# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = Mo2Nb # 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 2025-12-17 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 1.365148967e+03 0.98 1.228551042e+03 1.00 1.106170881e+03 1.02 9.968099530e+02 1.04 8.985532724e+02 1.06 8.103057522e+02 1.08 7.319121167e+02 1.10 6.620629831e+02 1.12 5.993049937e+02 1.14 5.424743972e+02 1.16 4.907254862e+02 1.18 4.436742438e+02 1.20 4.009883880e+02 1.22 3.625658832e+02 1.24 3.279239714e+02 1.26 2.966680080e+02 1.28 2.684541703e+02 1.30 2.428359339e+02 1.32 2.197497403e+02 1.34 1.989210523e+02 1.36 1.799949414e+02 1.38 1.629259999e+02 1.40 1.474647352e+02 1.42 1.333499813e+02 1.44 1.205218016e+02 1.46 1.088227219e+02 1.48 9.823641917e+01 1.50 8.871830138e+01 1.52 8.001173401e+01 1.54 7.206686595e+01 1.56 6.490371052e+01 1.58 5.834897703e+01 1.60 5.242112181e+01 1.62 4.701824900e+01 1.64 4.212933466e+01 1.66 3.766635675e+01 1.68 3.352844494e+01 1.70 2.975727523e+01 1.72 2.641233943e+01 1.74 2.344736328e+01 1.76 2.079343372e+01 1.78 1.842279992e+01 1.80 1.631675116e+01 1.82 1.438926086e+01 1.84 1.264397325e+01 1.86 1.107394992e+01 1.88 9.657508806e+00 1.90 8.388872256e+00 1.92 7.250254973e+00 1.94 6.218582563e+00 1.96 5.276621721e+00 1.98 4.416450411e+00 2.00 3.656319438e+00 2.02 2.916635623e+00 2.04 2.350477439e+00 2.06 1.845179688e+00 2.08 8.400255605e-01 2.10 3.479093383e-02 2.12 -5.474407217e-01 2.14 -9.849558452e-01 2.16 -1.433022178e+00 2.18 -1.883922041e+00 2.20 -2.247005432e+00 2.22 -2.560467186e+00 2.24 -2.858036212e+00 2.26 -3.161765193e+00 2.28 -3.464646014e+00 2.30 -3.744816720e+00 2.32 -3.986050540e+00 2.34 -4.193574682e+00 2.36 -4.382613958e+00 2.38 -4.567750352e+00 2.40 -4.768262869e+00 2.42 -4.969965030e+00 2.44 -5.161441169e+00 2.46 -5.335107835e+00 2.48 -5.465113874e+00 2.50 -5.585747334e+00 2.52 -5.682684619e+00 2.54 -5.773816175e+00 2.56 -5.862283851e+00 2.58 -5.945363553e+00 2.60 -6.008974775e+00 2.62 -6.038939058e+00 2.64 -6.038059685e+00 2.66 -6.023428922e+00 2.68 -6.011960336e+00 2.70 -6.009519622e+00 2.72 -5.999935521e+00 2.74 -5.978880005e+00 2.76 -5.941945178e+00 2.78 -5.888060368e+00 2.80 -5.818966980e+00 2.82 -5.737855089e+00 2.84 -5.650031969e+00 2.86 -5.558183823e+00 2.88 -5.459256083e+00 2.90 -5.347811674e+00 2.92 -5.221048734e+00 2.94 -5.085130510e+00 2.96 -4.954654471e+00 2.98 -4.845472256e+00 3.00 -4.757560174e+00 3.02 -4.678248407e+00 3.04 -4.592880021e+00 3.06 -4.495873921e+00 3.08 -4.396123708e+00 3.10 -4.309068450e+00 3.12 -4.224001121e+00 3.14 -4.125648788e+00 3.16 -4.017098354e+00 3.18 -3.899786280e+00 3.20 -3.786657118e+00 3.22 -3.700099549e+00 3.24 -3.662959369e+00 3.26 -3.648116707e+00 3.28 -3.628197239e+00 3.30 -3.596946169e+00 3.32 -3.552815728e+00 3.34 -3.497699755e+00 3.36 -3.434506933e+00 3.38 -3.366135426e+00 3.40 -3.296234637e+00 3.42 -3.229321190e+00 3.44 -3.167861104e+00 3.46 -3.114061309e+00 3.48 -3.069526596e+00 3.50 -3.030818941e+00 3.52 -2.991742305e+00 3.54 -2.947851757e+00 3.56 -2.896351896e+00 3.58 -2.838022678e+00 3.60 -2.776223853e+00 3.62 -2.714314684e+00 3.64 -2.655666632e+00 3.66 -2.600353276e+00 3.68 -2.543012794e+00 3.70 -2.476595136e+00 3.72 -2.394348248e+00 3.74 -2.298670477e+00 3.76 -2.204576501e+00 3.78 -2.126571337e+00 3.80 -2.076305844e+00 3.82 -2.029836557e+00 3.84 -1.973932863e+00 3.86 -1.908382821e+00 3.88 -1.833272497e+00 3.90 -1.749338565e+00 3.92 -1.658321474e+00 3.94 -1.562573508e+00 3.96 -1.463666625e+00 3.98 -1.362475998e+00 4.00 -1.260355868e+00 4.02 -1.161312192e+00 4.04 -1.071396606e+00 4.06 -9.963388535e-01 4.08 -9.385701795e-01 4.10 -8.971215532e-01 4.12 -8.700994137e-01 4.14 -8.551559838e-01 4.16 -8.499661129e-01 4.18 -8.522144433e-01 4.20 -8.597574298e-01 4.22 -8.717934382e-01 4.24 -8.875193042e-01 4.26 -9.057871496e-01 4.28 -9.254379101e-01 4.30 -9.453041129e-01 4.32 -9.642319740e-01 4.34 -9.812660568e-01 4.36 -9.963481482e-01 4.38 -1.009700234e+00 4.40 -1.021547088e+00 4.42 -1.032114610e+00 4.44 -1.041628489e+00 4.46 -1.050216550e+00 4.48 -1.057835625e+00 4.50 -1.064535437e+00 4.52 -1.070353307e+00 4.54 -1.075286311e+00 4.56 -1.079265832e+00 4.58 -1.081911980e+00 4.60 -1.082346650e+00 4.62 -1.079387801e+00 4.64 -1.071744120e+00 4.66 -1.058231036e+00 4.68 -1.037905172e+00 4.70 -1.010611675e+00 4.72 -9.770507224e-01 4.74 -9.385130183e-01 4.76 -8.973462150e-01 4.78 -8.561960338e-01 4.80 -8.176767035e-01 4.82 -7.844638982e-01 4.84 -7.591492181e-01 4.86 -7.440562925e-01 4.88 -7.401000554e-01 4.90 -7.457191357e-01 4.92 -7.588769454e-01 4.94 -7.762947861e-01 4.96 -7.944578271e-01 4.98 -8.101161336e-01 5.00 -8.202715198e-01 5.02 -8.233668065e-01 5.04 -8.195894944e-01 5.06 -8.107675063e-01 5.08 -7.990176512e-01 5.10 -7.864375797e-01 5.12 -7.751242034e-01 5.14 -7.670343411e-01 5.16 -7.623783351e-01 5.18 -7.594720157e-01 5.20 -7.564531273e-01 5.22 -7.514464513e-01 5.24 -7.425654520e-01 5.26 -7.279853947e-01 5.28 -7.080836729e-01 5.30 -6.859004700e-01 5.32 -6.647270497e-01 5.34 -6.479474141e-01 5.36 -6.390183007e-01 5.38 -6.383802963e-01 5.40 -6.369004643e-01 5.42 -6.336485212e-01 5.44 -6.287131937e-01 5.46 -6.221418938e-01 5.48 -6.139499557e-01 5.50 -6.041392598e-01 5.52 -5.927158352e-01 5.54 -5.797401719e-01 5.56 -5.657146516e-01 5.58 -5.515525932e-01 5.60 -5.383692023e-01 5.62 -5.274197866e-01 5.64 -5.199754181e-01 5.66 -5.171330861e-01 5.68 -5.192344957e-01 5.70 -5.246918492e-01 5.72 -5.316356612e-01 5.74 -5.386604787e-01 5.76 -5.448805169e-01 5.78 -5.498102755e-01 5.80 -5.531438882e-01 5.82 -5.547738729e-01 5.84 -5.548358769e-01 5.86 -5.533149072e-01 5.88 -5.501392998e-01 5.90 -5.453116439e-01 5.92 -5.390037110e-01 5.94 -5.315643115e-01 5.96 -5.228294588e-01 5.98 -5.119228964e-01 6.00 -4.977123156e-01