# 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 = Ag2CuNi # 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 3.072322236e+02 3.072322236e+02 1.00 2.854073962e+02 2.854073962e+02 1.02 2.654576787e+02 2.654576787e+02 1.04 2.471574307e+02 2.471574307e+02 1.06 2.303100066e+02 2.303100066e+02 1.08 2.147563930e+02 2.147563930e+02 1.10 2.003546047e+02 2.003546047e+02 1.12 1.869852508e+02 1.869852508e+02 1.14 1.745435655e+02 1.745435655e+02 1.16 1.629458652e+02 1.629458652e+02 1.18 1.521155015e+02 1.521155015e+02 1.20 1.419893161e+02 1.419893161e+02 1.22 1.325076388e+02 1.325076388e+02 1.24 1.236254825e+02 1.236254825e+02 1.26 1.152972632e+02 1.152972632e+02 1.28 1.074833785e+02 1.074833785e+02 1.30 1.001494819e+02 1.001494819e+02 1.32 9.326353860e+01 9.326353860e+01 1.34 8.679866435e+01 8.679866435e+01 1.36 8.072978698e+01 8.072978698e+01 1.38 7.503319918e+01 7.503319918e+01 1.40 6.968759715e+01 6.968759715e+01 1.42 6.467200003e+01 6.467200003e+01 1.44 5.996796780e+01 5.996796780e+01 1.46 5.555718777e+01 5.555718777e+01 1.48 5.142423685e+01 5.142423685e+01 1.50 4.755538536e+01 4.755538536e+01 1.52 4.393610608e+01 4.393610608e+01 1.54 4.055173749e+01 4.055173749e+01 1.56 3.738999130e+01 3.738999130e+01 1.58 3.443827498e+01 3.443827498e+01 1.60 3.168464042e+01 3.168464042e+01 1.62 2.911622264e+01 2.911622264e+01 1.64 2.672348495e+01 2.672348495e+01 1.66 2.449576164e+01 2.449576164e+01 1.68 2.242360573e+01 2.242360573e+01 1.70 2.049845258e+01 2.049845258e+01 1.72 1.871060999e+01 1.871060999e+01 1.74 1.705286496e+01 1.705286496e+01 1.76 1.551663399e+01 1.551663399e+01 1.78 1.409444146e+01 1.409444146e+01 1.80 1.274768008e+01 1.274768008e+01 1.82 1.153173349e+01 1.153173349e+01 1.84 1.040748455e+01 1.040748455e+01 1.86 9.350586051e+00 9.350586051e+00 1.88 8.370169030e+00 8.370169030e+00 1.90 7.463561156e+00 7.463561156e+00 1.92 6.610253906e+00 6.610253906e+00 1.94 5.807316234e+00 5.807316234e+00 1.96 5.053999400e+00 5.053999400e+00 1.98 4.347130839e+00 4.347130839e+00 2.00 3.685210927e+00 3.685210927e+00 2.02 3.066536379e+00 3.066536379e+00 2.04 2.489057426e+00 2.489057426e+00 2.06 1.950789606e+00 1.950789606e+00 2.08 1.449799464e+00 1.449799464e+00 2.10 9.840858713e-01 9.840858713e-01 2.12 5.520326678e-01 5.520326678e-01 2.14 1.519010734e-01 1.519010734e-01 2.16 -2.181782395e-01 -2.181782395e-01 2.18 -5.592182208e-01 -5.592182208e-01 2.20 -8.732293324e-01 -8.732293324e-01 2.22 -1.161826629e+00 -1.161826629e+00 2.24 -1.426339390e+00 -1.426339390e+00 2.26 -1.668096307e+00 -1.668096307e+00 2.28 -1.888417414e+00 -1.888417414e+00 2.30 -2.088565858e+00 -2.088565858e+00 2.32 -2.269067054e+00 -2.269067054e+00 2.34 -2.431575509e+00 -2.431575509e+00 2.36 -2.577461645e+00 -2.577461645e+00 2.38 -2.707754099e+00 -2.707754099e+00 2.40 -2.823432933e+00 -2.823432933e+00 2.42 -2.925588549e+00 -2.925588549e+00 2.44 -3.014717260e+00 -3.014717260e+00 2.46 -3.091900439e+00 -3.091900439e+00 2.48 -3.157990640e+00 -3.157990640e+00 2.50 -3.213862744e+00 -3.213862744e+00 2.52 -3.260381454e+00 -3.260381454e+00 2.54 -3.297775372e+00 -3.297775372e+00 2.56 -3.326659610e+00 -3.326659610e+00 2.58 -3.347749453e+00 -3.347749453e+00 2.60 -3.362243259e+00 -3.362243259e+00 2.62 -3.370132796e+00 -3.370132796e+00 2.64 -3.371809726e+00 -3.371809726e+00 2.66 -3.367777042e+00 -3.367777042e+00 2.68 -3.358490651e+00 -3.358490651e+00 2.70 -3.344379508e+00 -3.344379508e+00 2.72 -3.325846930e+00 -3.325846930e+00 2.74 -3.303271864e+00 -3.303271864e+00 2.76 -3.277010143e+00 -3.277010143e+00 2.78 -3.247412161e+00 -3.247412161e+00 2.80 -3.214819737e+00 -3.214819737e+00 2.82 -3.179161773e+00 -3.179161773e+00 2.84 -3.140845292e+00 -3.140845292e+00 2.86 -3.100156710e+00 -3.100156710e+00 2.88 -3.056824392e+00 -3.056824392e+00 2.90 -3.011849418e+00 -3.011849418e+00 2.92 -2.965556757e+00 -2.965556757e+00 2.94 -2.917970707e+00 -2.917970707e+00 2.96 -2.869540442e+00 -2.869540442e+00 2.98 -2.820138284e+00 -2.820138284e+00 3.00 -2.769920558e+00 -2.769920558e+00 3.02 -2.719040792e+00 -2.719040792e+00 3.04 -2.667721363e+00 -2.667721363e+00 3.06 -2.616100007e+00 -2.616100007e+00 3.08 -2.564180019e+00 -2.564180019e+00 3.10 -2.512067870e+00 -2.512067870e+00 3.12 -2.459861710e+00 -2.459861710e+00 3.14 -2.407652284e+00 -2.407652284e+00 3.16 -2.355523084e+00 -2.355523084e+00 3.18 -2.303550848e+00 -2.303550848e+00 3.20 -2.251805969e+00 -2.251805969e+00 3.22 -2.200352886e+00 -2.200352886e+00 3.24 -2.149250517e+00 -2.149250517e+00 3.26 -2.098552598e+00 -2.098552598e+00 3.28 -2.048307720e+00 -2.048307720e+00 3.30 -1.998559948e+00 -1.998559948e+00 3.32 -1.949349510e+00 -1.949349510e+00 3.34 -1.900710331e+00 -1.900710331e+00 3.36 -1.852680775e+00 -1.852680775e+00 3.38 -1.805288522e+00 -1.805288522e+00 3.40 -1.758525784e+00 -1.758525784e+00 3.42 -1.712523279e+00 -1.712523279e+00 3.44 -1.667083520e+00 -1.667083520e+00 3.46 -1.622139787e+00 -1.622139787e+00 3.48 -1.577822812e+00 -1.577822812e+00 3.50 -1.534271839e+00 -1.534271839e+00 3.52 -1.491502440e+00 -1.491502440e+00 3.54 -1.449500312e+00 -1.449500312e+00 3.56 -1.408271854e+00 -1.408271854e+00 3.58 -1.367825542e+00 -1.367825542e+00 3.60 -1.328156439e+00 -1.328156439e+00 3.62 -1.289270201e+00 -1.289270201e+00 3.64 -1.251176407e+00 -1.251176407e+00 3.66 -1.213863490e+00 -1.213863490e+00 3.68 -1.177318948e+00 -1.177318948e+00 3.70 -1.141541590e+00 -1.141541590e+00 3.72 -1.106529770e+00 -1.106529770e+00 3.74 -1.072252384e+00 -1.072252384e+00 3.76 -1.038705567e+00 -1.038705567e+00 3.78 -1.005900693e+00 -1.005900693e+00 3.80 -9.738401308e-01 -9.738401308e-01 3.82 -9.425272902e-01 -9.425272902e-01 3.84 -9.118189800e-01 -9.118189800e-01 3.86 -8.816448124e-01 -8.816448124e-01 3.88 -8.521327608e-01 -8.521327608e-01 3.90 -8.233396597e-01 -8.233396597e-01 3.92 -7.953510240e-01 -7.953510240e-01 3.94 -7.683031630e-01 -7.683031630e-01 3.96 -7.422922640e-01 -7.422922640e-01 3.98 -7.175143572e-01 -7.175143572e-01 4.00 -6.939754419e-01 -6.939754419e-01 4.02 -6.713790784e-01 -6.713790784e-01 4.04 -6.494962690e-01 -6.494962690e-01 4.06 -6.279760367e-01 -6.279760367e-01 4.08 -6.065184316e-01 -6.065184316e-01 4.10 -5.849224413e-01 -5.849224413e-01 4.12 -5.630645266e-01 -5.630645266e-01 4.14 -5.408824259e-01 -5.408824259e-01 4.16 -5.184039133e-01 -5.184039133e-01 4.18 -4.959271340e-01 -4.959271340e-01 4.20 -4.731432420e-01 -4.731432420e-01 4.22 -4.500551141e-01 -4.500551141e-01 4.24 -4.268234711e-01 -4.268234711e-01 4.26 -4.035994452e-01 -4.035994452e-01 4.28 -3.805793111e-01 -3.805793111e-01 4.30 -3.587182596e-01 -3.587182596e-01 4.32 -3.377529789e-01 -3.377529789e-01 4.34 -3.174437212e-01 -3.174437212e-01 4.36 -2.978625562e-01 -2.978625562e-01 4.38 -2.790527931e-01 -2.790527931e-01 4.40 -2.610404136e-01 -2.610404136e-01 4.42 -2.438375114e-01 -2.438375114e-01 4.44 -2.274451332e-01 -2.274451332e-01 4.46 -2.118556353e-01 -2.118556353e-01 4.48 -1.970546390e-01 -1.970546390e-01 4.50 -1.830226308e-01 -1.830226308e-01 4.52 -1.697362782e-01 -1.697362782e-01 4.54 -1.571695056e-01 -1.571695056e-01 4.56 -1.452943730e-01 -1.452943730e-01 4.58 -1.340817787e-01 -1.340817787e-01 4.60 -1.235020242e-01 -1.235020242e-01 4.62 -1.135252646e-01 -1.135252646e-01 4.64 -1.041218629e-01 -1.041218629e-01 4.66 -9.526266511e-02 -9.526266511e-02 4.68 -8.691920708e-02 -8.691920708e-02 4.70 -7.906387212e-02 -7.906387212e-02 4.72 -7.167000127e-02 -7.167000127e-02 4.74 -6.471197040e-02 -6.471197040e-02 4.76 -5.816524049e-02 -5.816524049e-02 4.78 -5.201029160e-02 -5.201029160e-02 4.80 -4.622240092e-02 -4.622240092e-02 4.82 -4.189144446e-02 -4.189144446e-02 4.84 -3.789194828e-02 -3.789194828e-02 4.86 -3.412096958e-02 -3.412096958e-02 4.88 -3.056574195e-02 -3.056574195e-02 4.90 -2.721410300e-02 -2.721410300e-02 4.92 -2.405413180e-02 -2.405413180e-02 4.94 -2.102602556e-02 -2.102602556e-02 4.96 -1.887676292e-02 -1.887676292e-02 4.98 -1.754176619e-02 -1.754176619e-02 5.00 -1.624340093e-02 -1.624340093e-02 5.02 -1.502472080e-02 -1.502472080e-02 5.04 -1.388124760e-02 -1.388124760e-02 5.06 -1.280841810e-02 -1.280841810e-02 5.08 -1.180193968e-02 -1.180193968e-02 5.10 -1.085777527e-02 -1.085777527e-02 5.12 -9.972128917e-03 -9.972128917e-03 5.14 -9.141432000e-03 -9.141432000e-03 5.16 -8.362329973e-03 -8.362329973e-03 5.18 -7.631669925e-03 -7.631669925e-03 5.20 -6.946488789e-03 -6.946488789e-03 5.22 -6.304002224e-03 -6.304002224e-03 5.24 -5.701593948e-03 -5.701593948e-03 5.26 -5.136805743e-03 -5.136805743e-03 5.28 -4.607328042e-03 -4.607328042e-03 5.30 -4.110991106e-03 -4.110991106e-03 5.32 -3.645756665e-03 -3.645756665e-03 5.34 -3.209709975e-03 -3.209709975e-03 5.36 -2.801052417e-03 -2.801052417e-03 5.38 -2.418094532e-03 -2.418094532e-03 5.40 -2.059249513e-03 -2.059249513e-03 5.42 -1.723026994e-03 -1.723026994e-03 5.44 -1.408027228e-03 -1.408027228e-03 5.46 -1.112935639e-03 -1.112935639e-03 5.48 -8.365177161e-04 -8.365177161e-04 5.50 -5.776142176e-04 -5.776142176e-04 5.52 -3.351365973e-04 -3.351365973e-04 5.54 -1.066102357e-04 -1.066102357e-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 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