# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Schopf-D-Brommer-P-Frigan-B-Trebin-H-R--Al-Mn-Pd # implementation = EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003 # composition = Mn2Pd # 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 2022-05-24 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 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 nan 1.16 1.452069032e+02 1.18 1.352178993e+02 1.20 1.262166328e+02 1.22 1.180510950e+02 1.24 1.106033604e+02 1.26 1.037847126e+02 1.28 9.753819883e+01 1.30 9.179087821e+01 1.32 8.646872710e+01 1.34 8.153303409e+01 1.36 7.694536095e+01 1.38 7.264959204e+01 1.40 6.860408455e+01 1.42 6.478765047e+01 1.44 6.117861522e+01 1.46 5.775394944e+01 1.48 5.450750320e+01 1.50 5.145269614e+01 1.52 4.859571862e+01 1.54 4.545090409e+01 1.56 4.118447925e+01 1.58 3.729137510e+01 1.60 3.374653209e+01 1.62 3.054170623e+01 1.64 2.765256789e+01 1.66 2.503122418e+01 1.68 2.262726471e+01 1.70 2.040484174e+01 1.72 1.832285097e+01 1.74 1.638292500e+01 1.76 1.460212754e+01 1.78 1.297080068e+01 1.80 1.147333981e+01 1.82 1.009232768e+01 1.84 8.813679048e+00 1.86 7.628266356e+00 1.88 6.531412475e+00 1.90 5.522279486e+00 1.92 4.603751585e+00 1.94 3.780168920e+00 1.96 3.051892260e+00 1.98 2.411113354e+00 2.00 1.844190847e+00 2.02 1.337493994e+00 2.04 8.806152062e-01 2.06 4.663415756e-01 2.08 8.952240529e-02 2.10 -2.539459505e-01 2.12 -5.674010379e-01 2.14 -8.534162072e-01 2.16 -1.113692288e+00 2.18 -1.349078358e+00 2.20 -1.560126354e+00 2.22 -1.748190939e+00 2.24 -1.916159430e+00 2.26 -2.067908062e+00 2.28 -2.206992438e+00 2.30 -2.335914532e+00 2.32 -2.456364822e+00 2.34 -2.569760331e+00 2.36 -2.677347499e+00 2.38 -2.779786073e+00 2.40 -2.876757027e+00 2.42 -2.967107261e+00 2.44 -3.049359171e+00 2.46 -3.122144737e+00 2.48 -3.184382458e+00 2.50 -3.235244550e+00 2.52 -3.273986053e+00 2.54 -3.299860682e+00 2.56 -3.312125178e+00 2.58 -3.310096310e+00 2.60 -3.293298152e+00 2.62 -3.261695836e+00 2.64 -3.215901570e+00 2.66 -3.157154735e+00 2.68 -3.086993914e+00 2.70 -3.006812657e+00 2.72 -2.917589867e+00 2.74 -2.819891513e+00 2.76 -2.714030517e+00 2.78 -2.600236928e+00 2.80 -2.478775476e+00 2.82 -2.350000821e+00 2.84 -2.214386255e+00 2.86 -2.072532687e+00 2.88 -1.925095533e+00 2.90 -1.772614218e+00 2.92 -1.615301340e+00 2.94 -1.452873999e+00 2.96 -1.284435643e+00 2.98 -1.108286522e+00 3.00 -9.213679262e-01 3.02 -7.174606213e-01 3.04 -4.788470791e-01 3.06 -2.954405589e-01 3.08 -3.234460933e-01 3.10 -3.497480454e-01 3.12 -3.742848693e-01 3.14 -3.970294023e-01 3.16 -4.179896819e-01 3.18 -4.372078856e-01 3.20 -4.547573847e-01 3.22 -4.707379419e-01 3.24 -4.852691275e-01 3.26 -4.984821589e-01 3.28 -5.105105997e-01 3.30 -5.214807874e-01 3.32 -5.315036169e-01 3.34 -5.406703643e-01 3.36 -5.490563943e-01 3.38 -5.567370934e-01 3.40 -5.638183774e-01 3.42 -5.704781327e-01 3.44 -5.770049770e-01 3.46 -5.838129478e-01 3.48 -5.914144218e-01 3.50 -6.003524697e-01 3.52 -6.111146027e-01 3.54 -6.240581330e-01 3.56 -6.393701324e-01 3.58 -6.570691216e-01 3.60 -6.770395573e-01 3.62 -6.990791445e-01 3.64 -7.229412568e-01 3.66 -7.483638238e-01 3.68 -7.750823078e-01 3.70 -8.028248686e-01 3.72 -8.313108209e-01 3.74 -8.602557950e-01 3.76 -8.893767290e-01 3.78 -9.183962669e-01 3.80 -9.470465421e-01 3.82 -9.750723170e-01 3.84 -1.002233518e+00 3.86 -1.028307217e+00 3.88 -1.053089111e+00 3.90 -1.076394605e+00 3.92 -1.098059560e+00 3.94 -1.117940788e+00 3.96 -1.135916328e+00 3.98 -1.151885468e+00 4.00 -1.165768400e+00 4.02 -1.177505357e+00 4.04 -1.187055070e+00 4.06 -1.194392550e+00 4.08 -1.199506446e+00 4.10 -1.202396416e+00 4.12 -1.203070999e+00 4.14 -1.201546274e+00 4.16 -1.197845281e+00 4.18 -1.197989406e+00 4.20 -1.296941280e+00 4.22 -1.367857978e+00 4.24 -1.426896418e+00 4.26 -1.477352102e+00 4.28 -1.520779932e+00 4.30 -1.558140212e+00 4.32 -1.590110712e+00 4.34 -1.617192335e+00 4.36 -1.639775151e+00 4.38 -1.658178411e+00 4.40 -1.672673987e+00 4.42 -1.683500904e+00 4.44 -1.690874807e+00 4.46 -1.694994290e+00 4.48 -1.696045264e+00 4.50 -1.694204007e+00 4.52 -1.689639311e+00 4.54 -1.682514001e+00 4.56 -1.672985968e+00 4.58 -1.661208885e+00 4.60 -1.647332643e+00 4.62 -1.631503609e+00 4.64 -1.613864717e+00 4.66 -1.594555457e+00 4.68 -1.573711763e+00 4.70 -1.551465850e+00 4.72 -1.527945994e+00 4.74 -1.503276290e+00 4.76 -1.477576391e+00 4.78 -1.450961250e+00 4.80 -1.423540860e+00 4.82 -1.395420022e+00 4.84 -1.366698140e+00 4.86 -1.337469035e+00 4.88 -1.307820817e+00 4.90 -1.277835789e+00 4.92 -1.247590407e+00 4.94 -1.217155282e+00 4.96 -1.186595229e+00 4.98 -1.155969387e+00 5.00 -1.125331366e+00 5.02 -1.094729451e+00 5.04 -1.064206844e+00 5.06 -1.033801954e+00 5.08 -1.003548702e+00 5.10 -9.734768806e-01 5.12 -9.436125247e-01 5.14 -9.139782678e-01 5.16 -8.845937602e-01 5.18 -8.554760526e-01 5.20 -8.266400046e-01 5.22 -7.980986555e-01 5.24 -7.698635383e-01 5.26 -7.419451286e-01 5.28 -7.143530720e-01 5.30 -6.870965808e-01 5.32 -6.601846157e-01 5.34 -6.336260673e-01 5.36 -6.074301020e-01 5.38 -5.816062268e-01 5.40 -5.561645668e-01 5.42 -5.311155908e-01 5.44 -5.064705649e-01 5.46 -4.822413694e-01 5.48 -4.584414616e-01 5.50 -4.350835890e-01 5.52 -4.121826255e-01 5.54 -3.897531876e-01 5.56 -3.678132081e-01 5.58 -3.463783248e-01 5.60 -3.254668693e-01 5.62 -3.050979849e-01 5.64 -2.852912444e-01 5.66 -2.660661510e-01 5.68 -2.474418525e-01 5.70 -2.294367656e-01 5.72 -2.120684395e-01 5.74 -1.953539254e-01 5.76 -1.793054395e-01 5.78 -1.639353080e-01 5.80 -1.492549269e-01 5.82 -1.352705222e-01 5.84 -1.219884092e-01 5.86 -1.094118018e-01 5.88 -9.754128678e-02 5.90 -8.637622048e-02 5.92 -7.591207199e-02 5.94 -6.614379860e-02 5.96 -5.706250557e-02 5.98 -4.865836556e-02 6.00 -4.091838557e-02