 2.22 -2.765580193e+00 2.24 -2.687674769e+00 2.26 -2.603611607e+00 2.28 -2.517110181e+00 2.30 -2.431856096e+00 2.32 -2.349945796e+00 2.34 -2.271238603e+00 2.36 -2.195494134e+00 2.38 -2.122622562e+00 2.40 -2.052554051e+00 2.42 -1.985218763e+00 2.44 -1.920546860e+00 2.46 -1.858468505e+00 2.48 -1.798913861e+00 2.50 -1.741813090e+00 2.52 -1.687096355e+00 2.54 -1.634693818e+00 2.56 -1.584535641e+00 2.58 -1.536552808e+00 2.60 -1.490725797e+00 2.62 -1.447111966e+00 2.64 -1.405775305e+00 2.66 -1.366779808e+00 2.68 -1.330163757e+00 2.70 -1.295864254e+00 2.72 -1.263793508e+00 2.74 -1.233863727e+00 2.76 -1.205987119e+00 2.78 -1.180075893e+00 2.80 -1.156042257e+00 2.82 -1.133798421e+00 2.84 -1.113256591e+00 2.86 -1.094328681e+00 2.88 -1.076902776e+00 2.90 -1.060826097e+00 2.92 -1.045941843e+00 2.94 -1.032093214e+00 2.96 -1.019123408e+00 2.98 -1.006875627e+00 3.00 -9.951945664e-01 3.02 -9.839358309e-01 3.04 -9.729598455e-01 3.06 -9.621270566e-01 3.08 -9.512979108e-01 3.10 -9.403328546e-01 3.12 -9.290923346e-01 3.14 -9.174372448e-01 3.16 -9.052782468e-01 3.18 -8.926203961e-01 3.20 -8.794792839e-01 3.22 -8.658705014e-01 3.24 -8.518096399e-01 3.26 -8.373122904e-01 3.28 -8.223940444e-01 3.30 -8.070704930e-01 3.32 -7.913544190e-01 3.34 -7.752172886e-01 3.36 -7.585991196e-01 3.38 -7.414391410e-01 3.40 -7.236765820e-01 3.42 -7.052508847e-01 3.44 -6.861362648e-01 3.46 -6.663799662e-01 3.48 -6.460384443e-01 3.50 -6.251681543e-01 3.52 -6.038255517e-01 3.54 -5.820670917e-01 3.56 -5.599492298e-01 3.58 -5.375284211e-01 3.60 -5.148611211e-01 3.62 -4.920037851e-01 3.64 -4.690121518e-01 3.66 -4.459147137e-01 3.68 -4.227049166e-01 3.70 -3.993740371e-01 3.72 -3.759491945e-01 3.74 -3.525409854e-01 3.76 -3.292718654e-01 3.78 -3.062642902e-01 3.80 -2.836407152e-01 3.82 -2.615235962e-01 3.84 -2.400353887e-01 3.86 -2.192985483e-01 3.88 -1.994355308e-01 3.90 -1.805687916e-01 3.92 -1.628207864e-01 3.94 -1.463139709e-01 3.96 -1.311709077e-01 3.98 -1.175358131e-01 4.00 -1.055300904e-01 4.02 -9.509784165e-02 4.04 -8.615384591e-02 4.06 -7.861288248e-02 4.08 -7.238973060e-02 4.10 -6.739916951e-02 4.12 -6.355597845e-02 4.14 -6.077493666e-02 4.16 -5.897082339e-02 4.18 -5.805841788e-02 4.20 -5.795249937e-02 4.22 -5.856784710e-02 4.24 -5.981924032e-02 4.26 -6.162146297e-02 4.28 -6.389401634e-02 4.30 -6.656447353e-02 4.32 -6.954098057e-02 4.34 -7.272626326e-02 4.36 -7.602304743e-02 4.38 -7.933405889e-02 4.40 -8.256202346e-02 4.42 -8.560966695e-02 4.44 -8.837971518e-02 4.46 -9.077489397e-02 4.48 -9.269792913e-02 4.50 -9.405154647e-02 4.52 -9.473847182e-02 4.54 -9.466144342e-02 4.56 -9.376132809e-02 4.58 -9.210132704e-02 4.60 -8.976912684e-02 4.62 -8.685201305e-02 4.64 -8.343432818e-02 4.66 -7.959910351e-02 4.68 -7.542936434e-02 4.70 -7.100813594e-02 4.72 -6.641844361e-02 4.74 -6.174331261e-02 4.76 -5.706576824e-02 4.78 -5.246883578e-02 4.80 -4.803554051e-02 4.82 -4.384890687e-02 4.84 -3.997335236e-02 4.86 -3.640666468e-02 4.88 -3.313172319e-02 4.90 -3.013140724e-02 4.92 -2.738859616e-02 4.94 -2.488652712e-02 4.96 -2.261375736e-02 4.98 -2.056292220e-02 5.00 -1.872676089e-02 5.02 -1.709801266e-02 5.04 -1.566941674e-02 5.06 -1.443371239e-02 5.08 -1.338363882e-02 5.10 -1.251193530e-02 5.12 -1.173161932e-02 5.14 -1.096316491e-02 5.16 -1.021049606e-02 5.18 -9.477536754e-03 5.20 -8.768210980e-03 5.22 -8.086442727e-03 5.24 -7.436155985e-03 5.26 -6.821218248e-03 5.28 -6.243314755e-03 5.30 -5.701303894e-03 5.32 -5.193855934e-03 5.34 -4.719641145e-03 5.36 -4.277329796e-03 5.38 -3.865592155e-03 5.40 -3.483098491e-03 5.42 -3.128519074e-03 5.44 -2.800524171e-03 5.46 -2.497784053e-03 5.48 -2.218968988e-03 5.50 -1.962749244e-03 5.52 -1.727795092e-03 5.54 -1.512776799e-03 5.56 -1.316364634e-03 5.58 -1.137229748e-03 5.60 -9.742287590e-04 5.62 -8.266314673e-04 5.64 -6.937634847e-04 5.66 -5.749504226e-04 5.68 -4.695178922e-04 5.70 -3.767915050e-04 5.72 -2.960968722e-04 5.74 -2.267596052e-04 5.76 -1.681053154e-04 5.78 -1.194596141e-04 5.80 -8.014811261e-05 5.82 -4.949642232e-05 5.84 -2.683015457e-05 5.86 -1.147492071e-05 5.88 -2.756332068e-06 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