# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Ko-W-S-Lee-J-S-Kim-D-H--Ag-Cu-Sn # implementation = 2021--Ko-W-S--Ag-Cu-Sn--LAMMPS--ipr1 # composition = Ag2Cu # 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 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 6.655563601e+02 0.92 6.185002995e+02 0.94 5.747081973e+02 0.96 5.339523562e+02 0.98 4.960212952e+02 1.00 4.607185616e+02 1.02 4.278616330e+02 1.04 3.972809016e+02 1.06 3.688187345e+02 1.08 3.423286054e+02 1.10 3.176742897e+02 1.12 2.947291206e+02 1.14 2.733753005e+02 1.16 2.535032634e+02 1.18 2.350110841e+02 1.20 2.178039323e+02 1.22 2.017935651e+02 1.24 1.868978589e+02 1.26 1.730403741e+02 1.28 1.601499525e+02 1.30 1.481603440e+02 1.32 1.370098604e+02 1.34 1.266410540e+02 1.36 1.170004207e+02 1.38 1.080381232e+02 1.40 9.970773515e+01 1.42 9.196600325e+01 1.44 8.477262656e+01 1.46 7.809005174e+01 1.48 7.188328278e+01 1.50 6.611970423e+01 1.52 6.076891726e+01 1.54 5.580258706e+01 1.56 5.119430115e+01 1.58 4.691943777e+01 1.60 4.295504330e+01 1.62 3.927971847e+01 1.64 3.587351249e+01 1.66 3.271782450e+01 1.68 2.979531194e+01 1.70 2.708980525e+01 1.72 2.458622847e+01 1.74 2.227052536e+01 1.76 2.012959057e+01 1.78 1.815120555e+01 1.80 1.632397886e+01 1.82 1.463729052e+01 1.84 1.308124022e+01 1.86 1.164659905e+01 1.88 1.032476439e+01 1.90 9.107718045e+00 1.92 7.987986825e+00 1.94 6.958606234e+00 1.96 6.013088184e+00 1.98 5.145385308e+00 2.00 4.349864473e+00 2.02 3.621278295e+00 2.04 2.954739332e+00 2.06 2.345696029e+00 2.08 1.789910269e+00 2.10 1.283436393e+00 2.12 8.226016421e-01 2.14 4.039579677e-01 2.16 2.402194702e-02 2.18 -3.195230164e-01 2.20 -6.296683342e-01 2.22 -9.090444359e-01 2.24 -1.160030583e+00 2.26 -1.384838237e+00 2.28 -1.585522367e+00 2.30 -1.763992008e+00 2.32 -1.922020135e+00 2.34 -2.061252874e+00 2.36 -2.183218100e+00 2.38 -2.289333487e+00 2.40 -2.380914006e+00 2.42 -2.459178937e+00 2.44 -2.525258415e+00 2.46 -2.580198463e+00 2.48 -2.624890539e+00 2.50 -2.660140474e+00 2.52 -2.687206965e+00 2.54 -2.706602987e+00 2.56 -2.719038739e+00 2.58 -2.725152385e+00 2.60 -2.725261002e+00 2.62 -2.720217440e+00 2.64 -2.710888275e+00 2.66 -2.697436268e+00 2.68 -2.680297722e+00 2.70 -2.659874330e+00 2.72 -2.636535659e+00 2.74 -2.610621460e+00 2.76 -2.582443821e+00 2.78 -2.552289182e+00 2.80 -2.520420201e+00 2.82 -2.487077500e+00 2.84 -2.452481288e+00 2.86 -2.416832872e+00 2.88 -2.380316067e+00 2.90 -2.343098500e+00 2.92 -2.305332834e+00 2.94 -2.267157897e+00 2.96 -2.228699736e+00 2.98 -2.190072593e+00 3.00 -2.151379821e+00 3.02 -2.112435779e+00 3.04 -2.069934320e+00 3.06 -2.022833403e+00 3.08 -1.985079972e+00 3.10 -1.947812650e+00 3.12 -1.910904027e+00 3.14 -1.874401180e+00 3.16 -1.838345614e+00 3.18 -1.802773713e+00 3.20 -1.767717158e+00 3.22 -1.733203308e+00 3.24 -1.699255555e+00 3.26 -1.665893647e+00 3.28 -1.633133992e+00 3.30 -1.600989923e+00 3.32 -1.569471957e+00 3.34 -1.538588015e+00 3.36 -1.508343640e+00 3.38 -1.478742177e+00 3.40 -1.449784952e+00 3.42 -1.421471426e+00 3.44 -1.393799337e+00 3.46 -1.366764824e+00 3.48 -1.340362548e+00 3.50 -1.314585793e+00 3.52 -1.289426558e+00 3.54 -1.264875645e+00 3.56 -1.240922736e+00 3.58 -1.217556464e+00 3.60 -1.194764479e+00 3.62 -1.172533510e+00 3.64 -1.150849428e+00 3.66 -1.129697303e+00 3.68 -1.109061466e+00 3.70 -1.088925572e+00 3.72 -1.069272664e+00 3.74 -1.050085246e+00 3.76 -1.031345358e+00 3.78 -1.013034663e+00 3.80 -9.951345390e-01 3.82 -9.776261809e-01 3.84 -9.604907116e-01 3.86 -9.437093030e-01 3.88 -9.272633053e-01 3.90 -9.111343843e-01 3.92 -8.953046637e-01 3.94 -8.797568720e-01 3.96 -8.644744888e-01 3.98 -8.494418882e-01 4.00 -8.346444752e-01 4.02 -8.200688093e-01 4.04 -8.057027124e-01 4.06 -7.915353555e-01 4.08 -7.775573201e-01 4.10 -7.637606315e-01 4.12 -7.501387612e-01 4.14 -7.366865980e-01 4.16 -7.234003868e-01 4.18 -7.102776384e-01 4.20 -6.973170122e-01 4.22 -6.845181773e-01 4.24 -6.718816560e-01 4.26 -6.592754009e-01 4.28 -6.439892344e-01 4.30 -6.183966794e-01 4.32 -5.796743575e-01 4.34 -5.607791345e-01 4.36 -5.504808184e-01 4.38 -5.403519294e-01 4.40 -5.303906862e-01 4.42 -5.205951925e-01 4.44 -5.109634550e-01 4.46 -5.014933998e-01 4.48 -4.921828897e-01 4.50 -4.830297401e-01 4.52 -4.740317334e-01 4.54 -4.651866327e-01 4.56 -4.564921932e-01 4.58 -4.479461716e-01 4.60 -4.395463348e-01 4.62 -4.312904661e-01 4.64 -4.231763701e-01 4.66 -4.152018768e-01 4.68 -4.073648443e-01 4.70 -3.996631603e-01 4.72 -3.920947434e-01 4.74 -3.846575438e-01 4.76 -3.773495431e-01 4.78 -3.701687541e-01 4.80 -3.631132207e-01 4.82 -3.561810172e-01 4.84 -3.493702473e-01 4.86 -3.426790440e-01 4.88 -3.361055685e-01 4.90 -3.296480095e-01 4.92 -3.225832416e-01 4.94 -3.057616807e-01 4.96 -2.552744119e-01 4.98 -1.399552769e-01 5.00 -8.880084715e-23 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