# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Mo # implementation = 2004--Zhou-X-W--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 1.572817490e+04 0.04 7.864202429e+03 0.06 5.242878271e+03 0.08 3.932216192e+03 0.10 3.145818945e+03 0.12 2.621554113e+03 0.14 2.247079234e+03 0.16 1.966223074e+03 0.18 1.747779394e+03 0.20 1.573024450e+03 0.22 1.430043132e+03 0.24 1.310892034e+03 0.26 1.210071874e+03 0.28 1.123654595e+03 0.30 1.048759619e+03 0.32 9.832265146e+02 0.34 9.254031876e+02 0.36 8.740046747e+02 0.38 8.280165316e+02 0.40 7.866272028e+02 0.42 7.491797148e+02 0.44 7.151365440e+02 0.46 6.840536488e+02 0.48 6.555609949e+02 0.50 6.291632551e+02 0.52 5.900923507e+02 0.54 5.532138266e+02 0.56 5.185692294e+02 0.58 4.860245006e+02 0.60 4.554539065e+02 0.62 4.267390445e+02 0.64 3.997684420e+02 0.66 3.744373385e+02 0.68 3.506471800e+02 0.70 3.283056716e+02 0.72 3.073257729e+02 0.74 2.876256067e+02 0.76 2.691283518e+02 0.78 2.517614495e+02 0.80 2.354571385e+02 0.82 2.201513986e+02 0.84 2.057841523e+02 0.86 1.922989179e+02 0.88 1.796424005e+02 0.90 1.677648600e+02 0.92 1.566193235e+02 0.94 1.461616790e+02 0.96 1.363504009e+02 0.98 1.271464542e+02 1.00 1.185131352e+02 1.02 1.104159373e+02 1.04 1.028225851e+02 1.06 9.570246480e+01 1.08 8.902704471e+01 1.10 8.276938233e+01 1.12 7.690413619e+01 1.14 7.140754442e+01 1.16 6.625723119e+01 1.18 6.143218390e+01 1.20 5.691264692e+01 1.22 5.268089360e+01 1.24 4.871905809e+01 1.26 4.501009222e+01 1.28 4.153801516e+01 1.30 3.828779599e+01 1.32 3.524544008e+01 1.34 3.239779973e+01 1.36 2.973257764e+01 1.38 2.723825123e+01 1.40 2.490431842e+01 1.42 2.272188424e+01 1.44 2.068254543e+01 1.46 1.877834324e+01 1.48 1.700163632e+01 1.50 1.534514637e+01 1.52 1.380198139e+01 1.54 1.236551508e+01 1.56 1.102950986e+01 1.58 9.787988582e+00 1.60 8.635333494e+00 1.62 7.566167167e+00 1.64 6.575415136e+00 1.66 5.658272855e+00 1.68 4.810166790e+00 1.70 4.026814164e+00 1.72 3.304134481e+00 1.74 2.638280005e+00 1.76 2.025614704e+00 1.78 1.462715279e+00 1.80 9.463418768e-01 1.82 4.734518565e-01 1.84 4.116736283e-02 1.86 -3.532211596e-01 1.88 -7.122578284e-01 1.90 -1.038339891e+00 1.92 -1.333722009e+00 1.94 -1.600529598e+00 1.96 -1.840746618e+00 1.98 -2.056256129e+00 2.00 -2.248804435e+00 2.02 -2.420047546e+00 2.04 -2.571530105e+00 2.06 -2.704704006e+00 2.08 -2.820930414e+00 2.10 -2.921481105e+00 2.12 -3.007548592e+00 2.14 -3.080255303e+00 2.16 -3.140640629e+00 2.18 -3.189686629e+00 2.20 -3.228308008e+00 2.22 -3.257355762e+00 2.24 -3.277631876e+00 2.26 -3.289881962e+00 2.28 -3.294800093e+00 2.30 -3.293036342e+00 2.32 -3.285198351e+00 2.34 -3.271848366e+00 2.36 -3.253517436e+00 2.38 -3.230690928e+00 2.40 -3.203828231e+00 2.42 -3.173354090e+00 2.44 -3.139664126e+00 2.46 -3.103124136e+00 2.48 -3.064077782e+00 2.50 -3.022841896e+00 2.52 -2.979708953e+00 2.54 -2.934953237e+00 2.56 -2.888825017e+00 2.58 -2.841559760e+00 2.60 -2.793370078e+00 2.62 -2.744453185e+00 2.64 -2.694992016e+00 2.66 -2.645145378e+00 2.68 -2.595065682e+00 2.70 -2.544884990e+00 2.72 -2.494718610e+00 2.74 -2.444667070e+00 2.76 -2.394814959e+00 2.78 -2.345230072e+00 2.80 -2.295960201e+00 2.82 -2.247038792e+00 2.84 -2.198478614e+00 2.86 -2.150271760e+00 2.88 -2.102387961e+00 2.90 -2.054783731e+00 2.92 -2.007387365e+00 2.94 -1.960113980e+00 2.96 -1.912859728e+00 2.98 -1.865502613e+00 3.00 -1.817915690e+00 3.02 -1.769959461e+00 3.04 -1.721494804e+00 3.06 -1.672383487e+00 3.08 -1.622493954e+00 3.10 -1.571709897e+00 3.12 -1.519926959e+00 3.14 -1.467061956e+00 3.16 -1.413057600e+00 3.18 -1.357880740e+00 3.20 -1.301530469e+00 3.22 -1.244037243e+00 3.24 -1.185467807e+00 3.26 -1.125932557e+00 3.28 -1.065580090e+00 3.30 -1.004608441e+00 3.32 -9.432633426e-01 3.34 -8.818337125e-01 3.36 -8.206503156e-01 3.38 -7.600849909e-01 3.40 -7.005322877e-01 3.42 -6.423930835e-01 3.44 -5.860730217e-01 3.46 -5.319527615e-01 3.48 -4.803760438e-01 3.50 -4.316367233e-01 3.52 -3.859669815e-01 3.54 -3.435278039e-01 3.56 -3.044079727e-01 3.58 -2.686286572e-01 3.60 -2.361470796e-01 3.62 -2.068635720e-01 3.64 -1.806322792e-01 3.66 -1.572749137e-01 3.68 -1.365883780e-01 3.70 -1.183561781e-01 3.72 -1.023575329e-01 3.74 -8.837308961e-02 3.76 -7.619087552e-02 3.78 -6.561026091e-02 3.80 -5.644277842e-02 3.82 -4.851677906e-02 3.84 -4.167787720e-02 3.86 -3.578659538e-02 3.88 -3.071854862e-02 3.90 -2.636356633e-02 3.92 -2.262443722e-02 3.94 -1.941614394e-02 3.96 -1.666471753e-02 3.98 -1.430588804e-02 4.00 -1.228396301e-02 4.02 -1.055105203e-02 4.04 -9.065782055e-03 4.06 -7.792615820e-03 4.08 -6.701124862e-03 4.10 -5.765140166e-03 4.12 -4.962259902e-03 4.14 -4.273341847e-03 4.16 -3.681988025e-03 4.18 -3.174160264e-03 4.20 -2.737873864e-03 4.22 -2.362880519e-03 4.24 -2.040402950e-03 4.26 -1.762959060e-03 4.28 -1.524131021e-03 4.30 -1.318433858e-03 4.32 -1.141171946e-03 4.34 -9.883416434e-04 4.36 -8.564988946e-04 4.38 -7.426934677e-04 4.40 -6.444073389e-04 4.42 -5.594771929e-04 4.44 -4.860442342e-04 4.46 -4.225153244e-04 4.48 -3.675273737e-04 4.50 -3.199033734e-04 4.52 -2.786334945e-04 4.54 -2.428511945e-04 4.56 -2.118092320e-04 4.58 -1.848641835e-04 4.60 -1.614633246e-04 4.62 -1.411291398e-04 4.64 -1.234496706e-04 4.66 -1.080704705e-04 4.68 -9.468508262e-05 4.70 -8.302868333e-05 4.72 -7.287249277e-05 4.74 -6.401921288e-05 4.76 -5.629731181e-05 4.78 -4.955891639e-05 4.80 -4.367570752e-05 4.82 -3.853660158e-05 4.84 -3.404511845e-05 4.86 -3.011782849e-05 4.88 -2.668211200e-05 4.90 -2.367495312e-05 4.92 -2.104164205e-05 4.94 -1.873461873e-05 4.96 -1.671245832e-05 4.98 -1.493909574e-05 5.00 -1.338332487e-05 5.02 -1.201774616e-05 5.04 -1.081853728e-05 5.06 -9.764969242e-06 5.08 -8.838958599e-06 5.10 -8.024657831e-06 5.12 -7.308303249e-06 5.14 -6.677837497e-06 5.16 -6.122715445e-06 5.18 -5.633700120e-06 5.20 -5.202767867e-06 5.22 -4.822846937e-06 5.24 -4.487750688e-06 5.26 -4.192079091e-06 5.28 -3.931081309e-06 5.30 -3.700594650e-06 5.32 -3.496970757e-06 5.34 -3.317009828e-06 5.36 -3.157894576e-06 5.38 -3.017157916e-06 5.40 -2.892626853e-06 5.42 -2.782392550e-06 5.44 -2.684775378e-06 5.46 -2.598298952e-06 5.48 -2.521665185e-06 5.50 -2.453723817e-06 5.52 -2.393469211e-06 5.54 -2.340011931e-06 5.56 -2.292567234e-06 5.58 -2.250442158e-06 5.60 -2.213030084e-06 5.62 -2.179789773e-06 5.64 -2.150246067e-06 5.66 -2.123978385e-06 5.68 -2.100615375e-06 5.70 -2.079828136e-06 5.72 -2.061327548e-06 5.74 -2.044855897e-06 5.76 -2.030185693e-06 5.78 -2.017115531e-06 5.80 -2.005467055e-06 5.82 -1.995082292e-06 5.84 -1.985820639e-06 5.86 -1.977558739e-06 5.88 -1.970185832e-06 5.90 -1.963604192e-06 5.92 -1.957727287e-06 5.94 -1.952477785e-06 5.96 -1.947787110e-06 5.98 -1.943594773e-06 6.00 -1.939846579e-06 6.02 -1.936494401e-06 6.04 -1.933495499e-06 6.06 -1.930811975e-06 6.08 -1.928409804e-06 6.10 -1.926258956e-06 6.12 -1.907348633e-06 6.14 -1.907348633e-06 6.16 -1.907348633e-06 6.18 -1.907348633e-06 6.20 -1.907348633e-06 6.22 -1.907348633e-06 6.24 -1.907348633e-06 6.26 -1.907348633e-06 6.28 -1.907348633e-06 6.30 -1.907348633e-06 6.32 -1.907348633e-06 6.34 -1.907348633e-06 6.36 -1.907348633e-06 6.38 -1.907348633e-06 6.40 -1.907348633e-06 6.42 -1.907348633e-06 6.44 -1.907348633e-06 6.46 -1.907348633e-06 6.48 -1.907348633e-06 6.50 -1.907348633e-06 6.52 -1.907348633e-06 6.54 -1.907348633e-06 6.56 -1.907348633e-06 6.58 -1.907348633e-06 6.60 -1.907348633e-06 6.62 -1.907348633e-06 6.64 -1.907348633e-06 6.66 -1.907348633e-06 6.68 -1.907348633e-06 6.70 -1.907348633e-06 6.72 -1.907348633e-06 6.74 -1.907348633e-06 6.76 -1.907348633e-06 6.78 -1.907348633e-06 6.80 -1.907348633e-06 6.82 -1.907348633e-06 6.84 -1.907348633e-06 6.86 -1.907348633e-06 6.88 -1.907348633e-06 6.90 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