# 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 = AuPdPt2 # 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 1.162575447e+03 1.162575447e+03 1.00 1.069299686e+03 1.069299686e+03 1.02 9.843284081e+02 9.843284081e+02 1.04 9.068168549e+02 9.068168549e+02 1.06 8.360197821e+02 8.360197821e+02 1.08 7.712776565e+02 7.712776565e+02 1.10 7.120030331e+02 7.120030331e+02 1.12 6.576746382e+02 6.576746382e+02 1.14 6.078277121e+02 6.078277121e+02 1.16 5.620459917e+02 5.620459917e+02 1.18 5.199579519e+02 5.199579519e+02 1.20 4.812307920e+02 4.812307920e+02 1.22 4.455652272e+02 4.455652272e+02 1.24 4.126913682e+02 4.126913682e+02 1.26 3.823666039e+02 3.823666039e+02 1.28 3.543722829e+02 3.543722829e+02 1.30 3.285108803e+02 3.285108803e+02 1.32 3.046025553e+02 3.046025553e+02 1.34 2.824851060e+02 2.824851060e+02 1.36 2.620114534e+02 2.620114534e+02 1.38 2.430478866e+02 2.430478866e+02 1.40 2.254729386e+02 2.254729386e+02 1.42 2.091755764e+02 2.091755764e+02 1.44 1.940543630e+02 1.940543630e+02 1.46 1.800171115e+02 1.800171115e+02 1.48 1.669794927e+02 1.669794927e+02 1.50 1.548643486e+02 1.548643486e+02 1.52 1.436010875e+02 1.436010875e+02 1.54 1.331251836e+02 1.331251836e+02 1.56 1.233772488e+02 1.233772488e+02 1.58 1.143024626e+02 1.143024626e+02 1.60 1.058505426e+02 1.058505426e+02 1.62 9.797554850e+01 9.797554850e+01 1.64 9.063529934e+01 9.063529934e+01 1.66 8.379077711e+01 8.379077711e+01 1.68 7.740610391e+01 7.740610391e+01 1.70 7.144821564e+01 7.144821564e+01 1.72 6.588660746e+01 6.588660746e+01 1.74 6.069309874e+01 6.069309874e+01 1.76 5.584167689e+01 5.584167689e+01 1.78 5.130844962e+01 5.130844962e+01 1.80 4.707097154e+01 4.707097154e+01 1.82 4.310860703e+01 4.310860703e+01 1.84 3.940235248e+01 3.940235248e+01 1.86 3.593462485e+01 3.593462485e+01 1.88 3.269646747e+01 3.269646747e+01 1.90 2.967581352e+01 2.967581352e+01 1.92 2.685989809e+01 2.685989809e+01 1.94 2.424053740e+01 2.424053740e+01 1.96 2.180461246e+01 2.180461246e+01 1.98 1.954075986e+01 1.954075986e+01 2.00 1.743826612e+01 1.743826612e+01 2.02 1.548708349e+01 1.548708349e+01 2.04 1.367776422e+01 1.367776422e+01 2.06 1.200141322e+01 1.200141322e+01 2.08 1.044956608e+01 1.044956608e+01 2.10 9.014347673e+00 9.014347673e+00 2.12 7.688295324e+00 7.688295324e+00 2.14 6.464407904e+00 6.464407904e+00 2.16 5.336160122e+00 5.336160122e+00 2.18 4.297419517e+00 4.297419517e+00 2.20 3.342434017e+00 3.342434017e+00 2.22 2.465707705e+00 2.465707705e+00 2.24 1.662156603e+00 1.662156603e+00 2.26 9.269860765e-01 9.269860765e-01 2.28 2.560581661e-01 2.560581661e-01 2.30 -3.552327827e-01 -3.552327827e-01 2.32 -9.110605576e-01 -9.110605576e-01 2.34 -1.415077138e+00 -1.415077138e+00 2.36 -1.870840429e+00 -1.870840429e+00 2.38 -2.281693712e+00 -2.281693712e+00 2.40 -2.650761761e+00 -2.650761761e+00 2.42 -2.980933993e+00 -2.980933993e+00 2.44 -3.274759280e+00 -3.274759280e+00 2.46 -3.535123863e+00 -3.535123863e+00 2.48 -3.764481364e+00 -3.764481364e+00 2.50 -3.965126569e+00 -3.965126569e+00 2.52 -4.139210575e+00 -4.139210575e+00 2.54 -4.288727106e+00 -4.288727106e+00 2.56 -4.415133723e+00 -4.415133723e+00 2.58 -4.520655784e+00 -4.520655784e+00 2.60 -4.606945303e+00 -4.606945303e+00 2.62 -4.675550579e+00 -4.675550579e+00 2.64 -4.727918869e+00 -4.727918869e+00 2.66 -4.765657133e+00 -4.765657133e+00 2.68 -4.789964178e+00 -4.789964178e+00 2.70 -4.801641747e+00 -4.801641747e+00 2.72 -4.801833852e+00 -4.801833852e+00 2.74 -4.791696300e+00 -4.791696300e+00 2.76 -4.772170024e+00 -4.772170024e+00 2.78 -4.745162510e+00 -4.745162510e+00 2.80 -4.711121901e+00 -4.711121901e+00 2.82 -4.670136552e+00 -4.670136552e+00 2.84 -4.622913275e+00 -4.622913275e+00 2.86 -4.570110944e+00 -4.570110944e+00 2.88 -4.512341494e+00 -4.512341494e+00 2.90 -4.450201320e+00 -4.450201320e+00 2.92 -4.384492361e+00 -4.384492361e+00 2.94 -4.315375775e+00 -4.315375775e+00 2.96 -4.242004551e+00 -4.242004551e+00 2.98 -4.166013203e+00 -4.166013203e+00 3.00 -4.087945801e+00 -4.087945801e+00 3.02 -4.008152087e+00 -4.008152087e+00 3.04 -3.926957167e+00 -3.926957167e+00 3.06 -3.844657665e+00 -3.844657665e+00 3.08 -3.761458215e+00 -3.761458215e+00 3.10 -3.676894281e+00 -3.676894281e+00 3.12 -3.591857265e+00 -3.591857265e+00 3.14 -3.506752135e+00 -3.506752135e+00 3.16 -3.421745583e+00 -3.421745583e+00 3.18 -3.337010685e+00 -3.337010685e+00 3.20 -3.252701961e+00 -3.252701961e+00 3.22 -3.168958891e+00 -3.168958891e+00 3.24 -3.085888959e+00 -3.085888959e+00 3.26 -3.004544305e+00 -3.004544305e+00 3.28 -2.924364083e+00 -2.924364083e+00 3.30 -2.845112941e+00 -2.845112941e+00 3.32 -2.766872522e+00 -2.766872522e+00 3.34 -2.689716458e+00 -2.689716458e+00 3.36 -2.613709439e+00 -2.613709439e+00 3.38 -2.538907658e+00 -2.538907658e+00 3.40 -2.465371557e+00 -2.465371557e+00 3.42 -2.393289045e+00 -2.393289045e+00 3.44 -2.322528664e+00 -2.322528664e+00 3.46 -2.253120310e+00 -2.253120310e+00 3.48 -2.185087744e+00 -2.185087744e+00 3.50 -2.118449264e+00 -2.118449264e+00 3.52 -2.053218144e+00 -2.053218144e+00 3.54 -1.989416342e+00 -1.989416342e+00 3.56 -1.927041762e+00 -1.927041762e+00 3.58 -1.866075935e+00 -1.866075935e+00 3.60 -1.806516171e+00 -1.806516171e+00 3.62 -1.748321171e+00 -1.748321171e+00 3.64 -1.691407091e+00 -1.691407091e+00 3.66 -1.635741426e+00 -1.635741426e+00 3.68 -1.581396968e+00 -1.581396968e+00 3.70 -1.528430012e+00 -1.528430012e+00 3.72 -1.476833553e+00 -1.476833553e+00 3.74 -1.426551040e+00 -1.426551040e+00 3.76 -1.377564813e+00 -1.377564813e+00 3.78 -1.329877338e+00 -1.329877338e+00 3.80 -1.283487040e+00 -1.283487040e+00 3.82 -1.238377579e+00 -1.238377579e+00 3.84 -1.194535133e+00 -1.194535133e+00 3.86 -1.151950237e+00 -1.151950237e+00 3.88 -1.110596330e+00 -1.110596330e+00 3.90 -1.070430211e+00 -1.070430211e+00 3.92 -1.031433720e+00 -1.031433720e+00 3.94 -9.935976515e-01 -9.935976515e-01 3.96 -9.569128201e-01 -9.569128201e-01 3.98 -9.213472040e-01 -9.213472040e-01 4.00 -8.867498338e-01 -8.867498338e-01 4.02 -8.530864416e-01 -8.530864416e-01 4.04 -8.204358037e-01 -8.204358037e-01 4.06 -7.888573140e-01 -7.888573140e-01 4.08 -7.583912993e-01 -7.583912993e-01 4.10 -7.290621875e-01 -7.290621875e-01 4.12 -7.008813927e-01 -7.008813927e-01 4.14 -6.739512919e-01 -6.739512919e-01 4.16 -6.482757725e-01 -6.482757725e-01 4.18 -6.235791258e-01 -6.235791258e-01 4.20 -5.996279341e-01 -5.996279341e-01 4.22 -5.762485607e-01 -5.762485607e-01 4.24 -5.533156040e-01 -5.533156040e-01 4.26 -5.307422288e-01 -5.307422288e-01 4.28 -5.084721017e-01 -5.084721017e-01 4.30 -4.864726928e-01 -4.864726928e-01 4.32 -4.647297422e-01 -4.647297422e-01 4.34 -4.432427077e-01 -4.432427077e-01 4.36 -4.220210514e-01 -4.220210514e-01 4.38 -4.010184388e-01 -4.010184388e-01 4.40 -3.802432499e-01 -3.802432499e-01 4.42 -3.598350889e-01 -3.598350889e-01 4.44 -3.399054810e-01 -3.399054810e-01 4.46 -3.205390417e-01 -3.205390417e-01 4.48 -3.017980716e-01 -3.017980716e-01 4.50 -2.837264487e-01 -2.837264487e-01 4.52 -2.663529220e-01 -2.663529220e-01 4.54 -2.496938925e-01 -2.496938925e-01 4.56 -2.337554547e-01 -2.337554547e-01 4.58 -2.185106698e-01 -2.185106698e-01 4.60 -2.046744059e-01 -2.046744059e-01 4.62 -1.921664809e-01 -1.921664809e-01 4.64 -1.802407468e-01 -1.802407468e-01 4.66 -1.689039431e-01 -1.689039431e-01 4.68 -1.581363785e-01 -1.581363785e-01 4.70 -1.479172411e-01 -1.479172411e-01 4.72 -1.382250900e-01 -1.382250900e-01 4.74 -1.290381702e-01 -1.290381702e-01 4.76 -1.203346697e-01 -1.203346697e-01 4.78 -1.120929235e-01 -1.120929235e-01 4.80 -1.042884949e-01 -1.042884949e-01 4.82 -9.699486205e-02 -9.699486205e-02 4.84 -9.013001606e-02 -9.013001606e-02 4.86 -8.363588890e-02 -8.363588890e-02 4.88 -7.749395159e-02 -7.749395159e-02 4.90 -7.168634537e-02 -7.168634537e-02 4.92 -6.619590378e-02 -6.619590378e-02 4.94 -6.100616447e-02 -6.100616447e-02 4.96 -5.610137153e-02 -5.610137153e-02 4.98 -5.146647121e-02 -5.146647121e-02 5.00 -4.708710207e-02 -4.708710207e-02 5.02 -4.294958174e-02 -4.294958174e-02 5.04 -3.904088999e-02 -3.904088999e-02 5.06 -3.534864806e-02 -3.534864806e-02 5.08 -3.186109750e-02 -3.186109750e-02 5.10 -2.856707763e-02 -2.856707763e-02 5.12 -2.545600235e-02 -2.545600235e-02 5.14 -2.251783629e-02 -2.251783629e-02 5.16 -1.974307073e-02 -1.974307073e-02 5.18 -1.712269994e-02 -1.712269994e-02 5.20 -1.464819792e-02 -1.464819792e-02 5.22 -1.231149574e-02 -1.231149574e-02 5.24 -1.010495884e-02 -1.010495884e-02 5.26 -8.021328172e-03 -8.021328172e-03 5.28 -6.056212363e-03 -6.056212363e-03 5.30 -4.256086903e-03 -4.256086903e-03 5.32 -3.738319614e-03 -3.738319614e-03 5.34 -3.289413137e-03 -3.289413137e-03 5.36 -2.876190496e-03 -2.876190496e-03 5.38 -2.487659092e-03 -2.487659092e-03 5.40 -2.122391379e-03 -2.122391379e-03 5.42 -1.779039374e-03 -1.779039374e-03 5.44 -1.456330383e-03 -1.456330383e-03 5.46 -1.153062958e-03 -1.153062958e-03 5.48 -8.681030839e-04 -8.681030839e-04 5.50 -6.003805584e-04 -6.003805584e-04 5.52 -3.488855084e-04 -3.488855084e-04 5.54 -1.111487262e-04 -1.111487262e-04 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