# 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 = AgMo2 # 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 3.725476723e+02 1.16 3.434113720e+02 1.18 3.166741972e+02 1.20 2.921257938e+02 1.22 2.695712089e+02 1.24 2.488298882e+02 1.26 2.297369607e+02 1.28 2.121443516e+02 1.30 1.959195463e+02 1.32 1.809426794e+02 1.34 1.671040898e+02 1.36 1.543035680e+02 1.38 1.424507995e+02 1.40 1.314657044e+02 1.42 1.212778600e+02 1.44 1.118250776e+02 1.46 1.030517316e+02 1.48 9.490745861e+01 1.50 8.734646420e+01 1.52 8.032720989e+01 1.54 7.381207585e+01 1.56 6.776680601e+01 1.58 6.215981045e+01 1.60 5.696148555e+01 1.62 5.214699621e+01 1.64 4.769426831e+01 1.66 4.357671168e+01 1.68 3.976877146e+01 1.70 3.624770147e+01 1.72 3.299117759e+01 1.74 2.997792403e+01 1.76 2.718856090e+01 1.78 2.460568058e+01 1.80 2.221383125e+01 1.82 1.999941617e+01 1.84 1.795051335e+01 1.86 1.605662403e+01 1.88 1.430837073e+01 1.90 1.269717903e+01 1.92 1.121498436e+01 1.94 9.854000204e+00 1.96 8.606567753e+00 1.98 7.465085065e+00 2.00 6.421996826e+00 2.02 5.469816948e+00 2.04 4.601158372e+00 2.06 3.808758477e+00 2.08 3.085509929e+00 2.10 2.424520859e+00 2.12 1.819221669e+00 2.14 1.263511131e+00 2.16 7.519088814e-01 2.18 2.796713517e-01 2.20 -1.571614388e-01 2.22 -5.617976707e-01 2.24 -9.367901728e-01 2.26 -1.284169681e+00 2.28 -1.605578568e+00 2.30 -1.902023220e+00 2.32 -2.174921709e+00 2.34 -2.425865246e+00 2.36 -2.656267868e+00 2.38 -2.867424189e+00 2.40 -3.060540903e+00 2.42 -3.236750511e+00 2.44 -3.397070095e+00 2.46 -3.541998999e+00 2.48 -3.671808760e+00 2.50 -3.786830287e+00 2.52 -3.887428345e+00 2.54 -3.973983821e+00 2.56 -4.046885707e+00 2.58 -4.106529123e+00 2.60 -4.153315178e+00 2.62 -4.187648965e+00 2.64 -4.209933955e+00 2.66 -4.220563833e+00 2.68 -4.219915098e+00 2.70 -4.208344050e+00 2.72 -4.186190147e+00 2.74 -4.153785362e+00 2.76 -4.111467641e+00 2.78 -4.059596466e+00 2.80 -3.998569364e+00 2.82 -3.928839072e+00 2.84 -3.850931307e+00 2.86 -3.765462493e+00 2.88 -3.673155776e+00 2.90 -3.574852444e+00 2.92 -3.471598080e+00 2.94 -3.364495698e+00 2.96 -3.254591093e+00 2.98 -3.143001694e+00 3.00 -3.030866231e+00 3.02 -2.919287069e+00 3.04 -2.809272587e+00 3.06 -2.701686501e+00 3.08 -2.597212669e+00 3.10 -2.496343043e+00 3.12 -2.399363679e+00 3.14 -2.306363053e+00 3.16 -2.217257106e+00 3.18 -2.131822682e+00 3.20 -2.049734993e+00 3.22 -1.970605313e+00 3.24 -1.894016174e+00 3.26 -1.819552380e+00 3.28 -1.746827148e+00 3.30 -1.675503239e+00 3.32 -1.605309251e+00 3.34 -1.536051236e+00 3.36 -1.467619659e+00 3.38 -1.399991555e+00 3.40 -1.333227714e+00 3.42 -1.267464812e+00 3.44 -1.202902755e+00 3.46 -1.139787971e+00 3.48 -1.078393873e+00 3.50 -1.019000175e+00 3.52 -9.618728938e-01 3.54 -9.072468441e-01 3.56 -8.553120377e-01 3.58 -8.062048376e-01 3.60 -7.600040801e-01 3.62 -7.167317756e-01 3.64 -6.763575509e-01 3.66 -6.388057564e-01 3.68 -6.039641038e-01 3.70 -5.716928169e-01 3.72 -5.418334774e-01 3.74 -5.142169965e-01 3.76 -4.886703783e-01 3.78 -4.650221428e-01 3.80 -4.431064270e-01 3.82 -4.227658796e-01 3.84 -4.038535225e-01 3.86 -3.862337705e-01 3.88 -3.697827990e-01 3.90 -3.543884300e-01 3.92 -3.399496832e-01 3.94 -3.263761093e-01 3.96 -3.135869974e-01 3.98 -3.015105267e-01 4.00 -2.900829043e-01 4.02 -2.792475327e-01 4.04 -2.689542207e-01 4.06 -2.591582777e-01 4.08 -2.498199802e-01 4.10 -2.409045093e-01 4.12 -2.323807459e-01 4.14 -2.242208264e-01 4.16 -2.163997688e-01 4.18 -2.088951175e-01 4.20 -2.016866224e-01 4.22 -1.947559518e-01 4.24 -1.880864376e-01 4.26 -1.816628493e-01 4.28 -1.754711958e-01 4.30 -1.694985516e-01 4.32 -1.637329031e-01 4.34 -1.581630144e-01 4.36 -1.527783093e-01 4.38 -1.475687673e-01 4.40 -1.425248319e-01 4.42 -1.376373306e-01 4.44 -1.328974039e-01 4.46 -1.282964442e-01 4.48 -1.238260429e-01 4.50 -1.194779460e-01 4.52 -1.152440186e-01 4.54 -1.111162187e-01 4.56 -1.070865809e-01 4.58 -1.031472123e-01 4.60 -9.929030117e-02 4.62 -9.550814137e-02 4.64 -9.179317452e-02 4.66 -8.813805228e-02 4.68 -8.453572138e-02 4.70 -8.097953343e-02 4.72 -7.746338069e-02 4.74 -7.398185785e-02 4.76 -7.053044789e-02 4.78 -6.710572670e-02 4.80 -6.370557897e-02 4.82 -6.032942004e-02 4.84 -5.697838871e-02 4.86 -5.365551427e-02 4.88 -5.036582078e-02 4.90 -4.711635061e-02 4.92 -4.391608645e-02 4.94 -4.077575142e-02 4.96 -3.770748467e-02 4.98 -3.472440692e-02 5.00 -3.184008293e-02 5.02 -2.906791907e-02 5.04 -2.642054053e-02 5.06 -2.390919779e-02 5.08 -2.154308661e-02 5.10 -1.932899271e-02 5.12 -1.727168267e-02 5.14 -1.537324922e-02 5.16 -1.363315321e-02 5.18 -1.204842822e-02 5.20 -1.061398791e-02 5.22 -9.322999988e-03 5.24 -8.167290519e-03 5.26 -7.137747067e-03 5.28 -6.224695520e-03 5.30 -5.418233318e-03 5.32 -4.708509218e-03 5.34 -4.085946133e-03 5.36 -3.541408523e-03 5.38 -3.066319170e-03 5.40 -2.652732151e-03 5.42 -2.293369643e-03 5.44 -1.981630144e-03 5.46 -1.711575183e-03 5.48 -1.477900634e-03 5.50 -1.275897814e-03 5.52 -1.101408473e-03 5.54 -9.507768913e-04 5.56 -8.208014527e-04 5.58 -7.086874017e-04 5.60 -6.120019170e-04 5.62 -5.286322249e-04 5.64 -4.567471337e-04 5.66 -3.947621406e-04 5.68 -3.413080876e-04 5.70 -2.952032340e-04 5.72 -2.554285365e-04 5.74 -2.211058906e-04 5.76 -1.914790654e-04 5.78 -1.658970630e-04 5.80 -1.437996417e-04 5.82 -1.247047536e-04 5.84 -1.081976696e-04 5.86 -9.392158157e-05 5.88 -8.156949343e-05 5.90 -7.087723415e-05 5.92 -6.161744251e-05 5.94 -5.359439313e-05 5.96 -4.663954907e-05 5.98 -4.060774055e-05 6.00 -3.537388303e-05