# 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 = Co2Mo # 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 2.257299042e+02 1.16 2.070050557e+02 1.18 1.898620292e+02 1.20 1.741479135e+02 1.22 1.597277965e+02 1.24 1.464834696e+02 1.26 1.343118306e+02 1.28 1.231224572e+02 1.30 1.128346406e+02 1.32 1.033747483e+02 1.34 9.467447866e+01 1.36 8.666988692e+01 1.38 7.930108646e+01 1.40 7.251268255e+01 1.42 6.625429385e+01 1.44 6.048046856e+01 1.46 5.515025617e+01 1.48 5.022694053e+01 1.50 4.567783208e+01 1.52 4.147384663e+01 1.54 3.758901824e+01 1.56 3.400288045e+01 1.58 3.069657808e+01 1.60 2.765255531e+01 1.62 2.485272929e+01 1.64 2.227986988e+01 1.66 1.991752208e+01 1.68 1.774996863e+01 1.70 1.576230254e+01 1.72 1.394044579e+01 1.74 1.227105331e+01 1.76 1.074141249e+01 1.78 9.339486104e+00 1.80 8.054115384e+00 1.82 6.875255920e+00 1.84 5.794106963e+00 1.86 4.803080677e+00 1.88 3.895628771e+00 1.90 3.065979856e+00 1.92 2.308868366e+00 1.94 1.619339138e+00 1.96 9.926643029e-01 1.98 4.243389180e-01 2.00 -8.990916370e-02 2.02 -5.541372105e-01 2.04 -9.722390972e-01 2.06 -1.348011355e+00 2.08 -1.685202636e+00 2.10 -1.987519018e+00 2.12 -2.258575452e+00 2.14 -2.501804427e+00 2.16 -2.720347139e+00 2.18 -2.916957912e+00 2.20 -3.093765074e+00 2.22 -3.252638473e+00 2.24 -3.395465483e+00 2.26 -3.523672213e+00 2.28 -3.638352816e+00 2.30 -3.740387652e+00 2.32 -3.830498900e+00 2.34 -3.909033457e+00 2.36 -3.976352133e+00 2.38 -4.032814027e+00 2.40 -4.078770637e+00 2.42 -4.114662734e+00 2.44 -4.140995864e+00 2.46 -4.158322981e+00 2.48 -4.167230660e+00 2.50 -4.168326581e+00 2.52 -4.162184874e+00 2.54 -4.149250116e+00 2.56 -4.129986620e+00 2.58 -4.104906257e+00 2.60 -4.074553789e+00 2.62 -4.039481949e+00 2.64 -4.000219940e+00 2.66 -3.957245164e+00 2.68 -3.910967529e+00 2.70 -3.861729212e+00 2.72 -3.809815764e+00 2.74 -3.755471380e+00 2.76 -3.698912432e+00 2.78 -3.640336449e+00 2.80 -3.579926410e+00 2.82 -3.517851603e+00 2.84 -3.454266657e+00 2.86 -3.389310128e+00 2.88 -3.323103725e+00 2.90 -3.255752914e+00 2.92 -3.187349368e+00 2.94 -3.117975336e+00 2.96 -3.047709544e+00 2.98 -2.976633499e+00 3.00 -2.904836455e+00 3.02 -2.832416954e+00 3.04 -2.759479417e+00 3.06 -2.686125749e+00 3.08 -2.612444005e+00 3.10 -2.538497707e+00 3.12 -2.464319435e+00 3.14 -2.389910788e+00 3.16 -2.315248533e+00 3.18 -2.240295075e+00 3.20 -2.165010783e+00 3.22 -2.089366148e+00 3.24 -2.013352599e+00 3.26 -1.936991533e+00 3.28 -1.860341505e+00 3.30 -1.783503604e+00 3.32 -1.706624905e+00 3.34 -1.629899724e+00 3.36 -1.553568298e+00 3.38 -1.477912493e+00 3.40 -1.403248348e+00 3.42 -1.329915520e+00 3.44 -1.258264121e+00 3.46 -1.188639830e+00 3.48 -1.121368501e+00 3.50 -1.056741647e+00 3.52 -9.950041343e-01 3.54 -9.363451469e-01 3.56 -8.808930746e-01 3.58 -8.287144574e-01 3.60 -7.798166622e-01 3.62 -7.341535975e-01 3.64 -6.916335586e-01 3.66 -6.521282415e-01 3.68 -6.154820463e-01 3.70 -5.815209551e-01 3.72 -5.500604823e-01 3.74 -5.209124015e-01 3.76 -4.938901383e-01 3.78 -4.688128529e-01 3.80 -4.455083314e-01 3.82 -4.238148557e-01 3.84 -4.035822404e-01 3.86 -3.846722190e-01 3.88 -3.669583482e-01 3.90 -3.503255709e-01 3.92 -3.346695551e-01 3.94 -3.198959048e-01 3.96 -3.059193136e-01 3.98 -2.926627223e-01 4.00 -2.800565251e-01 4.02 -2.680378608e-01 4.04 -2.565500198e-01 4.06 -2.455419897e-01 4.08 -2.349681585e-01 4.10 -2.247881828e-01 4.12 -2.149670198e-01 4.14 -2.054750996e-01 4.16 -1.962885959e-01 4.18 -1.873897215e-01 4.20 -1.787669456e-01 4.22 -1.704150125e-01 4.24 -1.623346342e-01 4.26 -1.545317571e-01 4.28 -1.470163562e-01 4.30 -1.398008056e-01 4.32 -1.328979636e-01 4.34 -1.263191935e-01 4.36 -1.200725209e-01 4.38 -1.141609918e-01 4.40 -1.085829014e-01 4.42 -1.033310269e-01 4.44 -9.839290921e-02 4.46 -9.375172460e-02 4.48 -8.938738501e-02 4.50 -8.527768638e-02 4.52 -8.139936927e-02 4.54 -7.772900642e-02 4.56 -7.424368237e-02 4.58 -7.092146845e-02 4.60 -6.774172188e-02 4.62 -6.468524918e-02 4.64 -6.173437808e-02 4.66 -5.887297822e-02 4.68 -5.608646586e-02 4.70 -5.336181978e-02 4.72 -5.068762820e-02 4.74 -4.805417856e-02 4.76 -4.545359370e-02 4.78 -4.288000927e-02 4.80 -4.032977724e-02 4.82 -3.780167164e-02 4.84 -3.529706034e-02 4.86 -3.282000341e-02 4.88 -3.037723468e-02 4.90 -2.797798609e-02 4.92 -2.563362397e-02 4.94 -2.335709734e-02 4.96 -2.116222007e-02 4.98 -1.906283132e-02 5.00 -1.707192453e-02 5.02 -1.520082969e-02 5.04 -1.345852878e-02 5.06 -1.185117678e-02 5.08 -1.038169180e-02 5.10 -9.049999774e-03 5.12 -7.853532731e-03 5.14 -6.787206758e-03 5.16 -5.843936610e-03 5.18 -5.015191910e-03 5.20 -4.291535345e-03 5.22 -3.663103803e-03 5.24 -3.120009548e-03 5.26 -2.652652685e-03 5.28 -2.251946911e-03 5.30 -1.909467524e-03 5.32 -1.617534384e-03 5.34 -1.369243589e-03 5.36 -1.158461046e-03 5.38 -9.797895164e-04 5.40 -8.285186551e-04 5.42 -7.005655243e-04 5.44 -5.924111146e-04 5.46 -5.010368089e-04 5.48 -4.238634039e-04 5.50 -3.586943020e-04 5.52 -3.036637419e-04 5.54 -2.571904088e-04 5.56 -2.179364088e-04 5.58 -1.847713642e-04 5.60 -1.567412526e-04 5.62 -1.330415446e-04 5.64 -1.129941747e-04 5.66 -9.602788545e-05 5.68 -8.166151088e-05 5.70 -6.948980247e-05 5.72 -5.917143808e-05 5.74 -5.041889746e-05 5.76 -4.298992625e-05 5.78 -3.668034765e-05 5.80 -3.131801433e-05 5.82 -2.675772292e-05 5.84 -2.287693979e-05 5.86 -1.957220963e-05 5.88 -1.675613811e-05 5.90 -1.435485697e-05 5.92 -1.230589397e-05 5.94 -1.055638290e-05 5.96 -9.061558833e-06 5.98 -7.783492724e-06 6.00 -6.690026996e-06