# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgPd2Pt # 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 9.088717102e+02 9.088717102e+02 1.00 8.330274172e+02 8.330274172e+02 1.02 7.643156430e+02 7.643156430e+02 1.04 7.019946557e+02 7.019946557e+02 1.06 6.454044379e+02 6.454044379e+02 1.08 5.939542968e+02 5.939542968e+02 1.10 5.471241747e+02 5.471241747e+02 1.12 5.044476549e+02 5.044476549e+02 1.14 4.655074860e+02 4.655074860e+02 1.16 4.299354271e+02 4.299354271e+02 1.18 3.974005128e+02 3.974005128e+02 1.20 3.676059597e+02 3.676059597e+02 1.22 3.402857445e+02 3.402857445e+02 1.24 3.152052038e+02 3.152052038e+02 1.26 2.921525742e+02 2.921525742e+02 1.28 2.709379943e+02 2.709379943e+02 1.30 2.513896561e+02 2.513896561e+02 1.32 2.333571907e+02 2.333571907e+02 1.34 2.167043561e+02 2.167043561e+02 1.36 2.013083157e+02 2.013083157e+02 1.38 1.870587700e+02 1.870587700e+02 1.40 1.738556613e+02 1.738556613e+02 1.42 1.616095430e+02 1.616095430e+02 1.44 1.502410233e+02 1.502410233e+02 1.46 1.396773401e+02 1.396773401e+02 1.48 1.298527933e+02 1.298527933e+02 1.50 1.207082406e+02 1.207082406e+02 1.52 1.121899810e+02 1.121899810e+02 1.54 1.042486005e+02 1.042486005e+02 1.56 9.683950784e+01 9.683950784e+01 1.58 8.992288556e+01 8.992288556e+01 1.60 8.346305764e+01 8.346305764e+01 1.62 7.742659361e+01 7.742659361e+01 1.64 7.178277189e+01 7.178277189e+01 1.66 6.650376638e+01 6.650376638e+01 1.68 6.156398874e+01 6.156398874e+01 1.70 5.693991462e+01 5.693991462e+01 1.72 5.260984940e+01 5.260984940e+01 1.74 4.855396115e+01 4.855396115e+01 1.76 4.475388005e+01 4.475388005e+01 1.78 4.119202312e+01 4.119202312e+01 1.80 3.785307095e+01 3.785307095e+01 1.82 3.472281138e+01 3.472281138e+01 1.84 3.177211930e+01 3.177211930e+01 1.86 2.902291957e+01 2.902291957e+01 1.88 2.644289724e+01 2.644289724e+01 1.90 2.403648260e+01 2.403648260e+01 1.92 2.178858001e+01 2.178858001e+01 1.94 1.968991734e+01 1.968991734e+01 1.96 1.773179082e+01 1.773179082e+01 1.98 1.590590192e+01 1.590590192e+01 2.00 1.420467762e+01 1.420467762e+01 2.02 1.262088119e+01 1.262088119e+01 2.04 1.114768008e+01 1.114768008e+01 2.06 9.778360336e+00 9.778360336e+00 2.08 8.506679933e+00 8.506679933e+00 2.10 7.327362790e+00 7.327362790e+00 2.12 6.234411469e+00 6.234411469e+00 2.14 5.223029661e+00 5.223029661e+00 2.16 4.288567019e+00 4.288567019e+00 2.18 3.426421897e+00 3.426421897e+00 2.20 2.632258540e+00 2.632258540e+00 2.22 1.901913046e+00 1.901913046e+00 2.24 1.231507680e+00 1.231507680e+00 2.26 6.175990200e-01 6.175990200e-01 2.28 5.644392785e-02 5.644392785e-02 2.30 -4.552976866e-01 -4.552976866e-01 2.32 -9.208925850e-01 -9.208925850e-01 2.34 -1.343228306e+00 -1.343228306e+00 2.36 -1.725136299e+00 -1.725136299e+00 2.38 -2.069296310e+00 -2.069296310e+00 2.40 -2.378245062e+00 -2.378245062e+00 2.42 -2.654113773e+00 -2.654113773e+00 2.44 -2.899014323e+00 -2.899014323e+00 2.46 -3.115526004e+00 -3.115526004e+00 2.48 -3.305680374e+00 -3.305680374e+00 2.50 -3.471397970e+00 -3.471397970e+00 2.52 -3.614266828e+00 -3.614266828e+00 2.54 -3.736163393e+00 -3.736163393e+00 2.56 -3.838740531e+00 -3.838740531e+00 2.58 -3.923508067e+00 -3.923508067e+00 2.60 -3.991870772e+00 -3.991870772e+00 2.62 -4.045147491e+00 -4.045147491e+00 2.64 -4.084617369e+00 -4.084617369e+00 2.66 -4.111672845e+00 -4.111672845e+00 2.68 -4.127308604e+00 -4.127308604e+00 2.70 -4.131932148e+00 -4.131932148e+00 2.72 -4.126985566e+00 -4.126985566e+00 2.74 -4.113365430e+00 -4.113365430e+00 2.76 -4.091889943e+00 -4.091889943e+00 2.78 -4.064426694e+00 -4.064426694e+00 2.80 -4.031241243e+00 -4.031241243e+00 2.82 -3.992281305e+00 -3.992281305e+00 2.84 -3.948165888e+00 -3.948165888e+00 2.86 -3.899468969e+00 -3.899468969e+00 2.88 -3.846718640e+00 -3.846718640e+00 2.90 -3.789933732e+00 -3.789933732e+00 2.92 -3.729946826e+00 -3.729946826e+00 2.94 -3.667328768e+00 -3.667328768e+00 2.96 -3.602452579e+00 -3.602452579e+00 2.98 -3.535673705e+00 -3.535673705e+00 3.00 -3.467318619e+00 -3.467318619e+00 3.02 -3.397686630e+00 -3.397686630e+00 3.04 -3.327107612e+00 -3.327107612e+00 3.06 -3.255055226e+00 -3.255055226e+00 3.08 -3.181625426e+00 -3.181625426e+00 3.10 -3.107901424e+00 -3.107901424e+00 3.12 -3.034146303e+00 -3.034146303e+00 3.14 -2.960527624e+00 -2.960527624e+00 3.16 -2.887194980e+00 -2.887194980e+00 3.18 -2.814283408e+00 -2.814283408e+00 3.20 -2.741914027e+00 -2.741914027e+00 3.22 -2.670195142e+00 -2.670195142e+00 3.24 -2.599205432e+00 -2.599205432e+00 3.26 -2.529958260e+00 -2.529958260e+00 3.28 -2.461874888e+00 -2.461874888e+00 3.30 -2.394700821e+00 -2.394700821e+00 3.32 -2.328496352e+00 -2.328496352e+00 3.34 -2.263315082e+00 -2.263315082e+00 3.36 -2.199203659e+00 -2.199203659e+00 3.38 -2.136201584e+00 -2.136201584e+00 3.40 -2.074346689e+00 -2.074346689e+00 3.42 -2.013722344e+00 -2.013722344e+00 3.44 -1.954286458e+00 -1.954286458e+00 3.46 -1.896058020e+00 -1.896058020e+00 3.48 -1.839052628e+00 -1.839052628e+00 3.50 -1.783275317e+00 -1.783275317e+00 3.52 -1.728734577e+00 -1.728734577e+00 3.54 -1.675437385e+00 -1.675437385e+00 3.56 -1.623352976e+00 -1.623352976e+00 3.58 -1.572433361e+00 -1.572433361e+00 3.60 -1.522650004e+00 -1.522650004e+00 3.62 -1.474045699e+00 -1.474045699e+00 3.64 -1.426663874e+00 -1.426663874e+00 3.66 -1.380445398e+00 -1.380445398e+00 3.68 -1.335288446e+00 -1.335288446e+00 3.70 -1.291147840e+00 -1.291147840e+00 3.72 -1.248091099e+00 -1.248091099e+00 3.74 -1.206187251e+00 -1.206187251e+00 3.76 -1.165468367e+00 -1.165468367e+00 3.78 -1.125898818e+00 -1.125898818e+00 3.80 -1.087448524e+00 -1.087448524e+00 3.82 -1.050091467e+00 -1.050091467e+00 3.84 -1.013792006e+00 -1.013792006e+00 3.86 -9.785149272e-01 -9.785149272e-01 3.88 -9.442499298e-01 -9.442499298e-01 3.90 -9.109893638e-01 -9.109893638e-01 3.92 -8.787255684e-01 -8.787255684e-01 3.94 -8.474227971e-01 -8.474227971e-01 3.96 -8.169155470e-01 -8.169155470e-01 3.98 -7.871926620e-01 -7.871926620e-01 4.00 -7.583442811e-01 -7.583442811e-01 4.02 -7.304365126e-01 -7.304365126e-01 4.04 -7.035153713e-01 -7.035153713e-01 4.06 -6.776101552e-01 -6.776101552e-01 4.08 -6.527368546e-01 -6.527368546e-01 4.10 -6.289824821e-01 -6.289824821e-01 4.12 -6.063858352e-01 -6.063858352e-01 4.14 -5.846997772e-01 -5.846997772e-01 4.16 -5.636826158e-01 -5.636826158e-01 4.18 -5.431528410e-01 -5.431528410e-01 4.20 -5.229777846e-01 -5.229777846e-01 4.22 -5.030640967e-01 -5.030640967e-01 4.24 -4.833497801e-01 -4.833497801e-01 4.26 -4.637975500e-01 -4.637975500e-01 4.28 -4.443893250e-01 -4.443893250e-01 4.30 -4.251216767e-01 -4.251216767e-01 4.32 -4.059938515e-01 -4.059938515e-01 4.34 -3.869970180e-01 -3.869970180e-01 4.36 -3.681392027e-01 -3.681392027e-01 4.38 -3.494764697e-01 -3.494764697e-01 4.40 -3.311319410e-01 -3.311319410e-01 4.42 -3.132023786e-01 -3.132023786e-01 4.44 -2.957617477e-01 -2.957617477e-01 4.46 -2.788650353e-01 -2.788650353e-01 4.48 -2.625514963e-01 -2.625514963e-01 4.50 -2.468474056e-01 -2.468474056e-01 4.52 -2.317683894e-01 -2.317683894e-01 4.54 -2.173213945e-01 -2.173213945e-01 4.56 -2.035061018e-01 -2.035061018e-01 4.58 -1.902959164e-01 -1.902959164e-01 4.60 -1.782770077e-01 -1.782770077e-01 4.62 -1.673782936e-01 -1.673782936e-01 4.64 -1.569820604e-01 -1.569820604e-01 4.66 -1.470925035e-01 -1.470925035e-01 4.68 -1.376922476e-01 -1.376922476e-01 4.70 -1.287631723e-01 -1.287631723e-01 4.72 -1.202867778e-01 -1.202867778e-01 4.74 -1.122444147e-01 -1.122444147e-01 4.76 -1.046174711e-01 -1.046174711e-01 4.78 -9.738752132e-02 -9.738752132e-02 4.80 -9.053377324e-02 -9.053377324e-02 4.82 -8.412030911e-02 -8.412030911e-02 4.84 -7.807615604e-02 -7.807615604e-02 4.86 -7.235138606e-02 -7.235138606e-02 4.88 -6.693038197e-02 -6.693038197e-02 4.90 -6.179808660e-02 -6.179808660e-02 4.92 -5.694001842e-02 -5.694001842e-02 4.94 -5.234227946e-02 -5.234227946e-02 4.96 -4.799155622e-02 -4.799155622e-02 4.98 -4.387511550e-02 -4.387511550e-02 5.00 -3.998079613e-02 -3.998079613e-02 5.02 -3.629699812e-02 -3.629699812e-02 5.04 -3.281266900e-02 -3.281266900e-02 5.06 -2.951728705e-02 -2.951728705e-02 5.08 -2.640084443e-02 -2.640084443e-02 5.10 -2.345382898e-02 -2.345382898e-02 5.12 -2.066720569e-02 -2.066720569e-02 5.14 -1.803239744e-02 -1.803239744e-02 5.16 -1.554126562e-02 -1.554126562e-02 5.18 -1.318609109e-02 -1.318609109e-02 5.20 -1.095955531e-02 -1.095955531e-02 5.22 -8.854721985e-03 -8.854721985e-03 5.24 -6.865018648e-03 -6.865018648e-03 5.26 -4.984177940e-03 -4.984177940e-03 5.28 -3.208988079e-03 -3.208988079e-03 5.30 -1.592095127e-03 -1.592095127e-03 5.32 -1.364193922e-03 -1.364193922e-03 5.34 -1.192194653e-03 -1.192194653e-03 5.36 -1.040686191e-03 -1.040686191e-03 5.38 -8.986328668e-04 -8.986328668e-04 5.40 -7.654592712e-04 -7.654592712e-04 5.42 -6.406240490e-04 -6.406240490e-04 5.44 -5.236179336e-04 -5.236179336e-04 5.46 -4.139619029e-04 -4.139619029e-04 5.48 -3.112054439e-04 -3.112054439e-04 5.50 -2.149249150e-04 -2.149249150e-04 5.52 -1.247219770e-04 -1.247219770e-04 5.54 -3.968152535e-05 -3.968152535e-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