# 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-As # implementation = 2026--Park-J-H--Fe-Cu-As--LAMMPS--ipr1 # composition = As2Fe # 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 3.689814363e+02 0.80 3.436278430e+02 0.82 3.198741115e+02 0.84 2.976249495e+02 0.86 2.767905056e+02 0.88 2.572860685e+02 0.90 2.390317818e+02 0.92 2.219523742e+02 0.94 2.059769054e+02 0.96 1.910385244e+02 0.98 1.770742419e+02 1.00 1.640247144e+02 1.02 1.518340413e+02 1.04 1.404495710e+02 1.06 1.298217200e+02 1.08 1.199037996e+02 1.10 1.106518539e+02 1.12 1.020245057e+02 1.14 9.398281079e+01 1.16 8.649012079e+01 1.18 7.951195290e+01 1.20 7.301586618e+01 1.22 6.697134183e+01 1.24 6.134966122e+01 1.26 5.612376873e+01 1.28 5.126809864e+01 1.30 4.675834300e+01 1.32 4.257115302e+01 1.34 3.868380699e+01 1.36 3.507393547e+01 1.38 3.171944174e+01 1.40 2.859875390e+01 1.42 2.569147331e+01 1.44 2.297935205e+01 1.46 2.044738695e+01 1.48 1.808471794e+01 1.50 1.588501184e+01 1.52 1.384611380e+01 1.54 1.196893314e+01 1.56 1.025574359e+01 1.58 8.708249028e+00 1.60 7.325835908e+00 1.62 6.104376310e+00 1.64 5.035784834e+00 1.66 4.108328517e+00 1.68 3.307514391e+00 1.70 2.617284287e+00 1.72 2.021242085e+00 1.74 1.503707790e+00 1.76 1.050476499e+00 1.78 6.492583464e-01 1.80 2.898416875e-01 1.82 -3.596125837e-02 1.84 -3.345062862e-01 1.86 -6.105813722e-01 1.88 -8.676928998e-01 1.90 -1.108340589e+00 1.92 -1.334262126e+00 1.94 -1.546639174e+00 1.96 -1.746263836e+00 1.98 -1.933688826e+00 2.00 -2.109303384e+00 2.02 -2.273268273e+00 2.04 -2.425885413e+00 2.06 -2.567375813e+00 2.08 -2.697963825e+00 2.10 -2.817912358e+00 2.12 -2.927511880e+00 2.14 -3.027073824e+00 2.16 -3.116942184e+00 2.18 -3.197486543e+00 2.20 -3.269097776e+00 2.22 -3.332183319e+00 2.24 -3.387162366e+00 2.26 -3.434461254e+00 2.28 -3.474509189e+00 2.30 -3.507734395e+00 2.32 -3.534560735e+00 2.34 -3.555404810e+00 2.36 -3.570673515e+00 2.38 -3.580762033e+00 2.40 -3.586079044e+00 2.42 -3.588246198e+00 2.44 -3.590730348e+00 2.46 -3.585692989e+00 2.48 -3.575022144e+00 2.50 -3.561238607e+00 2.52 -3.544627674e+00 2.54 -3.525458137e+00 2.56 -3.503982550e+00 2.58 -3.480437582e+00 2.60 -3.455044464e+00 2.62 -3.428009491e+00 2.64 -3.399524575e+00 2.66 -3.369767837e+00 2.68 -3.338904215e+00 2.70 -3.307086093e+00 2.72 -3.274453934e+00 2.74 -3.241136915e+00 2.76 -3.207253550e+00 2.78 -3.172912310e+00 2.80 -3.138212228e+00 2.82 -3.103243479e+00 2.84 -3.068087954e+00 2.86 -3.032819802e+00 2.88 -2.997505956e+00 2.90 -2.962206636e+00 2.92 -2.926975824e+00 2.94 -2.891861725e+00 2.96 -2.856907194e+00 2.98 -2.822150146e+00 3.00 -2.787623944e+00 3.02 -2.753357763e+00 3.04 -2.719376927e+00 3.06 -2.685703239e+00 3.08 -2.652355277e+00 3.10 -2.619348675e+00 3.12 -2.586696391e+00 3.14 -2.554408952e+00 3.16 -2.522494678e+00 3.18 -2.490959902e+00 3.20 -2.459809163e+00 3.22 -2.429045390e+00 3.24 -2.398670075e+00 3.26 -2.368683425e+00 3.28 -2.339084513e+00 3.30 -2.309871405e+00 3.32 -2.281041287e+00 3.34 -2.252590576e+00 3.36 -2.224515026e+00 3.38 -2.196809543e+00 3.40 -2.167656316e+00 3.42 -2.118760459e+00 3.44 -1.997793023e+00 3.46 -1.777194791e+00 3.48 -1.738664048e+00 3.50 -1.715874808e+00 3.52 -1.693441426e+00 3.54 -1.671356170e+00 3.56 -1.649611290e+00 3.58 -1.628199043e+00 3.60 -1.607111718e+00 3.62 -1.586341653e+00 3.64 -1.565881255e+00 3.66 -1.545723018e+00 3.68 -1.525859538e+00 3.70 -1.506283524e+00 3.72 -1.486987811e+00 3.74 -1.467965371e+00 3.76 -1.449209320e+00 3.78 -1.430712927e+00 3.80 -1.412469622e+00 3.82 -1.394472997e+00 3.84 -1.376716815e+00 3.86 -1.359195009e+00 3.88 -1.341901688e+00 3.90 -1.324831139e+00 3.92 -1.304987384e+00 3.94 -1.244006496e+00 3.96 -1.040630812e+00 3.98 -5.661953088e-01 4.00 -3.116892692e-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