# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = Co2Ni # 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 -4.176289401e+02 0.94 -3.884778139e+02 0.96 -3.613912120e+02 0.98 -3.370822055e+02 1.00 -3.152575732e+02 1.02 -2.956522858e+02 1.04 -2.772190307e+02 1.06 -2.598964389e+02 1.08 -2.438059288e+02 1.10 -2.286231769e+02 1.12 -2.140177338e+02 1.14 -1.998123545e+02 1.16 -1.860761644e+02 1.18 -1.730392930e+02 1.20 -1.610763446e+02 1.22 -1.503948147e+02 1.24 -1.409270100e+02 1.26 -1.322081677e+02 1.28 -1.244365501e+02 1.30 -1.170760389e+02 1.32 -1.101042265e+02 1.34 -1.033980970e+02 1.36 -9.701668640e+01 1.38 -9.090527373e+01 1.40 -8.522193698e+01 1.42 -7.964125507e+01 1.44 -7.407621764e+01 1.46 -6.864718437e+01 1.48 -6.314533583e+01 1.50 -5.767086779e+01 1.52 -5.228575289e+01 1.54 -4.698504700e+01 1.56 -4.172751020e+01 1.58 -3.653616163e+01 1.60 -3.129784385e+01 1.62 -2.602809496e+01 1.64 -2.081763110e+01 1.66 -1.586180525e+01 1.68 -1.110470502e+01 1.70 -7.242861152e+00 1.72 -4.439138231e+00 1.74 -2.514590219e+00 1.76 -1.223895098e+00 1.78 -4.188603955e-01 1.80 3.766134654e-02 1.82 2.575143930e-01 1.84 3.332697309e-01 1.86 3.331122820e-01 1.88 2.745193654e-01 1.90 1.342677307e-01 1.92 -8.997298133e-02 1.94 -3.724203339e-01 1.96 -6.811073308e-01 1.98 -9.925134110e-01 2.00 -1.286766343e+00 2.02 -1.554452248e+00 2.04 -1.801949237e+00 2.06 -2.028910907e+00 2.08 -2.239314315e+00 2.10 -2.437109358e+00 2.12 -2.625795712e+00 2.14 -2.787844884e+00 2.16 -2.947382593e+00 2.18 -3.093326943e+00 2.20 -3.222236277e+00 2.22 -3.331574936e+00 2.24 -3.421630554e+00 2.26 -3.493665717e+00 2.28 -3.549652359e+00 2.30 -3.592152624e+00 2.32 -3.624073622e+00 2.34 -3.639388913e+00 2.36 -3.651870658e+00 2.38 -3.659059962e+00 2.40 -3.650996876e+00 2.42 -3.642676161e+00 2.44 -3.629106029e+00 2.46 -3.610838564e+00 2.48 -3.588546993e+00 2.50 -3.562980174e+00 2.52 -3.534299612e+00 2.54 -3.502280071e+00 2.56 -3.466727117e+00 2.58 -3.427550320e+00 2.60 -3.382913452e+00 2.62 -3.335593508e+00 2.64 -3.284952405e+00 2.66 -3.231361662e+00 2.68 -3.175145979e+00 2.70 -3.116633828e+00 2.72 -3.056138910e+00 2.74 -2.993896403e+00 2.76 -2.930222452e+00 2.78 -2.865555415e+00 2.80 -2.800456992e+00 2.82 -2.735484554e+00 2.84 -2.671037673e+00 2.86 -2.607238027e+00 2.88 -2.543850339e+00 2.90 -2.480382947e+00 2.92 -2.416428621e+00 2.94 -2.351327274e+00 2.96 -2.284363841e+00 2.98 -2.215111445e+00 3.00 -2.143024976e+00 3.02 -2.068201502e+00 3.04 -1.991616880e+00 3.06 -1.913534918e+00 3.08 -1.834861939e+00 3.10 -1.756470316e+00 3.12 -1.679266365e+00 3.14 -1.600506112e+00 3.16 -1.526195085e+00 3.18 -1.454976807e+00 3.20 -1.387353900e+00 3.22 -1.323556457e+00 3.24 -1.263633362e+00 3.26 -1.207498717e+00 3.28 -1.154950910e+00 3.30 -1.105697198e+00 3.32 -1.059383334e+00 3.34 -1.015625863e+00 3.36 -9.740736428e-01 3.38 -9.344342274e-01 3.40 -8.964962880e-01 3.42 -8.602022520e-01 3.44 -8.255465594e-01 3.46 -7.925381441e-01 3.48 -7.611821959e-01 3.50 -7.314661731e-01 3.52 -7.033522138e-01 3.54 -6.767765403e-01 3.56 -6.516537427e-01 3.58 -6.278848477e-01 3.60 -6.053634144e-01 3.62 -5.839771135e-01 3.64 -5.636101592e-01 3.66 -5.441623367e-01 3.68 -5.257267329e-01 3.70 -5.080259299e-01 3.72 -4.910599755e-01 3.74 -4.747537896e-01 3.76 -4.590312303e-01 3.78 -4.438147730e-01 3.80 -4.290254067e-01 3.82 -4.145826109e-01 3.84 -4.004039480e-01 3.86 -3.864090089e-01 3.88 -3.725479459e-01 3.90 -3.587870309e-01 3.92 -3.450924845e-01 3.94 -3.314407880e-01 3.96 -3.178274274e-01 3.98 -3.042516430e-01 4.00 -2.907143823e-01 4.02 -2.772184324e-01 4.04 -2.637686037e-01 4.06 -2.503718259e-01 4.08 -2.370370543e-01 4.10 -2.237755228e-01 4.12 -2.106005650e-01 4.14 -1.975219807e-01 4.16 -1.845423254e-01 4.18 -1.716657370e-01 4.20 -1.589037771e-01 4.22 -1.462988064e-01 4.24 -1.339051236e-01 4.26 -1.217788585e-01 4.28 -1.099779239e-01 4.30 -9.856192080e-02 4.32 -8.759150790e-02 4.34 -7.712801224e-02 4.36 -6.723273409e-02 4.38 -5.796616870e-02 4.40 -4.938468876e-02 4.42 -4.155709783e-02 4.44 -3.456602937e-02 4.46 -2.845017680e-02 4.48 -2.321636667e-02 4.50 -1.885488431e-02 4.52 -1.534661625e-02 4.54 -1.263744680e-02 4.56 -1.065486764e-02 4.58 -9.318432183e-03 4.60 -8.532218385e-03 4.62 -8.181054989e-03 4.64 -8.132790110e-03 4.66 -8.247030513e-03 4.68 -8.388763353e-03 4.70 -8.442534222e-03 4.72 -8.324377194e-03 4.74 -7.988112284e-03 4.76 -7.423942092e-03 4.78 -6.644410996e-03 4.80 -5.682661769e-03 4.82 -4.597604190e-03 4.84 -3.457726959e-03 4.86 -2.330082656e-03 4.88 -1.273679516e-03 4.90 -3.342900228e-04 4.92 4.572696029e-04 4.94 1.085919287e-03 4.96 1.561621181e-03 4.98 1.956932260e-03 5.00 2.340182741e-03 5.02 2.759170153e-03 5.04 3.240457745e-03 5.06 3.791210574e-03 5.08 4.402567190e-03 5.10 5.055627158e-03 5.12 5.727882040e-03 5.14 6.398942418e-03 5.16 7.056775980e-03 5.18 7.702068541e-03 5.20 6.197562612e-03 5.22 6.056488248e-03 5.24 5.821128461e-03 5.26 5.536919575e-03 5.28 5.248047077e-03 5.30 4.990235993e-03 5.32 4.785384714e-03 5.34 4.638941551e-03 5.36 4.540552133e-03 5.38 4.468215004e-03 5.40 4.393937059e-03 5.42 4.290271286e-03 5.44 4.136019901e-03 5.46 3.919607999e-03 5.48 3.640588464e-03 5.50 3.309025639e-03 5.52 2.943561851e-03 5.54 2.563660126e-03 5.56 2.180088027e-03 5.58 1.804108489e-03 5.60 1.447147068e-03 5.62 1.119722285e-03 5.64 8.302930432e-04 5.66 5.847343511e-04 5.68 3.859728640e-04 5.70 2.339679427e-04 5.72 1.259206471e-04 5.74 5.651726044e-05 5.76 1.848334755e-05 5.78 2.975650496e-06 5.80 8.272099975e-09 5.82 -9.666239381e-07 5.84 -1.065041754e-05 5.86 -3.974169770e-05 5.88 -9.898462274e-05 5.90 -1.990552545e-04 5.92 -3.506261392e-04 5.94 -5.643609453e-04 5.96 -8.508490009e-04 5.98 -1.220492766e-03 6.00 -7.974950508e-04