# 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 = FeSn2 # 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 6.762683382e+02 0.80 6.360868752e+02 0.82 5.981823725e+02 0.84 5.624297655e+02 0.86 5.287107068e+02 0.88 4.969132116e+02 0.90 4.669313216e+02 0.92 4.386647866e+02 0.94 4.120187617e+02 0.96 3.869035216e+02 0.98 3.632341892e+02 1.00 3.409304781e+02 1.02 3.199164484e+02 1.04 3.001202750e+02 1.06 2.814740239e+02 1.08 2.639134345e+02 1.10 2.473776979e+02 1.12 2.318092211e+02 1.14 2.171533684e+02 1.16 2.033581760e+02 1.18 1.903740570e+02 1.20 1.781535362e+02 1.22 1.666510763e+02 1.24 1.558230612e+02 1.26 1.456279836e+02 1.28 1.360268357e+02 1.30 1.269836396e+02 1.32 1.184659979e+02 1.34 1.104455070e+02 1.36 1.028978871e+02 1.38 9.580272216e+01 1.40 8.914278645e+01 1.42 8.290302358e+01 1.44 7.706932736e+01 1.46 7.162732297e+01 1.48 6.656135147e+01 1.50 6.185381631e+01 1.52 5.748497136e+01 1.54 5.343313866e+01 1.56 4.967526517e+01 1.58 4.618768068e+01 1.60 4.294690871e+01 1.62 3.993040488e+01 1.64 3.711713824e+01 1.66 3.448797731e+01 1.68 3.202588129e+01 1.70 2.971592427e+01 1.72 2.754519321e+01 1.74 2.550260327e+01 1.76 2.357866923e+01 1.78 2.176526357e+01 1.80 2.005538269e+01 1.82 1.844293460e+01 1.84 1.692255472e+01 1.86 1.548945185e+01 1.88 1.413928329e+01 1.90 1.286805618e+01 1.92 1.167205144e+01 1.94 1.054776652e+01 1.96 9.491873249e+00 1.98 8.501187556e+00 2.00 7.572648269e+00 2.02 6.703302772e+00 2.04 5.890297599e+00 2.06 5.130872593e+00 2.08 4.422357485e+00 2.10 3.762170072e+00 2.12 3.147815385e+00 2.14 2.576885375e+00 2.16 2.047058844e+00 2.18 1.556101364e+00 2.20 1.101865085e+00 2.22 6.822883148e-01 2.24 2.953948583e-01 2.26 -6.070693124e-02 2.28 -3.878253540e-01 2.30 -6.876868309e-01 2.32 -9.619375906e-01 2.34 -1.212145563e+00 2.36 -1.439802443e+00 2.38 -1.646325889e+00 2.40 -1.833061847e+00 2.42 -2.001286946e+00 2.44 -2.152210963e+00 2.46 -2.286979316e+00 2.48 -2.406675592e+00 2.50 -2.512324051e+00 2.52 -2.604892141e+00 2.54 -2.685292958e+00 2.56 -2.754387692e+00 2.58 -2.812988004e+00 2.60 -2.861858362e+00 2.62 -2.901718305e+00 2.64 -2.933244644e+00 2.66 -2.957073596e+00 2.68 -2.973802840e+00 2.70 -2.983993497e+00 2.72 -2.988172045e+00 2.74 -2.986832143e+00 2.76 -2.980436394e+00 2.78 -2.969418022e+00 2.80 -2.954182481e+00 2.82 -2.935108991e+00 2.84 -2.912552002e+00 2.86 -2.886842588e+00 2.88 -2.858289775e+00 2.90 -2.827181808e+00 2.92 -2.793787347e+00 2.94 -2.758356610e+00 2.96 -2.721122456e+00 2.98 -2.682301406e+00 3.00 -2.642094622e+00 3.02 -2.600688824e+00 3.04 -2.558257160e+00 3.06 -2.514960039e+00 3.08 -2.470945901e+00 3.10 -2.426351962e+00 3.12 -2.381304908e+00 3.14 -2.335921553e+00 3.16 -2.290309461e+00 3.18 -2.244567530e+00 3.20 -2.198786549e+00 3.22 -2.153049714e+00 3.24 -2.107433126e+00 3.26 -2.062006248e+00 3.28 -2.016832345e+00 3.30 -1.971968892e+00 3.32 -1.927467964e+00 3.34 -1.883376598e+00 3.36 -1.839737132e+00 3.38 -1.796587117e+00 3.40 -1.751277096e+00 3.42 -1.678780401e+00 3.44 -1.528006087e+00 3.46 -1.317101868e+00 3.48 -1.272313744e+00 3.50 -1.239882996e+00 3.52 -1.207997521e+00 3.54 -1.176667916e+00 3.56 -1.145902875e+00 3.58 -1.115709333e+00 3.60 -1.086092604e+00 3.62 -1.057056512e+00 3.64 -1.028603511e+00 3.66 -1.000734799e+00 3.68 -9.734504192e-01 3.70 -9.467493648e-01 3.72 -9.206296664e-01 3.74 -8.950884798e-01 3.76 -8.701221653e-01 3.78 -8.457263631e-01 3.80 -8.218960622e-01 3.82 -7.986256655e-01 3.84 -7.759090500e-01 3.86 -7.537396229e-01 3.88 -7.321103737e-01 3.90 -7.110139224e-01 3.92 -6.897021618e-01 3.94 -6.584337693e-01 3.96 -5.838201509e-01 3.98 -3.738048849e-01 4.00 -3.275366224e-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