# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Ni-Al-Co # implementation = 2015--Purja-Pun-G-P--Ni-Al-Co--LAMMPS--ipr1 # composition = CoNi2 # 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 1.431152978e+04 1.00 1.270904337e+04 1.02 1.124134921e+04 1.04 9.890371224e+03 1.06 8.642422687e+03 1.08 7.484169962e+03 1.10 6.406254033e+03 1.12 5.399651554e+03 1.14 4.459603917e+03 1.16 3.579822594e+03 1.18 2.758546479e+03 1.20 2.216057342e+03 1.22 1.948801270e+03 1.24 1.808780025e+03 1.26 1.694389325e+03 1.28 1.578637106e+03 1.30 1.463803562e+03 1.32 1.351785163e+03 1.34 1.244046164e+03 1.36 1.141542183e+03 1.38 1.044773378e+03 1.40 9.540146059e+02 1.42 8.693364621e+02 1.44 7.905973910e+02 1.46 7.175514807e+02 1.48 6.498459183e+02 1.50 5.871753282e+02 1.52 5.292834085e+02 1.54 4.759322622e+02 1.56 4.268709835e+02 1.58 3.818479649e+02 1.60 3.406063530e+02 1.62 3.028866104e+02 1.64 2.684583942e+02 1.66 2.371217200e+02 1.68 2.086788534e+02 1.70 1.829332513e+02 1.72 1.596978752e+02 1.74 1.387955660e+02 1.76 1.200443611e+02 1.78 1.032450227e+02 1.80 8.820909871e+01 1.82 7.480238139e+01 1.84 6.292201599e+01 1.86 5.245860665e+01 1.88 4.329582959e+01 1.90 3.532047783e+01 1.92 2.842635719e+01 1.94 2.251378794e+01 1.96 1.748966938e+01 1.98 1.326536503e+01 2.00 9.751012553e+00 2.02 6.849353491e+00 2.04 4.463627950e+00 2.06 2.516835396e+00 2.08 9.528263039e-01 2.10 -2.784080852e-01 2.12 -1.228221103e+00 2.14 -1.947147198e+00 2.16 -2.480453776e+00 2.18 -2.868138336e+00 2.20 -3.144898108e+00 2.22 -3.340096102e+00 2.24 -3.477739494e+00 2.26 -3.576346610e+00 2.28 -3.648991572e+00 2.30 -3.703048999e+00 2.32 -3.740410111e+00 2.34 -3.760042092e+00 2.36 -3.761296267e+00 2.38 -3.746268908e+00 2.40 -3.721908644e+00 2.42 -3.698238022e+00 2.44 -3.681746903e+00 2.46 -3.671444866e+00 2.48 -3.662104203e+00 2.50 -3.649184597e+00 2.52 -3.630972221e+00 2.54 -3.607711559e+00 2.56 -3.579729770e+00 2.58 -3.547434913e+00 2.60 -3.511259912e+00 2.62 -3.471651925e+00 2.64 -3.429046521e+00 2.66 -3.383850485e+00 2.68 -3.336420739e+00 2.70 -3.287035564e+00 2.72 -3.235871054e+00 2.74 -3.183035268e+00 2.76 -3.128678450e+00 2.78 -3.072883939e+00 2.80 -3.015773228e+00 2.82 -2.957475072e+00 2.84 -2.898125718e+00 2.86 -2.837864963e+00 2.88 -2.776827027e+00 2.90 -2.715125396e+00 2.92 -2.652830985e+00 2.94 -2.589943063e+00 2.96 -2.526352611e+00 2.98 -2.461800133e+00 3.00 -2.395830538e+00 3.02 -2.327751713e+00 3.04 -2.256619065e+00 3.06 -2.181302833e+00 3.08 -2.100806364e+00 3.10 -2.015000349e+00 3.12 -1.925585308e+00 3.14 -1.836346739e+00 3.16 -1.752041336e+00 3.18 -1.676621315e+00 3.20 -1.611840839e+00 3.22 -1.556715870e+00 3.24 -1.508511734e+00 3.26 -1.465413093e+00 3.28 -1.429109819e+00 3.30 -1.399650861e+00 3.32 -1.375229524e+00 3.34 -1.353194519e+00 3.36 -1.332617766e+00 3.38 -1.313026990e+00 3.40 -1.294162993e+00 3.42 -1.275875302e+00 3.44 -1.258072487e+00 3.46 -1.240696983e+00 3.48 -1.223711732e+00 3.50 -1.207092631e+00 3.52 -1.190824086e+00 3.54 -1.174896279e+00 3.56 -1.159303431e+00 3.58 -1.144042654e+00 3.60 -1.129113166e+00 3.62 -1.114515728e+00 3.64 -1.100252225e+00 3.66 -1.086325342e+00 3.68 -1.072738307e+00 3.70 -1.059494661e+00 3.72 -1.046598058e+00 3.74 -1.034052090e+00 3.76 -1.021860124e+00 3.78 -1.010025154e+00 3.80 -9.985496651e-01 3.82 -9.874355034e-01 3.84 -9.766837595e-01 3.86 -9.662896734e-01 3.88 -9.562649584e-01 3.90 -9.465993659e-01 3.92 -9.372903236e-01 3.94 -9.283340468e-01 3.96 -9.197254853e-01 3.98 -9.114582827e-01 4.00 -9.035247470e-01 4.02 -8.959158350e-01 4.04 -8.886211503e-01 4.06 -8.816289566e-01 4.08 -8.749262032e-01 4.10 -8.684985676e-01 4.12 -8.623305119e-01 4.14 -8.564053553e-01 4.16 -8.507053624e-01 4.18 -8.452118458e-01 4.20 -8.399052852e-01 4.22 -8.347654704e-01 4.24 -8.297716391e-01 4.26 -8.249026410e-01 4.28 -8.201371657e-01 4.30 -8.154538659e-01 4.32 -8.108316201e-01 4.34 -8.062498481e-01 4.36 -8.016885730e-01 4.38 -7.971286658e-01 4.40 -7.925521183e-01 4.42 -7.879426393e-01 4.44 -7.832874279e-01 4.46 -7.785770416e-01 4.48 -7.737974265e-01 4.50 -7.689354437e-01 4.52 -7.639821458e-01 4.54 -7.589339294e-01 4.56 -7.537943521e-01 4.58 -7.485640240e-01 4.60 -7.432405509e-01 4.62 -7.378194107e-01 4.64 -7.322917788e-01 4.66 -7.266490295e-01 4.68 -7.208845066e-01 4.70 -7.149917211e-01 4.72 -7.089643791e-01 4.74 -7.027964085e-01 4.76 -6.964819913e-01 4.78 -6.900155964e-01 4.80 -6.833920149e-01 4.82 -6.766063976e-01 4.84 -6.696542935e-01 4.86 -6.625316917e-01 4.88 -6.552350629e-01 4.90 -6.477614028e-01 4.92 -6.401082755e-01 4.94 -6.322738565e-01 4.96 -6.242569765e-01 4.98 -6.160571635e-01 5.00 -6.076746804e-01 5.02 -5.991105639e-01 5.04 -5.903666561e-01 5.06 -5.814456354e-01 5.08 -5.723510349e-01 5.10 -5.630872645e-01 5.12 -5.536596158e-01 5.14 -5.440742662e-01 5.16 -5.343382711e-01 5.18 -5.244595418e-01 5.20 -5.144468110e-01 5.22 -5.043095472e-01 5.24 -4.940578955e-01 5.26 -4.837026243e-01 5.28 -4.732550461e-01 5.30 -4.627269379e-01 5.32 -4.521304620e-01 5.34 -4.414780483e-01 5.36 -4.307822957e-01 5.38 -4.200558668e-01 5.40 -4.093113370e-01 5.42 -3.985610907e-01 5.44 -3.878171878e-01 5.46 -3.770911835e-01 5.48 -3.663940190e-01 5.50 -3.557358755e-01 5.52 -3.451259419e-01 5.54 -3.345722887e-01 5.56 -3.240817249e-01 5.58 -3.136594554e-01 5.60 -3.033088819e-01 5.62 -2.930314202e-01 5.64 -2.828264305e-01 5.66 -2.726903197e-01 5.68 -2.626162506e-01 5.70 -2.525947030e-01 5.72 -2.426121353e-01 5.74 -2.326504264e-01 5.76 -2.226882418e-01 5.78 -2.126954595e-01 5.80 -2.026464465e-01 5.82 -1.924976319e-01 5.84 -1.822178689e-01 5.86 -1.718010642e-01 5.88 -1.612004760e-01 5.90 -1.503028490e-01 5.92 -1.390640004e-01 5.94 -1.275540166e-01 5.96 -1.159458654e-01 5.98 -1.044231450e-01 6.00 -9.318339221e-02