# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--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 nan 1.00 5.082410523e+04 1.02 4.002261948e+04 1.04 3.165823636e+04 1.06 2.514965862e+04 1.08 2.006154267e+04 1.10 1.606607154e+04 1.12 1.291510183e+04 1.14 1.041984898e+04 1.16 8.435986669e+03 1.18 6.852658717e+03 1.20 5.584331622e+03 1.22 4.564722412e+03 1.24 3.742249048e+03 1.26 3.076606248e+03 1.28 2.536175965e+03 1.30 2.096059569e+03 1.32 1.736577999e+03 1.34 1.442122278e+03 1.36 1.200268363e+03 1.38 1.001094287e+03 1.40 8.366507693e+02 1.42 7.005487201e+02 1.44 5.876372880e+02 1.46 4.937519900e+02 1.48 4.155162914e+02 1.50 3.501851597e+02 1.52 2.955206896e+02 1.54 2.496936858e+02 1.56 2.112050117e+02 1.58 1.788228952e+02 1.60 1.515331481e+02 1.62 1.284986576e+02 1.64 1.090265683e+02 1.66 9.254235417e+01 1.68 7.856863892e+01 1.70 6.670795792e+01 1.72 5.662880443e+01 1.74 4.805421480e+01 1.76 4.075229035e+01 1.78 3.452838977e+01 1.80 2.921894557e+01 1.82 2.468633798e+01 1.84 2.081447714e+01 1.86 1.750532523e+01 1.88 1.467602683e+01 1.90 1.225647678e+01 1.92 1.018730111e+01 1.94 8.418055364e+00 1.96 6.905721917e+00 1.98 5.613513190e+00 2.00 4.510040378e+00 2.02 3.568521861e+00 2.04 2.766087133e+00 2.06 2.083103840e+00 2.08 1.502749126e+00 2.10 1.010602011e+00 2.12 5.942796021e-01 2.14 2.431454864e-01 2.16 -5.193628970e-02 2.18 -2.988091217e-01 2.20 -5.041996179e-01 2.22 -6.738922412e-01 2.24 -8.129440526e-01 2.26 -9.257282836e-01 2.28 -1.016005213e+00 2.30 -1.087007596e+00 2.32 -1.141507557e+00 2.34 -1.181873925e+00 2.36 -1.210174005e+00 2.38 -1.228261029e+00 2.40 -1.237745441e+00 2.42 -1.240019292e+00 2.44 -1.236282850e+00 2.46 -1.227567294e+00 2.48 -1.214754031e+00 2.50 -1.198591118e+00 2.52 -1.179707208e+00 2.54 -1.158623340e+00 2.56 -1.135762981e+00 2.58 -1.111480918e+00 2.60 -1.086100421e+00 2.62 -1.059884610e+00 2.64 -1.033048460e+00 2.66 -1.005804362e+00 2.68 -9.783459375e-01 2.70 -9.508369454e-01 2.72 -9.234055732e-01 2.74 -8.961502154e-01 2.76 -8.691520814e-01 2.78 -8.424776663e-01 2.80 -8.161805044e-01 2.82 -7.903026343e-01 2.84 -7.648758130e-01 2.86 -7.399225149e-01 2.88 -7.154611835e-01 2.90 -6.915167128e-01 2.92 -6.681122353e-01 2.94 -6.452675202e-01 2.96 -6.229994308e-01 2.98 -6.013222859e-01 3.00 -5.802481357e-01 3.02 -5.597869640e-01 3.04 -5.399468258e-01 3.06 -5.207339276e-01 3.08 -5.021526589e-01 3.10 -4.842055792e-01 3.12 -4.668933686e-01 3.14 -4.502147431e-01 3.16 -4.341662923e-01 3.18 -4.187390314e-01 3.20 -4.039167980e-01 3.22 -3.896816564e-01 3.24 -3.760141825e-01 3.26 -3.628931891e-01 3.28 -3.502954376e-01 3.30 -3.381953384e-01 3.32 -3.265665227e-01 3.34 -3.153877209e-01 3.36 -3.046377854e-01 3.38 -2.942936930e-01 3.40 -2.843302922e-01 3.42 -2.747200443e-01 3.44 -2.654327612e-01 3.46 -2.564367701e-01 3.48 -2.477148711e-01 3.50 -2.392607913e-01 3.52 -2.310690872e-01 3.54 -2.231348973e-01 3.56 -2.154538739e-01 3.58 -2.080221135e-01 3.60 -2.008360855e-01 3.62 -1.938925597e-01 3.64 -1.871885333e-01 3.66 -1.807211561e-01 3.68 -1.744876557e-01 3.70 -1.684852620e-01 3.72 -1.627111309e-01 3.74 -1.571622679e-01 3.76 -1.518354512e-01 3.78 -1.467271549e-01 3.80 -1.418334714e-01 3.82 -1.371500343e-01 3.84 -1.326719408e-01 3.86 -1.283936742e-01 3.88 -1.243090265e-01 3.90 -1.204110209e-01 3.92 -1.166918343e-01 3.94 -1.131427198e-01 3.96 -1.097539299e-01 3.98 -1.065146387e-01 4.00 -1.034128650e-01 4.02 -1.004353955e-01 4.04 -9.756770785e-02 4.06 -9.479566144e-02 4.08 -9.211320959e-02 4.10 -8.951716609e-02 4.12 -8.700446570e-02 4.14 -8.457215845e-02 4.16 -8.221740527e-02 4.18 -7.993747384e-02 4.20 -7.772973455e-02 4.22 -7.559165654e-02 4.24 -7.352080399e-02 4.26 -7.151483242e-02 4.28 -6.957148521e-02 4.30 -6.768859021e-02 4.32 -6.586405646e-02 4.34 -6.409587106e-02 4.36 -6.238209613e-02 4.38 -6.072086593e-02 4.40 -5.911038401e-02 4.42 -5.754892057e-02 4.44 -5.603480980e-02 4.46 -5.456644747e-02 4.48 -5.314210074e-02 4.50 -5.175937744e-02 4.52 -5.041585406e-02 4.54 -4.910926928e-02 4.56 -4.783751827e-02 4.58 -4.659864706e-02 4.60 -4.539084697e-02 4.62 -4.421244909e-02 4.64 -4.306191878e-02 4.66 -4.193785029e-02 4.68 -4.083896131e-02 4.70 -3.976408774e-02 4.72 -3.871217829e-02 4.74 -3.768228929e-02 4.76 -3.667357950e-02 4.78 -3.568530488e-02 4.80 -3.471681350e-02 4.82 -3.376754043e-02 4.84 -3.283700269e-02 4.86 -3.192479420e-02 4.88 -3.103058080e-02 4.90 -3.015409527e-02 4.92 -2.929513240e-02 4.94 -2.845354410e-02 4.96 -2.762923447e-02 4.98 -2.682215498e-02 5.00 -2.603229965e-02 5.02 -2.525970021e-02 5.04 -2.450442133e-02 5.06 -2.376655587e-02 5.08 -2.304622012e-02 5.10 -2.234354909e-02 5.12 -2.165869184e-02 5.14 -2.099180672e-02 5.16 -2.034303600e-02 5.18 -1.971205593e-02 5.20 -1.909812372e-02 5.22 -1.850055058e-02 5.24 -1.791871605e-02 5.26 -1.735206104e-02 5.28 -1.680008085e-02 5.30 -1.626231822e-02 5.32 -1.573835635e-02 5.34 -1.522781196e-02 5.36 -1.473032833e-02 5.38 -1.424556830e-02 5.40 -1.377320734e-02 5.42 -1.331292660e-02 5.44 -1.286440590e-02 5.46 -1.242731682e-02 5.48 -1.200131569e-02 5.50 -1.158603666e-02 5.52 -1.118108473e-02 5.54 -1.078602878e-02 5.56 -1.040039463e-02 5.58 -1.002365803e-02 5.60 -9.655237745e-03 5.62 -9.294488580e-03 5.64 -8.940694402e-03 5.66 -8.593061195e-03 5.68 -8.250710087e-03 5.70 -7.912670392e-03 5.72 -7.577875141e-03 5.74 -7.245619861e-03 5.76 -6.916159041e-03 5.78 -6.589891682e-03 5.80 -6.267232240e-03 5.82 -5.948607879e-03 5.84 -5.634455719e-03 5.86 -5.325220091e-03 5.88 -5.021349787e-03 5.90 -4.723295314e-03 5.92 -4.431506142e-03 5.94 -4.146427962e-03 5.96 -3.868499930e-03 5.98 -3.598151925e-03 6.00 -3.335801799e-03