# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-Sn # implementation = 2026--Park-J-H--Fe-Cu-Sn--LAMMPS--ipr1 # composition = Cu2Fe # 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 2026-06-16 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 4.380123814e+02 0.80 4.101749870e+02 0.82 3.840678043e+02 0.84 3.595826652e+02 0.86 3.366183408e+02 0.88 3.150800820e+02 0.90 2.948791893e+02 0.92 2.759326130e+02 0.94 2.581625799e+02 0.96 2.414962449e+02 0.98 2.258653671e+02 1.00 2.112060074e+02 1.02 1.974582464e+02 1.04 1.845659219e+02 1.06 1.724763844e+02 1.08 1.611402685e+02 1.10 1.505112806e+02 1.12 1.405460004e+02 1.14 1.312036965e+02 1.16 1.224461535e+02 1.18 1.142375121e+02 1.20 1.065441185e+02 1.22 9.933438505e+01 1.24 9.257865972e+01 1.26 8.624910418e+01 1.28 8.031958020e+01 1.30 7.476554311e+01 1.32 6.956394178e+01 1.34 6.469312248e+01 1.36 6.013273277e+01 1.38 5.586361711e+01 1.40 5.186769257e+01 1.42 4.812779068e+01 1.44 4.462745716e+01 1.46 4.135071487e+01 1.48 3.828181828e+01 1.50 3.540505206e+01 1.52 3.270464159e+01 1.54 3.016484117e+01 1.56 2.777023906e+01 1.58 2.550627145e+01 1.60 2.335987764e+01 1.62 2.132017322e+01 1.64 1.937898536e+01 1.66 1.753110348e+01 1.68 1.577415400e+01 1.70 1.410809842e+01 1.72 1.253444919e+01 1.74 1.105536382e+01 1.76 9.672791589e+00 1.78 8.387810770e+00 1.80 7.200227326e+00 1.82 6.108436575e+00 1.84 5.109498945e+00 1.86 4.199357127e+00 1.88 3.373122096e+00 1.90 2.625369861e+00 1.92 1.950410633e+00 1.94 1.342510501e+00 1.96 7.967162031e-01 1.98 3.522861159e-01 2.00 5.754198941e-02 2.02 -3.518697912e-01 2.04 -7.184984396e-01 2.06 -1.046165128e+00 2.08 -1.338404529e+00 2.10 -1.598464551e+00 2.12 -1.829315021e+00 2.14 -2.033661998e+00 2.16 -2.213965283e+00 2.18 -2.372457386e+00 2.20 -2.511162750e+00 2.22 -2.631916477e+00 2.24 -2.736382058e+00 2.26 -2.826067882e+00 2.28 -2.902342377e+00 2.30 -2.966447798e+00 2.32 -3.019512673e+00 2.34 -3.062563006e+00 2.36 -3.096532329e+00 2.38 -3.122270689e+00 2.40 -3.140552702e+00 2.42 -3.152084742e+00 2.44 -3.157511381e+00 2.46 -3.157421144e+00 2.48 -3.152351677e+00 2.50 -3.142794371e+00 2.52 -3.129198527e+00 2.54 -3.111975094e+00 2.56 -3.091500039e+00 2.58 -3.068117397e+00 2.60 -3.042142010e+00 2.62 -3.013862026e+00 2.64 -2.983541153e+00 2.66 -2.951420707e+00 2.68 -2.917721475e+00 2.70 -2.882645415e+00 2.72 -2.846377204e+00 2.74 -2.809085645e+00 2.76 -2.770924962e+00 2.78 -2.732035980e+00 2.80 -2.692547206e+00 2.82 -2.652575824e+00 2.84 -2.612228598e+00 2.86 -2.571602714e+00 2.88 -2.530786544e+00 2.90 -2.489860353e+00 2.92 -2.448896949e+00 2.94 -2.407962279e+00 2.96 -2.367115983e+00 2.98 -2.326411897e+00 3.00 -2.285898526e+00 3.02 -2.245619471e+00 3.04 -2.205613827e+00 3.06 -2.165916554e+00 3.08 -2.126558810e+00 3.10 -2.087568268e+00 3.12 -2.048969401e+00 3.14 -2.010783751e+00 3.16 -1.973030172e+00 3.18 -1.935725056e+00 3.20 -1.898882546e+00 3.22 -1.862514726e+00 3.24 -1.826631798e+00 3.26 -1.791242248e+00 3.28 -1.756352998e+00 3.30 -1.721969544e+00 3.32 -1.688096084e+00 3.34 -1.654735637e+00 3.36 -1.621890154e+00 3.38 -1.589560171e+00 3.40 -1.554866800e+00 3.42 -1.490597980e+00 3.44 -1.337821170e+00 3.46 -1.104592752e+00 3.48 -1.065999075e+00 3.50 -1.042554327e+00 3.52 -1.019563923e+00 3.54 -9.970235890e-01 3.56 -9.749286788e-01 3.58 -9.532742227e-01 3.60 -9.320549634e-01 3.62 -9.112653920e-01 3.64 -8.908997814e-01 3.66 -8.709522165e-01 3.68 -8.514166225e-01 3.70 -8.322867901e-01 3.72 -8.135563997e-01 3.74 -7.952190428e-01 3.76 -7.772682421e-01 3.78 -7.596974695e-01 3.80 -7.425001627e-01 3.82 -7.256697405e-01 3.84 -7.091996164e-01 3.86 -6.930832111e-01 3.88 -6.773139641e-01 3.90 -6.618853434e-01 3.92 -6.455206924e-01 3.94 -6.121168282e-01 3.96 -5.181582335e-01 3.98 -2.962509394e-01 4.00 -2.002423008e-22 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 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