# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2001--Lee-B-J-Baskes-M-I-Kim-H-Cho-Y-K--Mo # implementation = 2001--Lee-B-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 -1.631760244e+02 0.04 -1.461371508e+02 0.06 -1.314713442e+02 0.08 -1.187340624e+02 0.10 -1.075813032e+02 0.12 -9.774533791e+01 0.14 -8.901636359e+01 0.16 -8.122863837e+01 0.18 -7.425000891e+01 0.20 -6.797400227e+01 0.22 -6.231385489e+01 0.24 -5.719800279e+01 0.26 -5.256667445e+01 0.28 -4.836931483e+01 0.30 -4.456263496e+01 0.32 -4.110913240e+01 0.34 -3.797596516e+01 0.36 -3.513409214e+01 0.38 -3.255761358e+01 0.40 -3.022326196e+01 0.42 -2.811000587e+01 0.44 -2.619873876e+01 0.46 -2.447203209e+01 0.48 -2.291393693e+01 0.50 -2.150982250e+01 0.52 -2.024624244e+01 0.54 -1.911082268e+01 0.56 -1.809216591e+01 0.58 -1.717976910e+01 0.60 -1.636395125e+01 0.62 -1.563578913e+01 0.64 -1.498705978e+01 0.66 -1.441018852e+01 0.68 -1.389820160e+01 0.70 -1.344468273e+01 0.72 -1.304373294e+01 0.74 -1.268993354e+01 0.76 -1.237831170e+01 0.78 -1.210430859e+01 0.80 -1.186374951e+01 0.82 -1.165281611e+01 0.84 -1.146802050e+01 0.86 -1.130618109e+01 0.88 -1.116440004e+01 0.90 -1.104004214e+01 0.92 -1.093071514e+01 0.94 -1.083425138e+01 0.96 -1.074869073e+01 0.98 -1.067226454e+01 1.00 -1.060338076e+01 1.02 -1.054061007e+01 1.04 -1.048267290e+01 1.06 -1.042842747e+01 1.08 -1.037685855e+01 1.10 -1.032706699e+01 1.12 -1.027826006e+01 1.14 -1.022974249e+01 1.16 -1.018090805e+01 1.18 -1.013123183e+01 1.20 -1.008026302e+01 1.22 -1.002761825e+01 1.24 -9.972975413e+00 1.26 -9.916067950e+00 1.28 -9.856679553e+00 1.30 -9.794639274e+00 1.32 -9.729817013e+00 1.34 -9.662119358e+00 1.36 -9.591485738e+00 1.38 -9.517884874e+00 1.40 -9.441311528e+00 1.42 -9.361783512e+00 1.44 -9.279338936e+00 1.46 -9.194033682e+00 1.48 -9.105939087e+00 1.50 -9.015139831e+00 1.52 -8.921732008e+00 1.54 -8.825821358e+00 1.56 -8.727521652e+00 1.58 -8.626953236e+00 1.60 -8.524241701e+00 1.62 -8.419516683e+00 1.64 -8.312910772e+00 1.66 -8.204558526e+00 1.68 -8.094595594e+00 1.70 -7.983157919e+00 1.72 -7.870381036e+00 1.74 -7.756399432e+00 1.76 -7.641345984e+00 1.78 -7.525351470e+00 1.80 -7.408544129e+00 1.82 -7.291049276e+00 1.84 -7.172988975e+00 1.86 -7.054481747e+00 1.88 -6.935642331e+00 1.90 -6.816581474e+00 1.92 -6.697405760e+00 1.94 -6.578217464e+00 1.96 -6.459114445e+00 1.98 -6.340190054e+00 2.00 -6.221533070e+00 2.02 -6.103227655e+00 2.04 -5.985353325e+00 2.06 -5.867984940e+00 2.08 -5.751192707e+00 2.10 -5.635042195e+00 2.12 -5.519594358e+00 2.14 -5.404905571e+00 2.16 -5.291027670e+00 2.18 -5.178008000e+00 2.20 -5.065889470e+00 2.22 -4.954710603e+00 2.24 -4.844505599e+00 2.26 -4.735304394e+00 2.28 -4.627132720e+00 2.30 -4.520012168e+00 2.32 -4.413960243e+00 2.34 -4.308990428e+00 2.36 -4.205112238e+00 2.38 -4.102331279e+00 2.40 -4.000649296e+00 2.42 -3.900064227e+00 2.44 -3.800570260e+00 2.46 -3.702157876e+00 2.48 -3.604813909e+00 2.50 -3.508521606e+00 2.52 -3.413260692e+00 2.54 -3.319007452e+00 2.56 -3.225734837e+00 2.58 -3.133412591e+00 2.60 -3.042007428e+00 2.62 -2.951483255e+00 2.64 -2.861801483e+00 2.66 -2.772921423e+00 2.68 -2.684800828e+00 2.70 -2.597396588e+00 2.72 -2.510665657e+00 2.74 -2.424566241e+00 2.76 -2.339059330e+00 2.78 -2.254110644e+00 2.80 -2.169693084e+00 2.82 -2.085789763e+00 2.84 -2.002397708e+00 2.86 -1.919532282e+00 2.88 -1.837232359e+00 2.90 -1.755566172e+00 2.92 -1.674637677e+00 2.94 -1.594593081e+00 2.96 -1.515626977e+00 2.98 -1.437987258e+00 3.00 -1.361977707e+00 3.02 -1.287956926e+00 3.04 -1.216332159e+00 3.06 -1.147546732e+00 3.08 -1.082060317e+00 3.10 -1.020322199e+00 3.12 -9.627390469e-01 3.14 -9.096401906e-01 3.16 -8.612447664e-01 3.18 -8.176357644e-01 3.20 -7.787456974e-01 3.22 -7.443571182e-01 3.24 -7.141187960e-01 3.26 -6.875755793e-01 3.28 -6.642075431e-01 3.30 -6.434725556e-01 3.32 -6.248462110e-01 3.34 -6.078541019e-01 3.36 -5.920932803e-01 3.38 -5.772419719e-01 3.40 -5.630586691e-01 3.42 -5.493732276e-01 3.44 -5.360733183e-01 3.46 -5.230895075e-01 3.48 -5.103815273e-01 3.50 -4.979272472e-01 3.52 -4.857148174e-01 3.54 -4.737376782e-01 3.56 -4.619917301e-01 3.58 -4.504739078e-01 3.60 -4.391815401e-01 3.62 -4.281120958e-01 3.64 -4.172630913e-01 3.66 -4.066320592e-01 3.68 -3.962165355e-01 3.70 -3.860140529e-01 3.72 -3.748198282e-01 3.74 -3.477269159e-01 3.76 -2.702042759e-01 3.78 -1.210538263e-01 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 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