# 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 = 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 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 5.505752408e+04 1.02 4.335864380e+04 1.04 3.429909001e+04 1.06 2.724936257e+04 1.08 2.173801339e+04 1.10 1.741003499e+04 1.12 1.399669879e+04 1.14 1.129355669e+04 1.16 9.144305549e+03 1.18 7.428888073e+03 1.20 6.054669997e+03 1.22 4.949864413e+03 1.24 4.058604959e+03 1.26 3.337237721e+03 1.28 2.751516980e+03 1.30 2.274474230e+03 1.32 1.884793873e+03 1.34 1.565568365e+03 1.36 1.303339658e+03 1.38 1.087359649e+03 1.40 9.090168517e+02 1.42 7.613896918e+02 1.44 6.388978165e+02 1.46 5.370292809e+02 1.48 4.521256461e+02 1.50 3.812125273e+02 1.52 3.218648913e+02 1.54 2.721004598e+02 1.56 2.302945364e+02 1.58 1.951120996e+02 1.60 1.654538605e+02 1.62 1.404123979e+02 1.64 1.192366156e+02 1.66 1.013036406e+02 1.68 8.609587618e+01 1.70 7.318232620e+01 1.72 6.220347282e+01 1.74 5.285890838e+01 1.76 4.489707635e+01 1.78 3.810681253e+01 1.80 3.231063735e+01 1.82 2.735919866e+01 1.84 2.312649071e+01 1.86 1.950608191e+01 1.88 1.640800161e+01 1.90 1.375610373e+01 1.92 1.148587857e+01 1.94 9.542509890e+00 1.96 7.879247368e+00 1.98 6.456106429e+00 2.00 5.238961702e+00 2.02 4.198686607e+00 2.04 3.310398321e+00 2.06 2.552733452e+00 2.08 1.907380402e+00 2.10 1.358636502e+00 2.12 8.930136546e-01 2.14 4.989216388e-01 2.16 1.664008225e-01 2.18 -1.131037823e-01 2.20 -3.469336236e-01 2.22 -5.414056184e-01 2.24 -7.020425453e-01 2.26 -8.336229629e-01 2.28 -9.402591527e-01 2.30 -1.025489797e+00 2.32 -1.092352885e+00 2.34 -1.143448211e+00 2.36 -1.181045437e+00 2.38 -1.207176953e+00 2.40 -1.223610210e+00 2.42 -1.231874730e+00 2.44 -1.233291187e+00 2.46 -1.228996226e+00 2.48 -1.219963619e+00 2.50 -1.207022278e+00 2.52 -1.190871564e+00 2.54 -1.172094272e+00 2.56 -1.151167690e+00 2.58 -1.128493379e+00 2.60 -1.104435107e+00 2.62 -1.079290871e+00 2.64 -1.053305860e+00 2.66 -1.026720559e+00 2.68 -9.997539634e-01 2.70 -9.725921086e-01 2.72 -9.453822467e-01 2.74 -9.182390733e-01 2.76 -8.912581178e-01 2.78 -8.645184636e-01 2.80 -8.380847001e-01 2.82 -8.120085608e-01 2.84 -7.863302870e-01 2.86 -7.610797568e-01 2.88 -7.362820047e-01 2.90 -7.119681437e-01 2.92 -6.881669321e-01 2.94 -6.649031746e-01 2.96 -6.421982477e-01 2.98 -6.200705198e-01 3.00 -5.985356776e-01 3.02 -5.776069729e-01 3.04 -5.572953961e-01 3.06 -5.376097895e-01 3.08 -5.185569049e-01 3.10 -5.001414138e-01 3.12 -4.823658761e-01 3.14 -4.652306715e-01 3.16 -4.487338472e-01 3.18 -4.328675641e-01 3.20 -4.176164504e-01 3.22 -4.029632071e-01 3.24 -3.888889131e-01 3.26 -3.753727505e-01 3.28 -3.623917145e-01 3.30 -3.499203104e-01 3.32 -3.379321216e-01 3.34 -3.264056827e-01 3.36 -3.153194959e-01 3.38 -3.046500271e-01 3.40 -2.943714446e-01 3.42 -2.844553530e-01 3.44 -2.748705212e-01 3.46 -2.655841115e-01 3.48 -2.565784558e-01 3.50 -2.478473320e-01 3.52 -2.393853550e-01 3.54 -2.311877195e-01 3.56 -2.232501316e-01 3.58 -2.155687388e-01 3.60 -2.081400575e-01 3.62 -2.009609001e-01 3.64 -1.940282999e-01 3.66 -1.873394358e-01 3.68 -1.808915558e-01 3.70 -1.746818995e-01 3.72 -1.687076206e-01 3.74 -1.629657083e-01 3.76 -1.574529087e-01 3.78 -1.521656458e-01 3.80 -1.470999420e-01 3.82 -1.422513390e-01 3.84 -1.376148177e-01 3.86 -1.331847187e-01 3.88 -1.289546627e-01 3.90 -1.249174704e-01 3.92 -1.210650829e-01 3.94 -1.173884818e-01 3.96 -1.138776098e-01 3.98 -1.105212908e-01 4.00 -1.073071504e-01 4.02 -1.042215367e-01 4.04 -1.012494407e-01 4.06 -9.837624640e-02 4.08 -9.559571303e-02 4.10 -9.290455838e-02 4.12 -9.029962399e-02 4.14 -8.777786930e-02 4.16 -8.533636725e-02 4.18 -8.297230013e-02 4.20 -8.068295545e-02 4.22 -7.846572199e-02 4.24 -7.631808601e-02 4.26 -7.423762749e-02 4.28 -7.222201662e-02 4.30 -7.026901037e-02 4.32 -6.837644909e-02 4.34 -6.654225341e-02 4.36 -6.476442110e-02 4.38 -6.304102411e-02 4.40 -6.137020570e-02 4.42 -5.975017775e-02 4.44 -5.817921801e-02 4.46 -5.665566766e-02 4.48 -5.517774105e-02 4.50 -5.374299495e-02 4.52 -5.234895646e-02 4.54 -5.099331649e-02 4.56 -4.967392404e-02 4.58 -4.838878047e-02 4.60 -4.713603395e-02 4.62 -4.591397380e-02 4.64 -4.472102504e-02 4.66 -4.355574290e-02 4.68 -4.241680735e-02 4.70 -4.130301782e-02 4.72 -4.021328776e-02 4.74 -3.914663944e-02 4.76 -3.810219863e-02 4.78 -3.707918945e-02 4.80 -3.607692917e-02 4.82 -3.509482309e-02 4.84 -3.413235941e-02 4.86 -3.318910422e-02 4.88 -3.226469645e-02 4.90 -3.135884283e-02 4.92 -3.047131300e-02 4.94 -2.960193450e-02 4.96 -2.875058789e-02 4.98 -2.791720189e-02 5.00 -2.710174848e-02 5.02 -2.630423809e-02 5.04 -2.552471479e-02 5.06 -2.476325149e-02 5.08 -2.401994521e-02 5.10 -2.329491230e-02 5.12 -2.258828375e-02 5.14 -2.190020046e-02 5.16 -2.123078672e-02 5.18 -2.057967751e-02 5.20 -1.994606804e-02 5.22 -1.932921130e-02 5.24 -1.872843331e-02 5.26 -1.814312602e-02 5.28 -1.757274019e-02 5.30 -1.701677832e-02 5.32 -1.647478750e-02 5.34 -1.594635236e-02 5.36 -1.543108791e-02 5.38 -1.492863249e-02 5.40 -1.443864065e-02 5.42 -1.396077602e-02 5.44 -1.349470426e-02 5.46 -1.304008589e-02 5.48 -1.259656927e-02 5.50 -1.216378342e-02 5.52 -1.174133097e-02 5.54 -1.132878101e-02 5.56 -1.092566204e-02 5.58 -1.053145484e-02 5.60 -1.014558537e-02 5.62 -9.767417644e-03 5.64 -9.396246682e-03 5.66 -9.031291360e-03 5.68 -8.671687325e-03 5.70 -8.316479890e-03 5.72 -7.964619431e-03 5.74 -7.615420015e-03 5.76 -7.269155735e-03 5.78 -6.926246120e-03 5.80 -6.587126931e-03 5.82 -6.252247279e-03 5.84 -5.922066733e-03 5.86 -5.597052433e-03 5.88 -5.277676201e-03 5.90 -4.964411653e-03 5.92 -4.657731312e-03 5.94 -4.358103718e-03 5.96 -4.065990539e-03 5.98 -3.781843686e-03 6.00 -3.506102421e-03