# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Mo # implementation = 2017--Kim-J-S--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 2.276616164e+03 0.04 2.160235914e+03 0.06 2.049347905e+03 0.08 1.943754070e+03 0.10 1.843249302e+03 0.12 1.747625753e+03 0.14 1.656675997e+03 0.16 1.570195320e+03 0.18 1.487983357e+03 0.20 1.409845221e+03 0.22 1.335592262e+03 0.24 1.265042534e+03 0.26 1.198021061e+03 0.28 1.134359941e+03 0.30 1.073898336e+03 0.32 1.016482386e+03 0.34 9.619650565e+02 0.36 9.102059551e+02 0.38 8.610711153e+02 0.40 8.144327675e+02 0.42 7.701691002e+02 0.44 7.281640185e+02 0.46 6.883069030e+02 0.48 6.504923722e+02 0.50 6.146200503e+02 0.52 5.805943417e+02 0.54 5.483242134e+02 0.56 5.177229851e+02 0.58 4.887081275e+02 0.60 4.612010692e+02 0.62 4.351270118e+02 0.64 4.104147533e+02 0.66 3.869965190e+02 0.68 3.648078001e+02 0.70 3.437872005e+02 0.72 3.238762892e+02 0.74 3.050194609e+02 0.76 2.871638024e+02 0.78 2.702589651e+02 0.80 2.542570437e+02 0.82 2.391124607e+02 0.84 2.247818558e+02 0.86 2.112239810e+02 0.88 1.983996001e+02 0.90 1.862713933e+02 0.92 1.748038661e+02 0.94 1.639632622e+02 0.96 1.537174810e+02 0.98 1.440359985e+02 1.00 1.348897919e+02 1.02 1.262512683e+02 1.04 1.180941960e+02 1.06 1.103936396e+02 1.08 1.031258973e+02 1.10 9.626844247e+01 1.12 8.979986680e+01 1.14 8.369982653e+01 1.16 7.794899129e+01 1.18 7.252899523e+01 1.20 6.742239051e+01 1.22 6.261260288e+01 1.24 5.808388952e+01 1.26 5.382129869e+01 1.28 4.981063141e+01 1.30 4.603840492e+01 1.32 4.249181781e+01 1.34 3.915871692e+01 1.36 3.602756569e+01 1.38 3.308741408e+01 1.40 3.032786991e+01 1.42 2.773907152e+01 1.44 2.531166182e+01 1.46 2.303676348e+01 1.48 2.090595535e+01 1.50 1.891125002e+01 1.52 1.704507243e+01 1.54 1.530023949e+01 1.56 1.366994071e+01 1.58 1.214771974e+01 1.60 1.072745679e+01 1.62 9.403351933e+00 1.64 8.169909137e+00 1.66 7.021921148e+00 1.68 5.954455051e+00 1.70 4.962838546e+00 1.72 4.042646875e+00 1.74 3.189690397e+00 1.76 2.400002744e+00 1.78 1.669829562e+00 1.80 9.956177861e-01 1.82 3.740054357e-01 1.84 -1.981881025e-01 1.86 -7.239713217e-01 1.88 -1.206189396e+00 1.90 -1.647532554e+00 1.92 -2.050544034e+00 1.94 -2.417627647e+00 1.96 -2.751054944e+00 1.98 -3.052972000e+00 2.00 -3.325405841e+00 2.02 -3.570270496e+00 2.04 -3.789372722e+00 2.06 -3.984417384e+00 2.08 -4.157012547e+00 2.10 -4.308674283e+00 2.12 -4.440831235e+00 2.14 -4.554828969e+00 2.16 -4.651934142e+00 2.18 -4.733338525e+00 2.20 -4.800162903e+00 2.22 -4.853460867e+00 2.24 -4.894222517e+00 2.26 -4.923378075e+00 2.28 -4.941801390e+00 2.30 -4.950313350e+00 2.32 -4.949685147e+00 2.34 -4.940641394e+00 2.36 -4.923863078e+00 2.38 -4.899990301e+00 2.40 -4.869624827e+00 2.42 -4.833332400e+00 2.44 -4.791644849e+00 2.46 -4.745061975e+00 2.48 -4.694053237e+00 2.50 -4.639059252e+00 2.52 -4.580493134e+00 2.54 -4.518741691e+00 2.56 -4.454166511e+00 2.58 -4.387104947e+00 2.60 -4.317871029e+00 2.62 -4.246756312e+00 2.64 -4.174030670e+00 2.66 -4.099943019e+00 2.68 -4.024721995e+00 2.70 -3.948576524e+00 2.72 -3.871696296e+00 2.74 -3.794252072e+00 2.76 -3.716395780e+00 2.78 -3.638260310e+00 2.80 -3.559958889e+00 2.82 -3.481583878e+00 2.84 -3.403204746e+00 2.86 -3.324864872e+00 2.88 -3.246576671e+00 2.90 -3.168314255e+00 2.92 -3.090002472e+00 2.94 -3.011500521e+00 2.96 -2.932577388e+00 2.98 -2.852874862e+00 3.00 -2.771851641e+00 3.02 -2.688698935e+00 3.04 -2.602214110e+00 3.06 -2.510616230e+00 3.08 -2.411292249e+00 3.10 -2.300493973e+00 3.12 -2.173108756e+00 3.14 -2.022879901e+00 3.16 -1.843886616e+00 3.18 -1.634309765e+00 3.20 -1.402088210e+00 3.22 -1.167922766e+00 3.24 -9.590249226e-01 3.26 -7.954735071e-01 3.28 -6.815344521e-01 3.30 -6.085648535e-01 3.32 -5.633671438e-01 3.34 -5.343677583e-01 3.36 -5.137464922e-01 3.38 -4.970765827e-01 3.40 -4.821909738e-01 3.42 -4.681613801e-01 3.44 -4.546377665e-01 3.46 -4.415020446e-01 3.48 -4.287160338e-01 3.50 -4.162651077e-01 3.52 -4.041405775e-01 3.54 -3.923350744e-01 3.56 -3.808415413e-01 3.58 -3.696530527e-01 3.60 -3.587627888e-01 3.62 -3.481640320e-01 3.64 -3.378501678e-01 3.66 -3.278146845e-01 3.68 -3.180511739e-01 3.70 -3.085533308e-01 3.72 -2.993149538e-01 3.74 -2.903299447e-01 3.76 -2.815923088e-01 3.78 -2.730961543e-01 3.80 -2.648356928e-01 3.82 -2.568052381e-01 3.84 -2.489992068e-01 3.86 -2.414121170e-01 3.88 -2.340385886e-01 3.90 -2.268733421e-01 3.92 -2.199111984e-01 3.94 -2.131470782e-01 3.96 -2.065760009e-01 3.98 -2.001930842e-01 4.00 -1.939935432e-01 4.02 -1.879726895e-01 4.04 -1.821259305e-01 4.06 -1.764487680e-01 4.08 -1.709367979e-01 4.10 -1.655857087e-01 4.12 -1.603912806e-01 4.14 -1.553493845e-01 4.16 -1.504559808e-01 4.18 -1.457071185e-01 4.20 -1.410989336e-01 4.22 -1.366276486e-01 4.24 -1.322895708e-01 4.26 -1.280810910e-01 4.28 -1.239986828e-01 4.30 -1.200389012e-01 4.32 -1.161983809e-01 4.34 -1.124738357e-01 4.36 -1.088620567e-01 4.38 -1.053599116e-01 4.40 -1.019643428e-01 4.42 -9.867236649e-02 4.44 -9.548107144e-02 4.46 -9.238761745e-02 4.48 -8.938923428e-02 4.50 -8.648322028e-02 4.52 -8.366694114e-02 4.54 -8.093782863e-02 4.56 -7.829337933e-02 4.58 -7.573115336e-02 4.60 -7.324877317e-02 4.62 -7.084392223e-02 4.64 -6.851434386e-02 4.66 -6.625783997e-02 4.68 -6.407226988e-02 4.70 -6.195554908e-02 4.72 -5.971410334e-02 4.74 -5.499301568e-02 4.76 -4.242421463e-02 4.78 -1.887077959e-02 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