# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgCuNi2 # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 2.950504634e+02 2.950504634e+02 1.00 2.747156626e+02 2.747156626e+02 1.02 2.558176618e+02 2.558176618e+02 1.04 2.382162928e+02 2.382162928e+02 1.06 2.217909123e+02 2.217909123e+02 1.08 2.064447236e+02 2.064447236e+02 1.10 1.920850911e+02 1.920850911e+02 1.12 1.786395893e+02 1.786395893e+02 1.14 1.660406244e+02 1.660406244e+02 1.16 1.542371199e+02 1.542371199e+02 1.18 1.431750447e+02 1.431750447e+02 1.20 1.328138106e+02 1.328138106e+02 1.22 1.231078181e+02 1.231078181e+02 1.24 1.140246213e+02 1.140246213e+02 1.26 1.055264558e+02 1.055264558e+02 1.28 9.757824761e+01 9.757824761e+01 1.30 9.015084932e+01 9.015084932e+01 1.32 8.321341193e+01 8.321341193e+01 1.34 7.673868521e+01 7.673868521e+01 1.36 7.070220779e+01 7.070220779e+01 1.38 6.507813271e+01 6.507813271e+01 1.40 5.984126420e+01 5.984126420e+01 1.42 5.496753711e+01 5.496753711e+01 1.44 5.043733064e+01 5.043733064e+01 1.46 4.622917659e+01 4.622917659e+01 1.48 4.232395034e+01 4.232395034e+01 1.50 3.870474518e+01 3.870474518e+01 1.52 3.535398993e+01 3.535398993e+01 1.54 3.225399747e+01 3.225399747e+01 1.56 2.938927236e+01 2.938927236e+01 1.58 2.674441239e+01 2.674441239e+01 1.60 2.430486093e+01 2.430486093e+01 1.62 2.205444973e+01 2.205444973e+01 1.64 1.998274999e+01 1.998274999e+01 1.66 1.807674192e+01 1.807674192e+01 1.68 1.632522389e+01 1.632522389e+01 1.70 1.471811986e+01 1.471811986e+01 1.72 1.324374149e+01 1.324374149e+01 1.74 1.189463566e+01 1.189463566e+01 1.76 1.066118764e+01 1.066118764e+01 1.78 9.519056421e+00 9.519056421e+00 1.80 8.492189040e+00 8.492189040e+00 1.82 7.512964579e+00 7.512964579e+00 1.84 6.615788412e+00 6.615788412e+00 1.86 5.785403765e+00 5.785403765e+00 1.88 5.003805581e+00 5.003805581e+00 1.90 4.270990175e+00 4.270990175e+00 1.92 3.583782087e+00 3.583782087e+00 1.94 2.939852596e+00 2.939852596e+00 1.96 2.338747152e+00 2.338747152e+00 1.98 1.777604951e+00 1.777604951e+00 2.00 1.255044114e+00 1.255044114e+00 2.02 7.695405251e-01 7.695405251e-01 2.04 3.192151302e-01 3.192151302e-01 2.06 -9.774568781e-02 -9.774568781e-02 2.08 -4.831137814e-01 -4.831137814e-01 2.10 -8.387814605e-01 -8.387814605e-01 2.12 -1.164928914e+00 -1.164928914e+00 2.14 -1.464460377e+00 -1.464460377e+00 2.16 -1.739033853e+00 -1.739033853e+00 2.18 -1.989905286e+00 -1.989905286e+00 2.20 -2.218366018e+00 -2.218366018e+00 2.22 -2.425784926e+00 -2.425784926e+00 2.24 -2.613352513e+00 -2.613352513e+00 2.26 -2.782027820e+00 -2.782027820e+00 2.28 -2.932630637e+00 -2.932630637e+00 2.30 -3.066855044e+00 -3.066855044e+00 2.32 -3.185644620e+00 -3.185644620e+00 2.34 -3.290037445e+00 -3.290037445e+00 2.36 -3.380903696e+00 -3.380903696e+00 2.38 -3.458785113e+00 -3.458785113e+00 2.40 -3.524980787e+00 -3.524980787e+00 2.42 -3.580624569e+00 -3.580624569e+00 2.44 -3.626075567e+00 -3.626075567e+00 2.46 -3.662037933e+00 -3.662037933e+00 2.48 -3.689089584e+00 -3.689089584e+00 2.50 -3.707953546e+00 -3.707953546e+00 2.52 -3.719888889e+00 -3.719888889e+00 2.54 -3.725094062e+00 -3.725094062e+00 2.56 -3.723772502e+00 -3.723772502e+00 2.58 -3.716420121e+00 -3.716420121e+00 2.60 -3.704074120e+00 -3.704074120e+00 2.62 -3.686750989e+00 -3.686750989e+00 2.64 -3.664730073e+00 -3.664730073e+00 2.66 -3.638417357e+00 -3.638417357e+00 2.68 -3.608193949e+00 -3.608193949e+00 2.70 -3.574417431e+00 -3.574417431e+00 2.72 -3.537423064e+00 -3.537423064e+00 2.74 -3.497524882e+00 -3.497524882e+00 2.76 -3.454376284e+00 -3.454376284e+00 2.78 -3.408567721e+00 -3.408567721e+00 2.80 -3.360216145e+00 -3.360216145e+00 2.82 -3.309749910e+00 -3.309749910e+00 2.84 -3.257761819e+00 -3.257761819e+00 2.86 -3.204454318e+00 -3.204454318e+00 2.88 -3.150014172e+00 -3.150014172e+00 2.90 -3.094623202e+00 -3.094623202e+00 2.92 -3.038521269e+00 -3.038521269e+00 2.94 -2.981783854e+00 -2.981783854e+00 2.96 -2.925124206e+00 -2.925124206e+00 2.98 -2.868049261e+00 -2.868049261e+00 3.00 -2.810690571e+00 -2.810690571e+00 3.02 -2.753072313e+00 -2.753072313e+00 3.04 -2.695552563e+00 -2.695552563e+00 3.06 -2.638318472e+00 -2.638318472e+00 3.08 -2.581182661e+00 -2.581182661e+00 3.10 -2.524231084e+00 -2.524231084e+00 3.12 -2.467538910e+00 -2.467538910e+00 3.14 -2.411174923e+00 -2.411174923e+00 3.16 -2.355201910e+00 -2.355201910e+00 3.18 -2.299677062e+00 -2.299677062e+00 3.20 -2.244652312e+00 -2.244652312e+00 3.22 -2.190174633e+00 -2.190174633e+00 3.24 -2.136286359e+00 -2.136286359e+00 3.26 -2.083023851e+00 -2.083023851e+00 3.28 -2.030433874e+00 -2.030433874e+00 3.30 -1.978518313e+00 -1.978518313e+00 3.32 -1.927269660e+00 -1.927269660e+00 3.34 -1.876638403e+00 -1.876638403e+00 3.36 -1.826633639e+00 -1.826633639e+00 3.38 -1.777458668e+00 -1.777458668e+00 3.40 -1.729112250e+00 -1.729112250e+00 3.42 -1.681386337e+00 -1.681386337e+00 3.44 -1.634258693e+00 -1.634258693e+00 3.46 -1.587972714e+00 -1.587972714e+00 3.48 -1.542574402e+00 -1.542574402e+00 3.50 -1.498027623e+00 -1.498027623e+00 3.52 -1.454332189e+00 -1.454332189e+00 3.54 -1.411489097e+00 -1.411489097e+00 3.56 -1.369498670e+00 -1.369498670e+00 3.58 -1.328361735e+00 -1.328361735e+00 3.60 -1.288075633e+00 -1.288075633e+00 3.62 -1.248628587e+00 -1.248628587e+00 3.64 -1.210010464e+00 -1.210010464e+00 3.66 -1.172223516e+00 -1.172223516e+00 3.68 -1.135248953e+00 -1.135248953e+00 3.70 -1.099065059e+00 -1.099065059e+00 3.72 -1.063677695e+00 -1.063677695e+00 3.74 -1.029100926e+00 -1.029100926e+00 3.76 -9.953347375e-01 -9.953347375e-01 3.78 -9.621836016e-01 -9.621836016e-01 3.80 -9.296937548e-01 -9.296937548e-01 3.82 -8.979867697e-01 -8.979867697e-01 3.84 -8.671546996e-01 -8.671546996e-01 3.86 -8.372650440e-01 -8.372650440e-01 3.88 -8.082330893e-01 -8.082330893e-01 3.90 -7.801283077e-01 -7.801283077e-01 3.92 -7.530582068e-01 -7.530582068e-01 3.94 -7.267977854e-01 -7.267977854e-01 3.96 -7.011779019e-01 -7.011779019e-01 3.98 -6.760823049e-01 -6.760823049e-01 4.00 -6.514356404e-01 -6.514356404e-01 4.02 -6.273162815e-01 -6.273162815e-01 4.04 -6.036371293e-01 -6.036371293e-01 4.06 -5.801372370e-01 -5.801372370e-01 4.08 -5.566413370e-01 -5.566413370e-01 4.10 -5.330227913e-01 -5.330227913e-01 4.12 -5.091856326e-01 -5.091856326e-01 4.14 -4.852216532e-01 -4.852216532e-01 4.16 -4.613787034e-01 -4.613787034e-01 4.18 -4.385796546e-01 -4.385796546e-01 4.20 -4.159944903e-01 -4.159944903e-01 4.22 -3.937207164e-01 -3.937207164e-01 4.24 -3.718102060e-01 -3.718102060e-01 4.26 -3.502515244e-01 -3.502515244e-01 4.28 -3.291184215e-01 -3.291184215e-01 4.30 -3.094491798e-01 -3.094491798e-01 4.32 -2.907804241e-01 -2.907804241e-01 4.34 -2.727572242e-01 -2.727572242e-01 4.36 -2.554256055e-01 -2.554256055e-01 4.38 -2.388082031e-01 -2.388082031e-01 4.40 -2.229158957e-01 -2.229158957e-01 4.42 -2.077501588e-01 -2.077501588e-01 4.44 -1.933050038e-01 -1.933050038e-01 4.46 -1.795685944e-01 -1.795685944e-01 4.48 -1.665245955e-01 -1.665245955e-01 4.50 -1.541532755e-01 -1.541532755e-01 4.52 -1.424324176e-01 -1.424324176e-01 4.54 -1.313380662e-01 -1.313380662e-01 4.56 -1.208451410e-01 -1.208451410e-01 4.58 -1.109279262e-01 -1.109279262e-01 4.60 -1.015604630e-01 -1.015604630e-01 4.62 -9.271686676e-02 -9.271686676e-02 4.64 -8.437157458e-02 -8.437157458e-02 4.66 -7.649953648e-02 -7.649953648e-02 4.68 -6.907635919e-02 -6.907635919e-02 4.70 -6.207841665e-02 -6.207841665e-02 4.72 -5.548292401e-02 -5.548292401e-02 4.74 -4.926798943e-02 -4.926798943e-02 4.76 -4.341264715e-02 -4.341264715e-02 4.78 -3.790296171e-02 -3.790296171e-02 4.80 -3.272356837e-02 -3.272356837e-02 4.82 -2.936664173e-02 -2.936664173e-02 4.84 -2.624420848e-02 -2.624420848e-02 4.86 -2.330036211e-02 -2.330036211e-02 4.88 -2.052525430e-02 -2.052525430e-02 4.90 -1.790941423e-02 -1.790941423e-02 4.92 -1.544345582e-02 -1.544345582e-02 4.94 -1.307134718e-02 -1.307134718e-02 4.96 -1.151999033e-02 -1.151999033e-02 4.98 -1.072606989e-02 -1.072606989e-02 5.00 -9.936306453e-03 -9.936306453e-03 5.02 -9.194407790e-03 -9.194407790e-03 5.04 -8.497849174e-03 -8.497849174e-03 5.06 -7.843915403e-03 -7.843915403e-03 5.08 -7.230050932e-03 -7.230050932e-03 5.10 -6.653850656e-03 -6.653850656e-03 5.12 -6.113051262e-03 -6.113051262e-03 5.14 -5.605522965e-03 -5.605522965e-03 5.16 -5.129261705e-03 -5.129261705e-03 5.18 -4.682381843e-03 -4.682381843e-03 5.20 -4.263109280e-03 -4.263109280e-03 5.22 -3.869774997e-03 -3.869774997e-03 5.24 -3.500808874e-03 -3.500808874e-03 5.26 -3.154733908e-03 -3.154733908e-03 5.28 -2.830160776e-03 -2.830160776e-03 5.30 -2.525782747e-03 -2.525782747e-03 5.32 -2.240370855e-03 -2.240370855e-03 5.34 -1.972769312e-03 -1.972769312e-03 5.36 -1.721891229e-03 -1.721891229e-03 5.38 -1.486714588e-03 -1.486714588e-03 5.40 -1.266278472e-03 -1.266278472e-03 5.42 -1.059679461e-03 -1.059679461e-03 5.44 -8.660682411e-04 -8.660682411e-04 5.46 -6.846464362e-04 -6.846464362e-04 5.48 -5.146636256e-04 -5.146636256e-04 5.50 -3.554145389e-04 -3.554145389e-04 5.52 -2.062363745e-04 -2.062363745e-04 5.54 -6.561240402e-05 -6.561240402e-05 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00