# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--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 2024-04-11 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 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 1.212426638e+02 1.16 1.108723870e+02 1.18 1.013865931e+02 1.20 9.270609427e+01 1.22 8.475787910e+01 1.24 7.747642718e+01 1.26 7.080367377e+01 1.28 6.468728413e+01 1.30 5.907802823e+01 1.32 5.392888398e+01 1.34 4.919669567e+01 1.36 4.484397693e+01 1.38 4.083890795e+01 1.40 3.715416994e+01 1.42 3.376576566e+01 1.44 3.065177937e+01 1.46 2.779160633e+01 1.48 2.516510085e+01 1.50 2.275244590e+01 1.52 2.053477828e+01 1.54 1.849486565e+01 1.56 1.661723247e+01 1.58 1.488787515e+01 1.60 1.329418622e+01 1.62 1.182525250e+01 1.64 1.047204833e+01 1.66 9.227105230e+00 1.68 8.083770482e+00 1.70 7.035459475e+00 1.72 6.075217823e+00 1.74 5.195699678e+00 1.76 4.389480832e+00 1.78 3.649506579e+00 1.80 2.969478518e+00 1.82 2.344067908e+00 1.84 1.768913835e+00 1.86 1.240427772e+00 1.88 7.555007273e-01 1.90 3.112403735e-01 1.92 -9.517505314e-02 1.94 -4.665100540e-01 1.96 -8.053941952e-01 1.98 -1.114223980e+00 2.00 -1.395107715e+00 2.02 -1.649878959e+00 2.04 -1.880161296e+00 2.06 -2.087446740e+00 2.08 -2.273156766e+00 2.10 -2.438674287e+00 2.12 -2.585351658e+00 2.14 -2.714507561e+00 2.16 -2.827425382e+00 2.18 -2.925354694e+00 2.20 -3.009521347e+00 2.22 -3.081136720e+00 2.24 -3.141398203e+00 2.26 -3.191489259e+00 2.28 -3.233193668e+00 2.30 -3.267438243e+00 2.32 -3.294317725e+00 2.34 -3.314037137e+00 2.36 -3.326969976e+00 2.38 -3.333564271e+00 2.40 -3.334253113e+00 2.42 -3.329421697e+00 2.44 -3.319433656e+00 2.46 -3.304558204e+00 2.48 -3.284984697e+00 2.50 -3.260858647e+00 2.52 -3.232308654e+00 2.54 -3.199463040e+00 2.56 -3.162459291e+00 2.58 -3.121450804e+00 2.60 -3.076614986e+00 2.62 -3.028165199e+00 2.64 -2.976366879e+00 2.66 -2.921555418e+00 2.68 -2.864150569e+00 2.70 -2.804660152e+00 2.72 -2.743666349e+00 2.74 -2.681791800e+00 2.76 -2.619649610e+00 2.78 -2.557788314e+00 2.80 -2.496646030e+00 2.82 -2.436525298e+00 2.84 -2.377592776e+00 2.86 -2.319899887e+00 2.88 -2.263415480e+00 2.90 -2.208060830e+00 2.92 -2.153739805e+00 2.94 -2.100360615e+00 2.96 -2.047848693e+00 2.98 -1.996152088e+00 3.00 -1.945241541e+00 3.02 -1.895107334e+00 3.04 -1.845754627e+00 3.06 -1.797198467e+00 3.08 -1.749459172e+00 3.10 -1.702558470e+00 3.12 -1.656516492e+00 3.14 -1.611349630e+00 3.16 -1.567069149e+00 3.18 -1.523680472e+00 3.20 -1.481183031e+00 3.22 -1.439570587e+00 3.24 -1.398831924e+00 3.26 -1.358951828e+00 3.28 -1.319912227e+00 3.30 -1.281693379e+00 3.32 -1.244274974e+00 3.34 -1.207637033e+00 3.36 -1.171760514e+00 3.38 -1.136627574e+00 3.40 -1.102221479e+00 3.42 -1.068526243e+00 3.44 -1.035526055e+00 3.46 -1.003204626e+00 3.48 -9.715445801e-01 3.50 -9.405269664e-01 3.52 -9.101309902e-01 3.54 -8.803339904e-01 3.56 -8.511116861e-01 3.58 -8.224386857e-01 3.60 -7.942892512e-01 3.62 -7.666383053e-01 3.64 -7.394626749e-01 3.66 -7.127425598e-01 3.68 -6.864631976e-01 3.70 -6.606166537e-01 3.72 -6.352036056e-01 3.74 -6.102349124e-01 3.76 -5.857326933e-01 3.78 -5.617305964e-01 3.80 -5.382729648e-01 3.82 -5.154127139e-01 3.84 -4.932079218e-01 3.86 -4.717173856e-01 3.88 -4.509956301e-01 3.90 -4.310880182e-01 3.92 -4.120266325e-01 3.94 -3.938274652e-01 3.96 -3.764892055e-01 3.98 -3.599936183e-01 4.00 -3.443072561e-01 4.02 -3.293840829e-01 4.04 -3.151685493e-01 4.06 -3.015987052e-01 4.08 -2.886090530e-01 4.10 -2.761329689e-01 4.12 -2.641046421e-01 4.14 -2.524605631e-01 4.16 -2.411406525e-01 4.18 -2.300891415e-01 4.20 -2.192553181e-01 4.22 -2.085942364e-01 4.24 -1.980674621e-01 4.26 -1.876438909e-01 4.28 -1.773006389e-01 4.30 -1.670239615e-01 4.32 -1.568101136e-01 4.34 -1.466660282e-01 4.36 -1.366096598e-01 4.38 -1.266698355e-01 4.40 -1.168854736e-01 4.42 -1.073040803e-01 4.44 -9.797951937e-02 4.46 -8.896915018e-02 4.48 -8.033053421e-02 4.50 -7.211799953e-02 4.52 -6.437939558e-02 4.54 -5.715336317e-02 4.56 -5.046737571e-02 4.58 -4.433670911e-02 4.60 -3.876436158e-02 4.62 -3.374182886e-02 4.64 -2.925032041e-02 4.66 -2.526286904e-02 4.68 -2.174699853e-02 4.70 -1.866606302e-02 4.72 -1.598091793e-02 4.74 -1.365214851e-02 4.76 -1.164130042e-02 4.78 -9.911545570e-03 4.80 -8.428414589e-03 4.82 -7.160238971e-03 4.84 -6.078361403e-03 4.86 -5.157172263e-03 4.88 -4.374021870e-03 4.90 -3.709050676e-03 4.92 -3.144970427e-03 4.94 -2.666821178e-03 4.96 -2.261722096e-03 4.98 -1.918628250e-03 5.00 -1.628101218e-03 5.02 -1.382097983e-03 5.04 -1.173780260e-03 5.06 -9.973447303e-04 5.08 -8.478736049e-04 5.10 -7.212042522e-04 5.12 -6.138162905e-04 5.14 -5.227343763e-04 5.16 -4.454449037e-04 5.18 -3.798249003e-04 5.20 -3.240815237e-04 5.22 -2.767007085e-04 5.24 -2.364036672e-04 5.26 -2.021101049e-04 5.28 -1.729071484e-04 5.30 -1.480231295e-04 5.32 -1.268054769e-04 5.34 -1.087020857e-04 5.36 -9.324561890e-05 5.38 -8.004028479e-05 5.40 -6.875069761e-05 5.42 -5.909249439e-05 5.44 -5.082442887e-05 5.46 -4.374170864e-05 5.48 -3.767037810e-05 5.50 -3.246258142e-05 5.52 -2.799256590e-05 5.54 -2.415330844e-05 5.56 -2.085366658e-05 5.58 -1.801597120e-05 5.60 -1.557399137e-05 5.62 -1.347121282e-05 5.64 -1.165938075e-05 5.66 -1.009726580e-05 5.68 -8.749618196e-06 5.70 -7.586280947e-06 5.72 -6.581437366e-06 5.74 -5.712972180e-06 5.76 -4.961928729e-06 5.78 -4.312047516e-06 5.80 -3.749373650e-06 5.82 -3.261922695e-06 5.84 -2.839396039e-06 5.86 -2.472938294e-06 5.88 -2.154930391e-06 5.90 -1.878812995e-06 5.92 -1.638935714e-06 5.94 -1.430428239e-06 5.96 -1.249090166e-06 5.98 -1.091296730e-06 6.00 -9.539181009e-07