# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2018--Howells-C-A-Mishin-Y--Cr # implementation = 2018--Howells-C-A--Cr--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 Cr Cr 0.02 9.053394675e+01 0.04 9.133574745e+01 0.06 9.205270195e+01 0.08 9.268008596e+01 0.10 9.318036193e+01 0.12 9.352030952e+01 0.14 9.378031547e+01 0.16 9.405137772e+01 0.18 9.421370712e+01 0.20 9.425150491e+01 0.22 9.414126476e+01 0.24 9.385642864e+01 0.26 9.340889083e+01 0.28 9.286255973e+01 0.30 9.224143529e+01 0.32 9.151515063e+01 0.34 9.068505487e+01 0.36 8.975454412e+01 0.38 8.872690450e+01 0.40 8.760530447e+01 0.42 8.639282262e+01 0.44 8.509247460e+01 0.46 8.370723558e+01 0.48 8.224005844e+01 0.50 8.069388914e+01 0.52 7.907167840e+01 0.54 7.737639159e+01 0.56 7.561101709e+01 0.58 7.377857301e+01 0.60 7.188211300e+01 0.62 6.992473154e+01 0.64 6.790956940e+01 0.66 6.583981939e+01 0.68 6.371873337e+01 0.70 6.154963052e+01 0.72 5.933590597e+01 0.74 5.708103921e+01 0.76 5.478860530e+01 0.78 5.246227898e+01 0.80 5.010584139e+01 0.82 4.772317816e+01 0.84 4.531827758e+01 0.86 4.289522203e+01 0.88 4.045817699e+01 0.90 3.801137824e+01 0.92 3.555911992e+01 0.94 3.310574674e+01 0.96 3.065562671e+01 0.98 2.821313136e+01 1.00 2.578262028e+01 1.02 2.346821934e+01 1.04 2.137663957e+01 1.06 1.948309007e+01 1.08 1.776570945e+01 1.10 1.620540986e+01 1.12 1.478548107e+01 1.14 1.349125703e+01 1.16 1.230983417e+01 1.18 1.122983266e+01 1.20 1.024119352e+01 1.22 9.335005658e+00 1.24 8.503358156e+00 1.26 7.739213560e+00 1.28 7.036299083e+00 1.30 6.389012852e+00 1.32 5.792342944e+00 1.34 5.241797283e+00 1.36 4.733342817e+00 1.38 4.263352603e+00 1.40 3.828559684e+00 1.42 3.426016797e+00 1.44 3.053061085e+00 1.46 2.707283161e+00 1.48 2.386499896e+00 1.50 2.088730471e+00 1.52 1.812175242e+00 1.54 1.555197057e+00 1.56 1.316304719e+00 1.58 1.094138319e+00 1.60 8.874562109e-01 1.62 6.951234084e-01 1.64 5.161012700e-01 1.66 3.494382697e-01 1.68 1.942617648e-01 1.70 4.977061983e-02 1.72 -8.477139985e-02 1.74 -2.100415565e-01 1.76 -3.266634714e-01 1.78 -4.352119167e-01 1.80 -5.362171346e-01 1.82 -6.301687350e-01 1.84 -7.175192094e-01 1.86 -7.986871145e-01 1.88 -8.740599494e-01 1.90 -9.439967638e-01 1.92 -1.008830525e+00 1.94 -1.068870264e+00 1.96 -1.124403032e+00 1.98 -1.175695675e+00 2.00 -1.222996457e+00 2.02 -1.266536530e+00 2.04 -1.306531289e+00 2.06 -1.343181597e+00 2.08 -1.376674915e+00 2.10 -1.407186331e+00 2.12 -1.434879501e+00 2.14 -1.459907520e+00 2.16 -1.482413716e+00 2.18 -1.502532382e+00 2.20 -1.520389442e+00 2.22 -1.536103071e+00 2.24 -1.549784264e+00 2.26 -1.561537365e+00 2.28 -1.571460562e+00 2.30 -1.579646322e+00 2.32 -1.586181803e+00 2.34 -1.591149232e+00 2.36 -1.594626265e+00 2.38 -1.596686317e+00 2.40 -1.597398858e+00 2.42 -1.596829692e+00 2.44 -1.595041210e+00 2.46 -1.592092650e+00 2.48 -1.588040331e+00 2.50 -1.582937829e+00 2.52 -1.576836184e+00 2.54 -1.569784140e+00 2.56 -1.561828315e+00 2.58 -1.553013306e+00 2.60 -1.543381828e+00 2.62 -1.532974882e+00 2.64 -1.521831864e+00 2.66 -1.509990658e+00 2.68 -1.497487766e+00 2.70 -1.484358454e+00 2.72 -1.470636756e+00 2.74 -1.456355699e+00 2.76 -1.441547541e+00 2.78 -1.426243630e+00 2.80 -1.410474474e+00 2.82 -1.394269855e+00 2.84 -1.377658854e+00 2.86 -1.360669930e+00 2.88 -1.343331008e+00 2.90 -1.325669431e+00 2.92 -1.307712612e+00 2.94 -1.289487810e+00 2.96 -1.271021897e+00 2.98 -1.252341541e+00 3.00 -1.233473289e+00 3.02 -1.214443592e+00 3.04 -1.195278636e+00 3.06 -1.176005041e+00 3.08 -1.156650123e+00 3.10 -1.137241107e+00 3.12 -1.117805364e+00 3.14 -1.098370877e+00 3.16 -1.078965759e+00 3.18 -1.059618112e+00 3.20 -1.040356916e+00 3.22 -1.021211478e+00 3.24 -1.002210988e+00 3.26 -9.833851558e-01 3.28 -9.647638720e-01 3.30 -9.463766493e-01 3.32 -9.282523428e-01 3.34 -9.104189356e-01 3.36 -8.929035807e-01 3.38 -8.757314766e-01 3.40 -8.589255236e-01 3.42 -8.425072500e-01 3.44 -8.264938085e-01 3.46 -8.108973623e-01 3.48 -7.957283005e-01 3.50 -7.809898638e-01 3.52 -7.666769020e-01 3.54 -7.527826172e-01 3.56 -7.392906995e-01 3.58 -7.261715466e-01 3.60 -7.133949407e-01 3.62 -7.009228210e-01 3.64 -6.886994142e-01 3.66 -6.766677701e-01 3.68 -6.647711558e-01 3.70 -6.529147987e-01 3.72 -6.410050148e-01 3.74 -6.289596941e-01 3.76 -6.166946340e-01 3.78 -6.041240847e-01 3.80 -5.911832340e-01 3.82 -5.778262732e-01 3.84 -5.640142822e-01 3.86 -5.497253834e-01 3.88 -5.349992870e-01 3.90 -5.198190689e-01 3.92 -5.044455134e-01 3.94 -4.893809676e-01 3.96 -4.747083201e-01 3.98 -4.607184360e-01 4.00 -4.476166950e-01 4.02 -4.346066064e-01 4.04 -4.206532576e-01 4.06 -4.054347980e-01 4.08 -3.886480572e-01 4.10 -3.698686884e-01 4.12 -3.490352202e-01 4.14 -3.269081269e-01 4.16 -3.042946645e-01 4.18 -2.818182778e-01 4.20 -2.597204958e-01 4.22 -2.383143838e-01 4.24 -2.179116729e-01 4.26 -1.987305270e-01 4.28 -1.809020895e-01 4.30 -1.644071900e-01 4.32 -1.491790314e-01 4.34 -1.351578050e-01 4.36 -1.222880152e-01 4.38 -1.105177268e-01 4.40 -9.979788500e-02 4.42 -9.008388540e-02 4.44 -8.134290780e-02 4.46 -7.352834868e-02 4.48 -6.659228995e-02 4.50 -6.048769156e-02 4.52 -5.516759984e-02 4.54 -5.058434745e-02 4.56 -4.668873833e-02 4.58 -4.342922138e-02 4.60 -4.075106639e-02 4.62 -3.859556953e-02 4.64 -3.689933176e-02 4.66 -3.559367246e-02 4.68 -3.460426175e-02 4.70 -3.385107807e-02 4.72 -3.324881989e-02 4.74 -3.270792067e-02 4.76 -3.213632855e-02 4.78 -3.144221216e-02 4.80 -3.053773176e-02 4.82 -2.934396067e-02 4.84 -2.779694202e-02 4.86 -2.585470426e-02 4.88 -2.350482136e-02 4.90 -2.077177614e-02 4.92 -1.772296628e-02 4.94 -1.447170018e-02 4.96 -1.117502499e-02 4.98 -8.023849426e-03 5.00 -5.222838391e-03 5.02 -2.958450078e-03 5.04 -1.356087719e-03 5.06 -4.330041561e-04 5.08 -6.450229409e-05 5.10 -5.533912022e-07 5.12 1.228807044e-21 5.14 -1.217311357e-35 5.16 -4.654431401e-49 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