# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Castin-N-Terentyev-D--Fe-Ni-Cr # implementation = EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000 # composition = Cr2Ni # 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 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 nan 1.16 nan 1.18 nan 1.20 nan 1.22 9.314257229e+02 1.24 7.961471604e+02 1.26 6.839931753e+02 1.28 5.906329260e+02 1.30 5.126251204e+02 1.32 4.472677907e+02 1.34 3.924332682e+02 1.36 3.464149479e+02 1.38 3.073827954e+02 1.40 2.736251703e+02 1.42 2.441825191e+02 1.44 2.183642627e+02 1.46 1.955987313e+02 1.48 1.754141022e+02 1.50 1.574245225e+02 1.52 1.413135789e+02 1.54 1.268157797e+02 1.56 1.137220005e+02 1.58 1.018648508e+02 1.60 9.110424263e+01 1.62 8.132268851e+01 1.64 7.242387032e+01 1.66 6.432305463e+01 1.68 5.694391309e+01 1.70 5.022098495e+01 1.72 4.409745218e+01 1.74 3.852345204e+01 1.76 3.345541075e+01 1.78 2.885507120e+01 1.80 2.468813045e+01 1.82 2.092720674e+01 1.84 1.756325078e+01 1.86 1.459538171e+01 1.88 1.202593799e+01 1.90 9.857085362e+00 1.92 8.080328780e+00 1.94 6.597077313e+00 1.96 5.265636587e+00 1.98 4.022020491e+00 2.00 2.866474022e+00 2.02 1.801266175e+00 2.04 8.327432303e-01 2.06 -3.071112948e-02 2.08 -7.813287712e-01 2.10 -1.412023366e+00 2.12 -1.919542158e+00 2.14 -2.313895529e+00 2.16 -2.608976307e+00 2.18 -2.820369237e+00 2.20 -2.963818253e+00 2.22 -3.054854371e+00 2.24 -3.109009415e+00 2.26 -3.141819758e+00 2.28 -3.168808987e+00 2.30 -3.202439616e+00 2.32 -3.242995415e+00 2.34 -3.287676537e+00 2.36 -3.333290942e+00 2.38 -3.376308528e+00 2.40 -3.413207021e+00 2.42 -3.441266663e+00 2.44 -3.461001614e+00 2.46 -3.473729553e+00 2.48 -3.480762167e+00 2.50 -3.483406086e+00 2.52 -3.482728897e+00 2.54 -3.478855639e+00 2.56 -3.471639483e+00 2.58 -3.460833938e+00 2.60 -3.446205957e+00 2.62 -3.427713948e+00 2.64 -3.405575264e+00 2.66 -3.380018906e+00 2.68 -3.351270048e+00 2.70 -3.319560751e+00 2.72 -3.285126304e+00 2.74 -3.248204253e+00 2.76 -3.209033754e+00 2.78 -3.167854326e+00 2.80 -3.124905776e+00 2.82 -3.080466323e+00 2.84 -3.034967114e+00 2.86 -2.988877444e+00 2.88 -2.942607617e+00 2.90 -2.896399279e+00 2.92 -2.850452830e+00 2.94 -2.804928952e+00 2.96 -2.759972264e+00 2.98 -2.715725465e+00 3.00 -2.672330199e+00 3.02 -2.629926866e+00 3.04 -2.588654414e+00 3.06 -2.548650130e+00 3.08 -2.510001805e+00 3.10 -2.472604693e+00 3.12 -2.436304046e+00 3.14 -2.400951783e+00 3.16 -2.366457422e+00 3.18 -2.332753556e+00 3.20 -2.299788104e+00 3.22 -2.267529884e+00 3.24 -2.235949527e+00 3.26 -2.205018066e+00 3.28 -2.174706930e+00 3.30 -2.144986676e+00 3.32 -2.115791966e+00 3.34 -2.087009858e+00 3.36 -2.058496814e+00 3.38 -2.030102466e+00 3.40 -2.001676817e+00 3.42 -1.973070232e+00 3.44 -1.944133433e+00 3.46 -1.914717495e+00 3.48 -1.884673837e+00 3.50 -1.853854220e+00 3.52 -1.822110737e+00 3.54 -1.789295810e+00 3.56 -1.755262183e+00 3.58 -1.719862912e+00 3.60 -1.683005844e+00 3.62 -1.644817041e+00 3.64 -1.605477340e+00 3.66 -1.565167864e+00 3.68 -1.524074661e+00 3.70 -1.482433513e+00 3.72 -1.440510336e+00 3.74 -1.398571714e+00 3.76 -1.356884465e+00 3.78 -1.315715636e+00 3.80 -1.275332495e+00 3.82 -1.236002501e+00 3.84 -1.197993301e+00 3.86 -1.161514442e+00 3.88 -1.126542563e+00 3.90 -1.092996146e+00 3.92 -1.060793788e+00 3.94 -1.029854143e+00 3.96 -1.000095885e+00 3.98 -9.714376866e-01 4.00 -9.437981624e-01 4.02 -9.170958323e-01 4.04 -8.912490391e-01 4.06 -8.661698533e-01 4.08 -8.417399463e-01 4.10 -8.178312736e-01 4.12 -7.943364227e-01 4.14 -7.712314993e-01 4.16 -7.485128513e-01 4.18 -7.261763796e-01 4.20 -7.042166650e-01 4.22 -6.826266143e-01 4.24 -6.613992313e-01 4.26 -6.405234366e-01 4.28 -6.199895962e-01 4.30 -5.997814964e-01 4.32 -5.798863019e-01 4.34 -5.602803031e-01 4.36 -5.409457807e-01 4.38 -5.218538953e-01 4.40 -5.029700090e-01 4.42 -4.842716720e-01 4.44 -4.657131485e-01 4.46 -4.472957931e-01 4.48 -4.290604975e-01 4.50 -4.109214278e-01 4.52 -3.926648663e-01 4.54 -3.746861704e-01 4.56 -3.573304342e-01 4.58 -3.408448898e-01 4.60 -3.253594346e-01 4.62 -3.103528879e-01 4.64 -2.952809511e-01 4.66 -2.799525726e-01 4.68 -2.632930330e-01 4.70 -2.443861660e-01 4.72 -2.228909459e-01 4.74 -1.993743632e-01 4.76 -1.748236385e-01 4.78 -1.506110297e-01 4.80 -1.277217082e-01 4.82 -1.067331535e-01 4.84 -8.793381385e-02 4.86 -7.141399648e-02 4.88 -5.713400610e-02 4.90 -4.497391368e-02 4.92 -3.476874574e-02 4.94 -2.633233458e-02 4.96 -1.947256492e-02 4.98 -1.400029037e-02 5.00 -9.733775408e-03 5.02 -6.500143518e-03 5.04 -4.134981949e-03 5.06 -2.480965806e-03 5.08 -1.386120953e-03 5.10 -7.021452028e-04 5.12 -2.959779589e-04 5.14 -8.766057651e-05 5.16 -1.095588352e-05 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00