# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Wang-J-Oh-S-H-Lee-B-J--Cu-Co # implementation = 2020--Wang-J--Cu-Co--LAMMPS--ipr1 # composition = Co2Cu # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 3.941248370e+02 0.76 3.689338670e+02 0.78 3.452823483e+02 0.80 3.230758819e+02 0.82 3.022260514e+02 0.84 2.826500391e+02 0.86 2.642702642e+02 0.88 2.470140415e+02 0.90 2.308132602e+02 0.92 2.156040829e+02 0.94 2.013266637e+02 0.96 1.879248839e+02 0.98 1.753461061e+02 1.00 1.635409441e+02 1.02 1.524630488e+02 1.04 1.420689085e+02 1.06 1.323176640e+02 1.08 1.231709350e+02 1.10 1.145926606e+02 1.12 1.065489494e+02 1.14 9.900794092e+01 1.16 9.193967694e+01 1.18 8.531598115e+01 1.20 7.911034777e+01 1.22 7.329783761e+01 1.24 6.785498134e+01 1.26 6.275968939e+01 1.28 5.799116795e+01 1.30 5.352984055e+01 1.32 4.935727488e+01 1.34 4.545611448e+01 1.36 4.181001481e+01 1.38 3.840358344e+01 1.40 3.522232409e+01 1.42 3.225258422e+01 1.44 2.948150582e+01 1.46 2.689697935e+01 1.48 2.448760041e+01 1.50 2.224262907e+01 1.52 2.015195173e+01 1.54 1.820604513e+01 1.56 1.639594256e+01 1.58 1.471320209e+01 1.60 1.314987657e+01 1.62 1.169848547e+01 1.64 1.035198824e+01 1.66 9.103759319e+00 1.68 7.947564462e+00 1.70 6.877538482e+00 1.72 5.888164232e+00 1.74 4.974252771e+00 1.76 4.130924662e+00 1.78 3.353592304e+00 1.80 2.637943265e+00 1.82 1.978964321e+00 1.84 1.363812612e+00 1.86 8.041573898e-01 1.88 2.977297791e-01 1.90 -1.649960156e-01 1.92 -5.869808990e-01 1.94 -9.710041574e-01 1.96 -1.319673957e+00 1.98 -1.635437260e+00 2.00 -1.920589183e+00 2.02 -2.177281839e+00 2.04 -2.407532684e+00 2.06 -2.613232393e+00 2.08 -2.796152304e+00 2.10 -2.957951433e+00 2.12 -3.100183105e+00 2.14 -3.224301205e+00 2.16 -3.331666080e+00 2.18 -3.423550108e+00 2.20 -3.501142944e+00 2.22 -3.565556483e+00 2.24 -3.617829522e+00 2.26 -3.658932173e+00 2.28 -3.689770014e+00 2.30 -3.711188004e+00 2.32 -3.723974172e+00 2.34 -3.728863101e+00 2.36 -3.726539196e+00 2.38 -3.717639779e+00 2.40 -3.702757994e+00 2.42 -3.682445543e+00 2.44 -3.657215269e+00 2.46 -3.627543579e+00 2.48 -3.593872735e+00 2.50 -3.556612996e+00 2.52 -3.516144649e+00 2.54 -3.472819908e+00 2.56 -3.426964706e+00 2.58 -3.378880375e+00 2.60 -3.328845236e+00 2.62 -3.277116080e+00 2.64 -3.223929570e+00 2.66 -3.169503555e+00 2.68 -3.114038302e+00 2.70 -3.057717660e+00 2.72 -3.000710147e+00 2.74 -2.943169974e+00 2.76 -2.885238004e+00 2.78 -2.827042655e+00 2.80 -2.768700746e+00 2.82 -2.710318295e+00 2.84 -2.651991257e+00 2.86 -2.593806232e+00 2.88 -2.535841118e+00 2.90 -2.478165729e+00 2.92 -2.420842372e+00 2.94 -2.363926394e+00 2.96 -2.307466689e+00 2.98 -2.251506183e+00 3.00 -2.196082277e+00 3.02 -2.141227282e+00 3.04 -2.086968808e+00 3.06 -2.033330151e+00 3.08 -1.980330640e+00 3.10 -1.927985980e+00 3.12 -1.876308363e+00 3.14 -1.823593333e+00 3.16 -1.753166833e+00 3.18 -1.622546944e+00 3.20 -1.413204108e+00 3.22 -1.357980674e+00 3.24 -1.317349197e+00 3.26 -1.277198228e+00 3.28 -1.237525738e+00 3.30 -1.198329104e+00 3.32 -1.159605287e+00 3.34 -1.121351007e+00 3.36 -1.083562928e+00 3.38 -1.046237825e+00 3.40 -1.009372771e+00 3.42 -9.729653056e-01 3.44 -9.370136197e-01 3.46 -9.015167262e-01 3.48 -8.664746367e-01 3.50 -8.318885324e-01 3.52 -7.977609314e-01 3.54 -7.640958497e-01 3.56 -7.308989543e-01 3.58 -6.981777057e-01 3.60 -6.659414868e-01 3.62 -6.329974441e-01 3.64 -5.847608283e-01 3.66 -4.841183710e-01 3.68 -2.742282144e-01 3.70 -2.092531543e-22 3.72 0.000000000e+00 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 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