# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1987--Ackland-G-J-Thetford-R--Mo # implementation = 1987--Ackland-G-J--Mo--LAMMPS--ipr2 # 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 4.311910602e+02 0.04 4.192467565e+02 0.06 4.075478328e+02 0.08 3.960909177e+02 0.10 3.848726621e+02 0.12 3.738897418e+02 0.14 3.631388552e+02 0.16 3.526167239e+02 0.18 3.423200936e+02 0.20 3.322457324e+02 0.22 3.223904325e+02 0.24 3.127510092e+02 0.26 3.033243008e+02 0.28 2.941071697e+02 0.30 2.850965010e+02 0.32 2.762892033e+02 0.34 2.676822088e+02 0.36 2.592724727e+02 0.38 2.510569737e+02 0.40 2.430327141e+02 0.42 2.351967190e+02 0.44 2.275460374e+02 0.46 2.200777413e+02 0.48 2.127889261e+02 0.50 2.056767108e+02 0.52 1.987382374e+02 0.54 1.919706714e+02 0.56 1.853712018e+02 0.58 1.789370406e+02 0.60 1.726654235e+02 0.62 1.665536093e+02 0.64 1.605988803e+02 0.66 1.547985422e+02 0.68 1.491499237e+02 0.70 1.436503773e+02 0.72 1.382972786e+02 0.74 1.330880266e+02 0.76 1.280200435e+02 0.78 1.230907752e+02 0.80 1.182976906e+02 0.82 1.136382822e+02 0.84 1.091100656e+02 0.86 1.047105800e+02 0.88 1.004373878e+02 0.90 9.628807468e+01 0.92 9.226024993e+01 0.94 8.835154595e+01 0.96 8.455961858e+01 0.98 8.088214703e+01 1.00 7.731683378e+01 1.02 7.386140473e+01 1.04 7.051360911e+01 1.06 6.727121948e+01 1.08 6.413203178e+01 1.10 6.109386526e+01 1.12 5.815456255e+01 1.14 5.531198964e+01 1.16 5.256403581e+01 1.18 4.990861375e+01 1.20 4.734365948e+01 1.22 4.486713234e+01 1.24 4.247701508e+01 1.26 4.017131373e+01 1.28 3.794805772e+01 1.30 3.580529980e+01 1.32 3.374111608e+01 1.34 3.175360602e+01 1.36 2.984089244e+01 1.38 2.800112146e+01 1.40 2.623246262e+01 1.42 2.453310876e+01 1.44 2.290127607e+01 1.46 2.133520412e+01 1.48 1.983315579e+01 1.50 1.839341735e+01 1.52 1.701429838e+01 1.54 1.569413183e+01 1.56 1.443127400e+01 1.58 1.322410453e+01 1.60 1.207102641e+01 1.62 1.097046599e+01 1.64 9.920872951e+00 1.66 8.920720335e+00 1.68 7.968504530e+00 1.70 7.062745268e+00 1.72 6.201985644e+00 1.74 5.384792084e+00 1.76 4.609754372e+00 1.78 3.875485647e+00 1.80 3.180622380e+00 1.82 2.523824408e+00 1.84 1.903774907e+00 1.86 1.319180402e+00 1.88 7.687707742e-01 1.90 2.512992425e-01 1.92 -2.344576184e-01 1.94 -6.896998820e-01 1.96 -1.115604282e+00 1.98 -1.513324193e+00 2.00 -1.883989646e+00 2.02 -2.228707326e+00 2.04 -2.548560564e+00 2.06 -2.844609352e+00 2.08 -3.117890320e+00 2.10 -3.369416751e+00 2.12 -3.600178584e+00 2.14 -3.811142408e+00 2.16 -4.003251473e+00 2.18 -4.177425667e+00 2.20 -4.334561522e+00 2.22 -4.475532233e+00 2.24 -4.601187656e+00 2.26 -4.712354291e+00 2.28 -4.809835270e+00 2.30 -4.894410385e+00 2.32 -4.966836111e+00 2.34 -5.027845545e+00 2.36 -5.078148412e+00 2.38 -5.118431129e+00 2.40 -5.149356783e+00 2.42 -5.171565033e+00 2.44 -5.185672234e+00 2.46 -5.192271454e+00 2.48 -5.191932292e+00 2.50 -5.185201051e+00 2.52 -5.172600775e+00 2.54 -5.154630980e+00 2.56 -5.131767962e+00 2.58 -5.104464700e+00 2.60 -5.073150625e+00 2.62 -5.038232100e+00 2.64 -5.000091909e+00 2.66 -4.959089537e+00 2.68 -4.915561316e+00 2.70 -4.869819814e+00 2.72 -4.822154804e+00 2.74 -4.772832127e+00 2.76 -4.722094768e+00 2.78 -4.670162044e+00 2.80 -4.617230031e+00 2.82 -4.563471570e+00 2.84 -4.509035824e+00 2.86 -4.454049143e+00 2.88 -4.398613801e+00 2.90 -4.342809613e+00 2.92 -4.286692036e+00 2.94 -4.230294238e+00 2.96 -4.173625037e+00 2.98 -4.116670678e+00 3.00 -4.059393728e+00 3.02 -4.001732980e+00 3.04 -3.943605428e+00 3.06 -3.884901782e+00 3.08 -3.825493758e+00 3.10 -3.765224416e+00 3.12 -3.703918516e+00 3.14 -3.641374321e+00 3.16 -3.577366101e+00 3.18 -3.511650705e+00 3.20 -3.443951575e+00 3.22 -3.373977920e+00 3.24 -3.301414886e+00 3.26 -3.226304265e+00 3.28 -3.150824575e+00 3.30 -3.075342275e+00 3.32 -2.999852692e+00 3.34 -2.924369781e+00 3.36 -2.848890343e+00 3.38 -2.773396687e+00 3.40 -2.697908431e+00 3.42 -2.622440832e+00 3.44 -2.546941484e+00 3.46 -2.471433249e+00 3.48 -2.395968786e+00 3.50 -2.320498885e+00 3.52 -2.244927690e+00 3.54 -2.169367817e+00 3.56 -2.093951957e+00 3.58 -2.018078133e+00 3.60 -1.940318063e+00 3.62 -1.862619925e+00 3.64 -1.786808777e+00 3.66 -1.714342831e+00 3.68 -1.647192197e+00 3.70 -1.585575394e+00 3.72 -1.523090687e+00 3.74 -1.454643859e+00 3.76 -1.376785398e+00 3.78 -1.287498800e+00 3.80 -1.185991601e+00 3.82 -1.071967757e+00 3.84 -9.502484576e-01 3.86 -8.267050000e-01 3.88 -7.058194310e-01 3.90 -5.908978407e-01 3.92 -4.842675486e-01 3.94 -3.874581816e-01 3.96 -3.013666429e-01 3.98 -2.264059736e-01 4.00 -1.626381049e-01 4.02 -1.098905026e-01 4.04 -6.785670348e-02 4.06 -3.618074260e-02 4.08 -1.452547294e-02 4.10 -2.623866273e-03 4.12 3.045264100e-05 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