# 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 = AgCu2 # 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 4.931271295e+02 0.92 4.578055598e+02 0.94 4.250004081e+02 0.96 3.945275540e+02 0.98 3.662169128e+02 1.00 3.399113221e+02 1.02 3.154655187e+02 1.04 2.927451993e+02 1.06 2.716261576e+02 1.08 2.519934914e+02 1.10 2.337408740e+02 1.12 2.167698849e+02 1.14 2.009893945e+02 1.16 1.863149981e+02 1.18 1.726684966e+02 1.20 1.599774179e+02 1.22 1.481745771e+02 1.24 1.371976722e+02 1.26 1.269889121e+02 1.28 1.174946734e+02 1.30 1.086651863e+02 1.32 1.004542432e+02 1.34 9.281893211e+01 1.36 8.571939051e+01 1.38 7.911857811e+01 1.40 7.298206799e+01 1.42 6.727785392e+01 1.44 6.197617245e+01 1.46 5.704933907e+01 1.48 5.247159683e+01 1.50 4.821897659e+01 1.52 4.426916813e+01 1.54 4.060140094e+01 1.56 3.719633405e+01 1.58 3.403595434e+01 1.60 3.110348229e+01 1.62 2.838328489e+01 1.64 2.586079508e+01 1.66 2.352243707e+01 1.68 2.135555718e+01 1.70 1.934835986e+01 1.72 1.748984819e+01 1.74 1.576976890e+01 1.76 1.417856115e+01 1.78 1.270730946e+01 1.80 1.134769934e+01 1.82 1.009197635e+01 1.84 8.932908376e+00 1.86 7.863750203e+00 1.88 6.878210661e+00 1.90 5.970422114e+00 1.92 5.134912027e+00 1.94 4.366576498e+00 1.96 3.660655652e+00 1.98 3.012710681e+00 2.00 2.418602455e+00 2.02 1.874471630e+00 2.04 1.376720039e+00 2.06 9.219933889e-01 2.08 5.071651029e-01 2.10 1.293212301e-01 2.12 -2.142536113e-01 2.14 -5.260927577e-01 2.16 -8.085672417e-01 2.18 -1.063816373e+00 2.20 -1.293921346e+00 2.22 -1.500789113e+00 2.24 -1.686190652e+00 2.26 -1.851774015e+00 2.28 -1.999072471e+00 2.30 -2.129512128e+00 2.32 -2.244419054e+00 2.34 -2.345025937e+00 2.36 -2.432478304e+00 2.38 -2.507840351e+00 2.40 -2.572100378e+00 2.42 -2.626175880e+00 2.44 -2.670918312e+00 2.46 -2.707109988e+00 2.48 -2.734455826e+00 2.50 -2.744448524e+00 2.52 -2.760136244e+00 2.54 -2.769932903e+00 2.56 -2.774373003e+00 2.58 -2.774048598e+00 2.60 -2.770287285e+00 2.62 -2.762255441e+00 2.64 -2.749985529e+00 2.66 -2.734487382e+00 2.68 -2.716091365e+00 2.70 -2.695101976e+00 2.72 -2.671799676e+00 2.74 -2.646442599e+00 2.76 -2.619268150e+00 2.78 -2.590494489e+00 2.80 -2.560321925e+00 2.82 -2.528934209e+00 2.84 -2.496499743e+00 2.86 -2.463172701e+00 2.88 -2.429094088e+00 2.90 -2.394392708e+00 2.92 -2.359186081e+00 2.94 -2.323581288e+00 2.96 -2.287675762e+00 2.98 -2.251558021e+00 3.00 -2.215308353e+00 3.02 -2.178663121e+00 3.04 -2.137490833e+00 3.06 -2.089568882e+00 3.08 -2.054054212e+00 3.10 -2.018953731e+00 3.12 -1.984051853e+00 3.14 -1.949385595e+00 3.16 -1.914987826e+00 3.18 -1.880887613e+00 3.20 -1.847110549e+00 3.22 -1.813679047e+00 3.24 -1.780612617e+00 3.26 -1.747928121e+00 3.28 -1.715640007e+00 3.30 -1.683760530e+00 3.32 -1.652299948e+00 3.34 -1.621266710e+00 3.36 -1.590667623e+00 3.38 -1.560508013e+00 3.40 -1.530791867e+00 3.42 -1.501521963e+00 3.44 -1.472699997e+00 3.46 -1.444326688e+00 3.48 -1.416401887e+00 3.50 -1.388924666e+00 3.52 -1.361893407e+00 3.54 -1.335305875e+00 3.56 -1.309159298e+00 3.58 -1.283450424e+00 3.60 -1.258175584e+00 3.62 -1.233330747e+00 3.64 -1.208911568e+00 3.66 -1.184913430e+00 3.68 -1.161331490e+00 3.70 -1.138160709e+00 3.72 -1.115395890e+00 3.74 -1.093031704e+00 3.76 -1.071062719e+00 3.78 -1.049483423e+00 3.80 -1.028288245e+00 3.82 -1.007471575e+00 3.84 -9.870277802e-01 3.86 -9.669512188e-01 3.88 -9.472362559e-01 3.90 -9.278772737e-01 3.92 -9.088686815e-01 3.94 -8.902049253e-01 3.96 -8.718804950e-01 3.98 -8.538899311e-01 4.00 -8.362278308e-01 4.02 -8.188888522e-01 4.04 -8.018677184e-01 4.06 -7.851592211e-01 4.08 -7.687582229e-01 4.10 -7.526596595e-01 4.12 -7.368585411e-01 4.14 -7.213499537e-01 4.16 -7.061290599e-01 4.18 -6.911910986e-01 4.20 -6.765313861e-01 4.22 -6.621453150e-01 4.24 -6.480283540e-01 4.26 -6.338294568e-01 4.28 -6.124811393e-01 4.30 -5.635384579e-01 4.32 -4.768470586e-01 4.34 -4.440481531e-01 4.36 -4.342674654e-01 4.38 -4.246878778e-01 4.40 -4.153052457e-01 4.42 -4.061155217e-01 4.44 -3.971147536e-01 4.46 -3.882990821e-01 4.48 -3.796647389e-01 4.50 -3.712080438e-01 4.52 -3.629254029e-01 4.54 -3.548133063e-01 4.56 -3.468683256e-01 4.58 -3.390871118e-01 4.60 -3.314663933e-01 4.62 -3.240029734e-01 4.64 -3.166937282e-01 4.66 -3.095356047e-01 4.68 -3.025256187e-01 4.70 -2.956608526e-01 4.72 -2.889384535e-01 4.74 -2.823556317e-01 4.76 -2.759096581e-01 4.78 -2.695978630e-01 4.80 -2.634176341e-01 4.82 -2.573664147e-01 4.84 -2.514417024e-01 4.86 -2.456410471e-01 4.88 -2.399620496e-01 4.90 -2.344023605e-01 4.92 -2.284164949e-01 4.94 -2.151736906e-01 4.96 -1.773370442e-01 4.98 -9.459386337e-02 5.00 -8.926041845e-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