# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Onat-B-Durukanoglu-S--Cu-Ni # implementation = 2013--Onat-B--Cu-Ni--LAMMPS--ipr1 # composition = CuNi2 # 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 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 1.293363665e+02 1.00 1.182465679e+02 1.02 1.081204226e+02 1.04 9.885754708e+01 1.06 9.038571065e+01 1.08 8.260552858e+01 1.10 7.546534843e+01 1.12 6.891748317e+01 1.14 6.291828464e+01 1.16 5.741183344e+01 1.18 5.234966331e+01 1.20 4.768820587e+01 1.22 4.338472798e+01 1.24 3.943077374e+01 1.26 3.579579050e+01 1.28 3.244543591e+01 1.30 2.936951733e+01 1.32 2.654406099e+01 1.34 2.395438887e+01 1.36 2.157766013e+01 1.38 1.941112318e+01 1.40 1.743169240e+01 1.42 1.562155126e+01 1.44 1.396152293e+01 1.46 1.244616362e+01 1.48 1.106197955e+01 1.50 9.808316795e+00 1.52 8.673772260e+00 1.54 7.643518433e+00 1.56 6.717278353e+00 1.58 5.888849280e+00 1.60 5.148520376e+00 1.62 4.489331265e+00 1.64 3.902762847e+00 1.66 3.380524715e+00 1.68 2.913686318e+00 1.70 2.504186300e+00 1.72 2.145631890e+00 1.74 1.828373278e+00 1.76 1.535396090e+00 1.78 1.269420876e+00 1.80 1.026755720e+00 1.82 8.047020963e-01 1.84 6.005905688e-01 1.86 4.100216338e-01 1.88 2.422764063e-01 1.90 9.581714407e-02 1.92 -1.177015310e-01 1.94 -4.836048129e-01 1.96 -8.217254300e-01 1.98 -1.131239948e+00 2.00 -1.414470376e+00 2.02 -1.673297315e+00 2.04 -1.909533422e+00 2.06 -2.124931451e+00 2.08 -2.321192426e+00 2.10 -2.500004212e+00 2.12 -2.663289076e+00 2.14 -2.811093495e+00 2.16 -2.941735337e+00 2.18 -3.057562671e+00 2.20 -3.159708914e+00 2.22 -3.249282290e+00 2.24 -3.327138527e+00 2.26 -3.394691638e+00 2.28 -3.450026951e+00 2.30 -3.494050397e+00 2.32 -3.527688785e+00 2.34 -3.551656171e+00 2.36 -3.566632025e+00 2.38 -3.573262764e+00 2.40 -3.572213062e+00 2.42 -3.564219324e+00 2.44 -3.549860474e+00 2.46 -3.528379559e+00 2.48 -3.506098514e+00 2.50 -3.478824215e+00 2.52 -3.448172492e+00 2.54 -3.414433834e+00 2.56 -3.375887364e+00 2.58 -3.333377297e+00 2.60 -3.287376398e+00 2.62 -3.238196577e+00 2.64 -3.186123709e+00 2.66 -3.131428152e+00 2.68 -3.074663984e+00 2.70 -3.016220532e+00 2.72 -2.956333955e+00 2.74 -2.894597535e+00 2.76 -2.832599066e+00 2.78 -2.770874443e+00 2.80 -2.708435344e+00 2.82 -2.645767754e+00 2.84 -2.583009737e+00 2.86 -2.520285563e+00 2.88 -2.457706438e+00 2.90 -2.395371148e+00 2.92 -2.333366702e+00 2.94 -2.271768939e+00 2.96 -2.210643088e+00 2.98 -2.150044319e+00 3.00 -2.090018385e+00 3.02 -2.030600760e+00 3.04 -1.971920536e+00 3.06 -1.914128158e+00 3.08 -1.857259707e+00 3.10 -1.801346962e+00 3.12 -1.746417896e+00 3.14 -1.692497501e+00 3.16 -1.639608321e+00 3.18 -1.587788523e+00 3.20 -1.537008461e+00 3.22 -1.486541385e+00 3.24 -1.438396632e+00 3.26 -1.391908008e+00 3.28 -1.347125837e+00 3.30 -1.304153101e+00 3.32 -1.262996979e+00 3.34 -1.223351003e+00 3.36 -1.183976133e+00 3.38 -1.145405859e+00 3.40 -1.107616098e+00 3.42 -1.070579950e+00 3.44 -1.034267565e+00 3.46 -9.986457047e-01 3.48 -9.636800285e-01 3.50 -9.293129218e-01 3.52 -8.956285996e-01 3.54 -8.628824872e-01 3.56 -8.311124918e-01 3.58 -8.003073921e-01 3.60 -7.704594568e-01 3.62 -7.415614783e-01 3.64 -7.136069560e-01 3.66 -6.865902358e-01 3.68 -6.605066199e-01 3.70 -6.353525194e-01 3.72 -6.111256516e-01 3.74 -5.878251053e-01 3.76 -5.654515853e-01 3.78 -5.440075444e-01 3.80 -5.234973451e-01 3.82 -5.039275189e-01 3.84 -4.853061027e-01 3.86 -4.676320069e-01 3.88 -4.507858555e-01 3.90 -4.347460893e-01 3.92 -4.201404681e-01 3.94 -4.053485318e-01 3.96 -3.909119350e-01 3.98 -3.768162225e-01 4.00 -3.630569633e-01 4.02 -3.496325639e-01 4.04 -3.364829389e-01 4.06 -3.235387493e-01 4.08 -3.108015670e-01 4.10 -2.983446283e-01 4.12 -2.862265494e-01 4.14 -2.744526911e-01 4.16 -2.630129246e-01 4.18 -2.518940562e-01 4.20 -2.410913704e-01 4.22 -2.305939115e-01 4.24 -2.203796773e-01 4.26 -2.104500664e-01 4.28 -2.008346052e-01 4.30 -1.915477095e-01 4.32 -1.825803588e-01 4.34 -1.739224484e-01 4.36 -1.655690907e-01 4.38 -1.575162616e-01 4.40 -1.497524212e-01 4.42 -1.422670686e-01 4.44 -1.350500481e-01 4.46 -1.280934105e-01 4.48 -1.214026430e-01 4.50 -1.149685059e-01 4.52 -1.087785525e-01 4.54 -1.028200861e-01 4.56 -9.708089577e-02 4.58 -9.155072024e-02 4.60 -8.625893432e-02 4.62 -8.123611237e-02 4.64 -7.644337749e-02 4.66 -7.184831673e-02 4.68 -6.742517994e-02 4.70 -6.314911677e-02 4.72 -5.899867408e-02 4.74 -5.495547423e-02 4.76 -5.100385553e-02 4.78 -4.709032743e-02 4.80 -4.320161724e-02 4.82 -3.941212618e-02 4.84 -3.577976889e-02 4.86 -3.234782817e-02 4.88 -2.914732900e-02 4.90 -2.619909689e-02 4.92 -2.351553838e-02 4.94 -2.109467210e-02 4.96 -1.893528513e-02 4.98 -1.704648277e-02 5.00 -1.543061669e-02 5.02 -1.408455606e-02 5.04 -1.300088264e-02 5.06 -1.217792475e-02 5.08 -1.163184657e-02 5.10 -1.131590554e-02 5.12 -1.118272515e-02 5.14 -1.119203439e-02 5.16 -1.130982115e-02 5.18 -1.150773151e-02 5.20 -1.177036368e-02 5.22 -1.207682896e-02 5.24 -1.240445227e-02 5.26 -1.273566155e-02 5.28 -1.305724472e-02 5.30 -1.335970908e-02 5.32 -1.363672586e-02 5.34 -1.388465410e-02 5.36 -1.410213028e-02 5.38 -1.428971813e-02 5.40 -1.444960972e-02 5.42 -1.458537106e-02 5.44 -1.470172847e-02 5.46 -1.480438710e-02 5.48 -1.489988189e-02 5.50 -1.499545211e-02 5.52 -1.501002063e-02 5.54 -1.665118196e-02 5.56 -1.662636909e-02 5.58 -1.653622136e-02 5.60 -1.638482022e-02 5.62 -1.617627002e-02 5.64 -1.591466526e-02 5.66 -1.560406582e-02 5.68 -1.524847569e-02 5.70 -1.485182744e-02 5.72 -1.441796972e-02 5.74 -1.395065823e-02 5.76 -1.345354983e-02 5.78 -1.293019814e-02 5.80 -1.238405229e-02 5.82 -1.181845610e-02 5.84 -1.123664976e-02 5.86 -1.064177183e-02 5.88 -1.003686278e-02 5.90 -9.424869049e-03 5.92 -8.808647705e-03 5.94 -8.190971996e-03 5.96 -7.574536776e-03 5.98 -6.961964888e-03 6.00 -6.355813232e-03