# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Lee-B-J-Shim-J-H--Cu-Ni # implementation = 2004--Lee-B-J--Cu-Ni--LAMMPS--ipr1 # composition = Cu2Ni # 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 nan 0.76 nan 0.78 4.007049875e+02 0.80 3.738605374e+02 0.82 3.487115875e+02 0.84 3.251548904e+02 0.86 3.030933138e+02 0.88 2.824354866e+02 0.90 2.630954652e+02 0.92 2.449924185e+02 0.94 2.280503309e+02 0.96 2.121977225e+02 0.98 1.973673846e+02 1.00 1.834961308e+02 1.02 1.705245626e+02 1.04 1.583968470e+02 1.06 1.470605087e+02 1.08 1.364662329e+02 1.10 1.265676798e+02 1.12 1.173213098e+02 1.14 1.086862187e+02 1.16 1.006239824e+02 1.18 9.309851054e+01 1.20 8.607590846e+01 1.22 7.952434739e+01 1.24 7.341394192e+01 1.26 6.771663466e+01 1.28 6.240608759e+01 1.30 5.745757965e+01 1.32 5.284791041e+01 1.34 4.855530916e+01 1.36 4.455934950e+01 1.38 4.084086871e+01 1.40 3.738189203e+01 1.42 3.416556119e+01 1.44 3.117606725e+01 1.46 2.839858734e+01 1.48 2.581922507e+01 1.50 2.342495451e+01 1.52 2.120356746e+01 1.54 1.914362378e+01 1.56 1.723440469e+01 1.58 1.546586887e+01 1.60 1.382861106e+01 1.62 1.231382321e+01 1.64 1.091325791e+01 1.66 9.619193962e+00 1.68 8.424404038e+00 1.70 7.322124269e+00 1.72 6.306025644e+00 1.74 5.370187105e+00 1.76 4.509070292e+00 1.78 3.717495758e+00 1.80 2.990620669e+00 1.82 2.323917793e+00 1.84 1.713155806e+00 1.86 1.154380746e+00 1.88 6.438986295e-01 1.90 1.782590903e-01 1.92 -2.457599673e-01 1.94 -6.311667864e-01 1.96 -9.807693015e-01 1.98 -1.297187841e+00 2.00 -1.582867073e+00 2.02 -1.840087192e+00 2.04 -2.070974445e+00 2.06 -2.277510985e+00 2.08 -2.461544138e+00 2.10 -2.624795079e+00 2.12 -2.768866984e+00 2.14 -2.895252668e+00 2.16 -3.005341750e+00 2.18 -3.100427373e+00 2.20 -3.181712504e+00 2.22 -3.250315836e+00 2.24 -3.307277322e+00 2.26 -3.353563367e+00 2.28 -3.390071678e+00 2.30 -3.417635825e+00 2.32 -3.437029500e+00 2.34 -3.448970513e+00 2.36 -3.454124530e+00 2.38 -3.453108575e+00 2.40 -3.446494306e+00 2.42 -3.434811085e+00 2.44 -3.418548843e+00 2.46 -3.398160771e+00 2.48 -3.374065828e+00 2.50 -3.346651088e+00 2.52 -3.316273944e+00 2.54 -3.283264154e+00 2.56 -3.247925763e+00 2.58 -3.210538897e+00 2.60 -3.171361439e+00 2.62 -3.130630591e+00 2.64 -3.088564343e+00 2.66 -3.045362829e+00 2.68 -3.001209609e+00 2.70 -2.956272852e+00 2.72 -2.910706450e+00 2.74 -2.864651051e+00 2.76 -2.818235025e+00 2.78 -2.771575363e+00 2.80 -2.724778517e+00 2.82 -2.677941179e+00 2.84 -2.631151015e+00 2.86 -2.584487337e+00 2.88 -2.538021740e+00 2.90 -2.491818683e+00 2.92 -2.445936044e+00 2.94 -2.400425623e+00 2.96 -2.355333618e+00 2.98 -2.310701064e+00 3.00 -2.266564241e+00 3.02 -2.222955055e+00 3.04 -2.179901391e+00 3.06 -2.137427439e+00 3.08 -2.095553998e+00 3.10 -2.054298760e+00 3.12 -2.013676567e+00 3.14 -1.973699657e+00 3.16 -1.934377886e+00 3.18 -1.895718938e+00 3.20 -1.857728514e+00 3.22 -1.820410512e+00 3.24 -1.783767191e+00 3.26 -1.747799323e+00 3.28 -1.712506333e+00 3.30 -1.677886428e+00 3.32 -1.643936716e+00 3.34 -1.610653319e+00 3.36 -1.578031471e+00 3.38 -1.546065479e+00 3.40 -1.513904913e+00 3.42 -1.473916260e+00 3.44 -1.412618545e+00 3.46 -1.340704262e+00 3.48 -1.312228110e+00 3.50 -1.287046233e+00 3.52 -1.262360903e+00 3.54 -1.238165276e+00 3.56 -1.214452248e+00 3.58 -1.191214488e+00 3.60 -1.168444476e+00 3.62 -1.146134528e+00 3.64 -1.124276832e+00 3.66 -1.102863471e+00 3.68 -1.081886446e+00 3.70 -1.061337699e+00 3.72 -1.041209137e+00 3.74 -1.021492642e+00 3.76 -1.002180098e+00 3.78 -9.832633974e-01 3.80 -9.647344597e-01 3.82 -9.465852429e-01 3.84 -9.288077549e-01 3.86 -9.113940638e-01 3.88 -8.943363075e-01 3.90 -8.776267016e-01 3.92 -8.597686525e-01 3.94 -8.216236861e-01 3.96 -7.084804444e-01 3.98 -4.208205555e-01 4.00 -2.447985978e-22 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