# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr # implementation = 2025--Sharifi-H--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 2025-07-01 r Cr Cr 0.02 6.540873203e+02 0.04 2.974270961e+02 0.06 1.817366538e+02 0.08 1.255085055e+02 0.10 9.282445045e+01 0.12 7.175739755e+01 0.14 5.722441042e+01 0.16 4.670291143e+01 0.18 3.880451606e+01 0.20 3.270530857e+01 0.22 2.788735627e+01 0.24 2.400993348e+01 0.26 2.084044988e+01 0.28 1.821516468e+01 0.30 1.601577310e+01 0.32 1.415486872e+01 0.34 1.256660780e+01 0.36 1.120054293e+01 0.38 1.001743918e+01 0.40 8.986373767e+00 0.42 8.082685975e+00 0.44 7.286499636e+00 0.46 6.581642675e+00 0.48 5.954845050e+00 0.50 5.395134479e+00 0.52 4.893376521e+00 0.54 4.441920000e+00 0.56 4.034320609e+00 0.58 3.665123775e+00 0.60 3.329692099e+00 0.62 3.024067164e+00 0.64 2.744858108e+00 0.66 2.489150853e+00 0.68 2.254433789e+00 0.70 2.038536539e+00 0.72 1.839579037e+00 0.74 1.655929091e+00 0.76 1.486166743e+00 0.78 1.329054155e+00 0.80 1.183510127e+00 0.82 1.048588357e+00 0.84 9.234588482e-01 0.86 8.073919681e-01 0.88 6.997446877e-01 0.90 5.999487002e-01 0.92 5.075001336e-01 0.94 4.219505962e-01 0.96 3.428993955e-01 0.98 2.699867544e-01 1.00 2.028878801e-01 1.02 1.413077949e-01 1.04 8.497681174e-02 1.06 3.603504935e-02 1.08 8.954065071e-02 1.10 2.495766069e-01 1.12 4.637947808e-01 1.14 6.957144645e-01 1.16 9.206616895e-01 1.18 1.122801048e+00 1.20 1.292822975e+00 1.22 1.426151944e+00 1.24 1.521570680e+00 1.26 1.580170272e+00 1.28 1.604552585e+00 1.30 1.598235746e+00 1.32 1.565216795e+00 1.34 1.509656407e+00 1.36 1.435657341e+00 1.38 1.347114597e+00 1.40 1.247619742e+00 1.42 1.140404641e+00 1.44 1.028310808e+00 1.46 9.137902971e-01 1.48 7.989196848e-01 1.50 6.854210409e-01 1.52 5.746890450e-01 1.54 4.678216929e-01 1.56 3.656524822e-01 1.58 2.687826353e-01 1.60 1.776124476e-01 1.62 9.237096793e-02 1.64 1.314551209e-02 1.66 -6.008779955e-02 1.68 -1.274486061e-01 1.70 -1.891338778e-01 1.72 -2.453993303e-01 1.74 -2.965431204e-01 1.76 -3.428916752e-01 1.78 -3.847875424e-01 1.80 -4.225791055e-01 1.82 -4.566120088e-01 1.84 -4.872221490e-01 1.86 -5.147300807e-01 1.88 -5.394368620e-01 1.90 -5.616255060e-01 1.92 -5.815580806e-01 1.94 -5.994682287e-01 1.96 -6.155606982e-01 1.98 -6.300118584e-01 2.00 -6.429707218e-01 2.02 -6.545603692e-01 2.04 -6.648803042e-01 2.06 -6.740121939e-01 2.08 -6.820245590e-01 2.10 -6.889752681e-01 2.12 -6.949137513e-01 2.14 -6.998830095e-01 2.16 -7.039213940e-01 2.18 -7.070626140e-01 2.20 -7.093324765e-01 2.22 -7.107559744e-01 2.24 -7.113598625e-01 2.26 -7.111729050e-01 2.28 -7.102259366e-01 2.30 -7.085517642e-01 2.32 -7.061849388e-01 2.34 -7.031614307e-01 2.36 -6.995182407e-01 2.38 -6.952929821e-01 2.40 -6.905234599e-01 2.42 -6.852472729e-01 2.44 -6.795014575e-01 2.46 -6.733221834e-01 2.48 -6.667445099e-01 2.50 -6.598022274e-01 2.52 -6.525305275e-01 2.54 -6.449677869e-01 2.56 -6.371499223e-01 2.58 -6.291098966e-01 2.60 -6.208779224e-01 2.62 -6.124816643e-01 2.64 -6.039464355e-01 2.66 -5.952953852e-01 2.68 -5.865496741e-01 2.70 -5.777286385e-01 2.72 -5.688499423e-01 2.74 -5.599297156e-01 2.76 -5.509826833e-01 2.78 -5.420222821e-01 2.80 -5.330607676e-01 2.82 -5.241093128e-01 2.84 -5.151780975e-01 2.86 -5.062763906e-01 2.88 -4.974126251e-01 2.90 -4.885944668e-01 2.92 -4.798288771e-01 2.94 -4.711221704e-01 2.96 -4.624800668e-01 2.98 -4.539077402e-01 3.00 -4.454098621e-01 3.02 -4.369906423e-01 3.04 -4.286538655e-01 3.06 -4.204029250e-01 3.08 -4.122408540e-01 3.10 -4.041703538e-01 3.12 -3.961938197e-01 3.14 -3.883133648e-01 3.16 -3.805308422e-01 3.18 -3.728478646e-01 3.20 -3.652658231e-01 3.22 -3.577859038e-01 3.24 -3.504091037e-01 3.26 -3.431362447e-01 3.28 -3.359679868e-01 3.30 -3.289048402e-01 3.32 -3.219471767e-01 3.34 -3.150952396e-01 3.36 -3.083491535e-01 3.38 -3.017089329e-01 3.40 -2.951744903e-01 3.42 -2.887456438e-01 3.44 -2.824221239e-01 3.46 -2.762035800e-01 3.48 -2.700895865e-01 3.50 -2.640796482e-01 3.52 -2.581732051e-01 3.54 -2.523696381e-01 3.56 -2.466682725e-01 3.58 -2.410683828e-01 3.60 -2.355691962e-01 3.62 -2.301698966e-01 3.64 -2.248696276e-01 3.66 -2.196674961e-01 3.68 -2.145625748e-01 3.70 -2.095539057e-01 3.72 -2.046405019e-01 3.74 -1.998213507e-01 3.76 -1.950954157e-01 3.78 -1.904616390e-01 3.80 -1.859189432e-01 3.82 -1.814662337e-01 3.84 -1.771024001e-01 3.86 -1.728263181e-01 3.88 -1.686368514e-01 3.90 -1.645328529e-01 3.92 -1.605131664e-01 3.94 -1.565766279e-01 3.96 -1.527220669e-01 3.98 -1.489483078e-01 4.00 -1.452541712e-01 4.02 -1.416384744e-01 4.04 -1.381000333e-01 4.06 -1.346376629e-01 4.08 -1.312501784e-01 4.10 -1.279363961e-01 4.12 -1.246951342e-01 4.14 -1.215252138e-01 4.16 -1.184254596e-01 4.18 -1.153947005e-01 4.20 -1.124317705e-01 4.22 -1.095355090e-01 4.24 -1.067047621e-01 4.26 -1.039383824e-01 4.28 -1.012352301e-01 4.30 -9.859417318e-02 4.32 -9.601408819e-02 4.34 -9.349386047e-02 4.36 -9.103238469e-02 4.38 -8.862856522e-02 4.40 -8.628131650e-02 4.42 -8.398956343e-02 4.44 -8.175224163e-02 4.46 -7.956829782e-02 4.48 -7.743669001e-02 4.50 -7.535638784e-02 4.52 -7.332637276e-02 4.54 -7.134563827e-02 4.56 -6.941319010e-02 4.58 -6.752804641e-02 4.60 -6.568923793e-02 4.62 -6.389580809e-02 4.64 -6.214681319e-02 4.66 -6.044132247e-02 4.68 -5.877841819e-02 4.70 -5.715719576e-02 4.72 -5.557676378e-02 4.74 -5.403624406e-02 4.76 -5.253477171e-02 4.78 -5.107149513e-02 4.80 -4.964557605e-02 4.82 -4.825618949e-02 4.84 -4.690252381e-02 4.86 -4.558378065e-02 4.88 -4.429917491e-02 4.90 -4.304793472e-02 4.92 -4.169555471e-02 4.94 -3.858826734e-02 4.96 -2.991511329e-02 4.98 -1.337180395e-02 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