# 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_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000 # composition = Al2Mn # 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 2024-11-27 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 nan 1.18 nan 1.20 nan 1.22 nan 1.24 nan 1.26 nan 1.28 nan 1.30 nan 1.32 nan 1.34 nan 1.36 nan 1.38 nan 1.40 nan 1.42 nan 1.44 nan 1.46 nan 1.48 nan 1.50 nan 1.52 nan 1.54 nan 1.56 nan 1.58 nan 1.60 nan 1.62 nan 1.64 nan 1.66 nan 1.68 nan 1.70 nan 1.72 nan 1.74 1.281608157e+01 1.76 1.088755418e+01 1.78 9.095771105e+00 1.80 7.489117331e+00 1.82 6.042737712e+00 1.84 4.745272490e+00 1.86 3.584817854e+00 1.88 2.550856837e+00 1.90 1.633517099e+00 1.92 8.221664210e-01 1.94 1.036808946e-01 1.96 -5.371268227e-01 1.98 -1.113955468e+00 2.00 -1.635840194e+00 2.02 -2.107729888e+00 2.04 -2.533047503e+00 2.06 -2.915435881e+00 2.08 -3.258820800e+00 2.10 -3.566600433e+00 2.12 -3.841417077e+00 2.14 -4.085301789e+00 2.16 -4.300012123e+00 2.18 -4.487611277e+00 2.20 -4.651192666e+00 2.22 -4.794980900e+00 2.24 -4.923403494e+00 2.26 -5.039618185e+00 2.28 -5.144947024e+00 2.30 -5.239464591e+00 2.32 -5.322963594e+00 2.34 -5.395520496e+00 2.36 -5.457573973e+00 2.38 -5.509607367e+00 2.40 -5.552003889e+00 2.42 -5.585064642e+00 2.44 -5.609015952e+00 2.46 -5.624020292e+00 2.48 -5.630173570e+00 2.50 -5.627513229e+00 2.52 -5.616019335e+00 2.54 -5.595632356e+00 2.56 -5.566318046e+00 2.58 -5.528199210e+00 2.60 -5.481746261e+00 2.62 -5.427958439e+00 2.64 -5.368359684e+00 2.66 -5.304681001e+00 2.68 -5.238356534e+00 2.70 -5.170190325e+00 2.72 -5.100374158e+00 2.74 -5.028770364e+00 2.76 -4.955211809e+00 2.78 -4.879674310e+00 2.80 -4.802322106e+00 2.82 -4.723416544e+00 2.84 -4.643212766e+00 2.86 -4.561949036e+00 2.88 -4.479842537e+00 2.90 -4.397090553e+00 2.92 -4.313867649e+00 2.94 -4.230326996e+00 2.96 -4.146599140e+00 2.98 -4.062792655e+00 3.00 -3.978998671e+00 3.02 -3.895291729e+00 3.04 -3.811731345e+00 3.06 -3.728369269e+00 3.08 -3.645250632e+00 3.10 -3.562417973e+00 3.12 -3.479915188e+00 3.14 -3.397788841e+00 3.16 -3.316091276e+00 3.18 -3.234882798e+00 3.20 -3.154226791e+00 3.22 -3.074193123e+00 3.24 -2.994869005e+00 3.26 -2.916290674e+00 3.28 -2.838526789e+00 3.30 -2.761758692e+00 3.32 -2.685993733e+00 3.34 -2.610989250e+00 3.36 -2.536850718e+00 3.38 -2.464217091e+00 3.40 -2.393750361e+00 3.42 -2.325621861e+00 3.44 -2.259666329e+00 3.46 -2.196110719e+00 3.48 -2.135711319e+00 3.50 -2.079394093e+00 3.52 -2.028051103e+00 3.54 -1.982447799e+00 3.56 -1.942760300e+00 3.58 -1.908751893e+00 3.60 -1.880040865e+00 3.62 -1.856184990e+00 3.64 -1.836762777e+00 3.66 -1.821412739e+00 3.68 -1.809838091e+00 3.70 -1.801764506e+00 3.72 -1.796916571e+00 3.74 -1.795008143e+00 3.76 -1.795740295e+00 3.78 -1.798800583e+00 3.80 -1.803886680e+00 3.82 -1.810667084e+00 3.84 -1.818790198e+00 3.86 -1.827895094e+00 3.88 -1.837664087e+00 3.90 -1.847882632e+00 3.92 -1.858377320e+00 3.94 -1.868990226e+00 3.96 -1.879570643e+00 3.98 -1.890035398e+00 4.00 -1.900320719e+00 4.02 -1.910355628e+00 4.04 -1.920100872e+00 4.06 -1.929532020e+00 4.08 -1.938612955e+00 4.10 -1.947291543e+00 4.12 -1.955522683e+00 4.14 -1.963268731e+00 4.16 -1.970489637e+00 4.18 -1.977137826e+00 4.20 -1.983171863e+00 4.22 -1.988559619e+00 4.24 -1.993279285e+00 4.26 -1.997308869e+00 4.28 -2.000630016e+00 4.30 -2.003228099e+00 4.32 -2.005092344e+00 4.34 -2.006213595e+00 4.36 -2.006584564e+00 4.38 -2.006198258e+00 4.40 -2.005049419e+00 4.42 -2.003134436e+00 4.44 -2.000450335e+00 4.46 -1.996995032e+00 4.48 -1.992768557e+00 4.50 -1.987770981e+00 4.52 -1.982002937e+00 4.54 -1.975467335e+00 4.56 -1.968166557e+00 4.58 -1.960104974e+00 4.60 -1.951287264e+00 4.62 -1.941719547e+00 4.64 -1.931408992e+00 4.66 -1.920363327e+00 4.68 -1.908592751e+00 4.70 -1.896107097e+00 4.72 -1.882917829e+00 4.74 -1.869037664e+00 4.76 -1.854480111e+00 4.78 -1.839260437e+00 4.80 -1.823393957e+00 4.82 -1.806898176e+00 4.84 -1.789792087e+00 4.86 -1.772096129e+00 4.88 -1.753832027e+00 4.90 -1.735021980e+00 4.92 -1.715690463e+00 4.94 -1.695863468e+00 4.96 -1.675569415e+00 4.98 -1.654838746e+00 5.00 -1.633701950e+00 5.02 -1.612189569e+00 5.04 -1.590341788e+00 5.06 -1.568202857e+00 5.08 -1.545809344e+00 5.10 -1.523181844e+00 5.12 -1.500342907e+00 5.14 -1.477313027e+00 5.16 -1.454083974e+00 5.18 -1.430615004e+00 5.20 -1.406865858e+00 5.22 -1.382806909e+00 5.24 -1.358371951e+00 5.26 -1.333514263e+00 5.28 -1.308226891e+00 5.30 -1.282454873e+00 5.32 -1.256188062e+00 5.34 -1.229627429e+00 5.36 -1.203038328e+00 5.38 -1.176622563e+00 5.40 -1.150628198e+00 5.42 -1.125318403e+00 5.44 -1.100791956e+00 5.46 -1.077393303e+00 5.48 -1.055484891e+00 5.50 -1.034892010e+00 5.52 -1.015058494e+00 5.54 -9.954968309e-01 5.56 -9.758186488e-01 5.58 -9.554049462e-01 5.60 -9.336946354e-01 5.62 -9.104308148e-01 5.64 -8.853265688e-01 5.66 -8.580767427e-01 5.68 -8.285343192e-01 5.70 -7.969529063e-01 5.72 -7.636109126e-01 5.74 -7.287813130e-01 5.76 -6.927445300e-01 5.78 -6.558503428e-01 5.80 -6.186575733e-01 5.82 -5.816728306e-01 5.84 -5.453154011e-01 5.86 -5.099215013e-01 5.88 -4.756065475e-01 5.90 -4.425583179e-01 5.92 -4.109985298e-01 5.94 -3.810854969e-01 5.96 -3.529240538e-01 5.98 -3.265742061e-01 6.00 -3.020592849e-01