# 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 = FeNi2 # 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 1.665661178e+02 1.16 1.517435945e+02 1.18 1.382305523e+02 1.20 1.259026705e+02 1.22 1.146492917e+02 1.24 1.043733304e+02 1.26 9.498866579e+01 1.28 8.641663662e+01 1.30 7.858312133e+01 1.32 7.141789766e+01 1.34 6.485676366e+01 1.36 5.884383685e+01 1.38 5.333146909e+01 1.40 4.827834112e+01 1.42 4.364763849e+01 1.44 3.940598745e+01 1.46 3.552280521e+01 1.48 3.196968260e+01 1.50 2.872033603e+01 1.52 2.575035656e+01 1.54 2.303708854e+01 1.56 2.055946751e+01 1.58 1.829773043e+01 1.60 1.623330998e+01 1.62 1.434908196e+01 1.64 1.262968204e+01 1.66 1.106148702e+01 1.68 9.632199764e+00 1.70 8.330306155e+00 1.72 7.144694455e+00 1.74 6.064585462e+00 1.76 5.079767117e+00 1.78 4.180977639e+00 1.80 3.360203848e+00 1.82 2.610738709e+00 1.84 1.927002640e+00 1.86 1.304236193e+00 1.88 7.381825855e-01 1.90 2.248385057e-01 1.92 -2.396984092e-01 1.94 -6.592902675e-01 1.96 -1.037745784e+00 1.98 -1.378758258e+00 2.00 -1.685825311e+00 2.02 -1.962177130e+00 2.04 -2.210725983e+00 2.06 -2.434038257e+00 2.08 -2.634328588e+00 2.10 -2.813477492e+00 2.12 -2.973072369e+00 2.14 -3.114467206e+00 2.16 -3.238853172e+00 2.18 -3.347328908e+00 2.20 -3.440957524e+00 2.22 -3.520822928e+00 2.24 -3.588048027e+00 2.26 -3.643786502e+00 2.28 -3.689197992e+00 2.30 -3.725352310e+00 2.32 -3.752826821e+00 2.34 -3.772092034e+00 2.36 -3.783692905e+00 2.38 -3.788199353e+00 2.40 -3.786156740e+00 2.42 -3.778052490e+00 2.44 -3.764307416e+00 2.46 -3.745286062e+00 2.48 -3.721284952e+00 2.50 -3.692444377e+00 2.52 -3.658898844e+00 2.54 -3.620822447e+00 2.56 -3.578416427e+00 2.58 -3.531899274e+00 2.60 -3.481500986e+00 2.62 -3.427462587e+00 2.64 -3.370041346e+00 2.66 -3.309521029e+00 2.68 -3.246224832e+00 2.70 -3.180526580e+00 2.72 -3.112854239e+00 2.74 -3.043680102e+00 2.76 -2.973495338e+00 2.78 -2.902772447e+00 2.80 -2.831924860e+00 2.82 -2.761275165e+00 2.84 -2.691040373e+00 2.86 -2.621336116e+00 2.88 -2.552195357e+00 2.90 -2.483593976e+00 2.92 -2.415476071e+00 2.94 -2.347774377e+00 2.96 -2.280424153e+00 2.98 -2.213371042e+00 3.00 -2.146574503e+00 3.02 -2.080008658e+00 3.04 -2.013662127e+00 3.06 -1.947537964e+00 3.08 -1.881654306e+00 3.10 -1.816045895e+00 3.12 -1.750766296e+00 3.14 -1.685890411e+00 3.16 -1.621516742e+00 3.18 -1.557768804e+00 3.20 -1.494795090e+00 3.22 -1.432767110e+00 3.24 -1.371875161e+00 3.26 -1.312321766e+00 3.28 -1.254313089e+00 3.30 -1.198048933e+00 3.32 -1.143712302e+00 3.34 -1.091459616e+00 3.36 -1.041412684e+00 3.38 -9.936532640e-01 3.40 -9.482206671e-01 3.42 -9.051124221e-01 3.44 -8.642875896e-01 3.46 -8.256720512e-01 3.48 -7.891649640e-01 3.50 -7.546456039e-01 3.52 -7.219799547e-01 3.54 -6.910265967e-01 3.56 -6.616416550e-01 3.58 -6.336827458e-01 3.60 -6.070119965e-01 3.62 -5.814983042e-01 3.64 -5.570190428e-01 3.66 -5.334614346e-01 3.68 -5.107237834e-01 3.70 -4.887167168e-01 3.72 -4.673645181e-01 3.74 -4.466065393e-01 3.76 -4.263985779e-01 3.78 -4.067139955e-01 3.80 -3.875442595e-01 3.82 -3.688985443e-01 3.84 -3.508020659e-01 3.86 -3.332929630e-01 3.88 -3.164177764e-01 3.90 -3.002258801e-01 3.92 -2.847634864e-01 3.94 -2.700680084e-01 3.96 -2.561635429e-01 3.98 -2.430580309e-01 4.00 -2.307423268e-01 4.02 -2.191910492e-01 4.04 -2.083648293e-01 4.06 -1.982133648e-01 4.08 -1.886781514e-01 4.10 -1.796976301e-01 4.12 -1.712089203e-01 4.14 -1.631496661e-01 4.16 -1.554598814e-01 4.18 -1.480832149e-01 4.20 -1.409677766e-01 4.22 -1.340666708e-01 4.24 -1.273383683e-01 4.26 -1.207470205e-01 4.28 -1.142627901e-01 4.30 -1.078622293e-01 4.32 -1.015287079e-01 4.34 -9.525284711e-02 4.36 -8.903288998e-02 4.38 -8.287490381e-02 4.40 -7.679270153e-02 4.42 -7.080737033e-02 4.44 -6.494632624e-02 4.46 -5.924186694e-02 4.48 -5.372926919e-02 4.50 -4.844455825e-02 4.52 -4.342214628e-02 4.54 -3.869257774e-02 4.56 -3.428061810e-02 4.58 -3.020387686e-02 4.60 -2.647207639e-02 4.62 -2.308698346e-02 4.64 -2.004293326e-02 4.66 -1.732780607e-02 4.68 -1.492429229e-02 4.70 -1.281128239e-02 4.72 -1.096521037e-02 4.74 -9.360766930e-03 4.76 -7.973257306e-03 4.78 -6.778795419e-03 4.80 -5.754509659e-03 4.82 -4.879039849e-03 4.84 -4.132826271e-03 4.86 -3.498238873e-03 4.88 -2.959589492e-03 4.90 -2.503063769e-03 4.92 -2.116601900e-03 4.94 -1.789750459e-03 4.96 -1.513501496e-03 4.98 -1.280130172e-03 5.00 -1.083038340e-03 5.02 -9.166085942e-04 5.04 -7.760712045e-04 5.06 -6.573849004e-04 5.08 -5.571314945e-04 5.10 -4.724237196e-04 5.12 -4.008252992e-04 5.14 -3.402820952e-04 5.16 -2.890631184e-04 5.18 -2.457102134e-04 5.20 -2.089952925e-04 5.22 -1.778840914e-04 5.24 -1.515055225e-04 5.26 -1.291258090e-04 5.28 -1.101266849e-04 5.30 -9.398704225e-05 5.32 -8.026749359e-05 5.34 -6.859739390e-05 5.36 -5.866393499e-05 5.38 -5.020298322e-05 5.40 -4.299138262e-05 5.42 -3.684048900e-05 5.44 -3.159073720e-05 5.46 -2.710707567e-05 5.48 -2.327512856e-05 5.50 -1.999796833e-05 5.52 -1.719340061e-05 5.54 -1.479167909e-05 5.56 -1.273358111e-05 5.58 -1.096878645e-05 5.60 -9.454510618e-06 5.62 -8.154352064e-06 5.64 -7.037319294e-06 5.66 -6.077009250e-06 5.68 -5.250913050e-06 5.70 -4.539828946e-06 5.72 -3.927365640e-06 5.74 -3.399521773e-06 5.76 -2.944329672e-06 5.78 -2.551553338e-06 5.80 -2.212432258e-06 5.82 -1.919463935e-06 5.84 -1.666219165e-06 5.86 -1.447185038e-06 5.88 -1.257631397e-06 5.90 -1.093497195e-06 5.92 -9.512937038e-07 5.94 -8.280220435e-07 5.96 -7.211028461e-07 5.98 -6.283162485e-07 6.00 -5.477506557e-07