# 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 = Ag2NiPd # 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 5.000118061e+02 5.000118061e+02 1.00 4.592086407e+02 4.592086407e+02 1.02 4.224569143e+02 4.224569143e+02 1.04 3.892782413e+02 3.892782413e+02 1.06 3.592545652e+02 3.592545652e+02 1.08 3.320178434e+02 3.320178434e+02 1.10 3.072493388e+02 3.072493388e+02 1.12 2.846712373e+02 2.846712373e+02 1.14 2.640396734e+02 2.640396734e+02 1.16 2.451467689e+02 2.451467689e+02 1.18 2.278041988e+02 2.278041988e+02 1.20 2.118509058e+02 2.118509058e+02 1.22 1.971438303e+02 1.971438303e+02 1.24 1.835608725e+02 1.835608725e+02 1.26 1.709922997e+02 1.709922997e+02 1.28 1.593410289e+02 1.593410289e+02 1.30 1.485215714e+02 1.485215714e+02 1.32 1.384617169e+02 1.384617169e+02 1.34 1.290954773e+02 1.290954773e+02 1.36 1.203652163e+02 1.203652163e+02 1.38 1.122196143e+02 1.122196143e+02 1.40 1.046116421e+02 1.046116421e+02 1.42 9.749855077e+01 9.749855077e+01 1.44 9.084559164e+01 9.084559164e+01 1.46 8.461968053e+01 8.461968053e+01 1.48 7.879018825e+01 7.879018825e+01 1.50 7.333027162e+01 7.333027162e+01 1.52 6.821544114e+01 6.821544114e+01 1.54 6.342207936e+01 6.342207936e+01 1.56 5.892929728e+01 5.892929728e+01 1.58 5.471839425e+01 5.471839425e+01 1.60 5.077250719e+01 5.077250719e+01 1.62 4.707369440e+01 4.707369440e+01 1.64 4.360808265e+01 4.360808265e+01 1.66 4.036188160e+01 4.036188160e+01 1.68 3.732197355e+01 3.732197355e+01 1.70 3.447580602e+01 3.447580602e+01 1.72 3.181091368e+01 3.181091368e+01 1.74 2.931770288e+01 2.931770288e+01 1.76 2.698595023e+01 2.698595023e+01 1.78 2.480551640e+01 2.480551640e+01 1.80 2.276771684e+01 2.276771684e+01 1.82 2.086431383e+01 2.086431383e+01 1.84 1.905432701e+01 1.905432701e+01 1.86 1.737400818e+01 1.737400818e+01 1.88 1.581195758e+01 1.581195758e+01 1.90 1.434496963e+01 1.434496963e+01 1.92 1.296567752e+01 1.296567752e+01 1.94 1.167038711e+01 1.167038711e+01 1.96 1.045551088e+01 1.045551088e+01 1.98 9.317021566e+00 9.317021566e+00 2.00 8.251481741e+00 8.251481741e+00 2.02 7.255339216e+00 7.255339216e+00 2.04 6.325131889e+00 6.325131889e+00 2.06 5.457324608e+00 5.457324608e+00 2.08 4.648608288e+00 4.648608288e+00 2.10 3.896077772e+00 3.896077772e+00 2.12 3.196599448e+00 3.196599448e+00 2.14 2.547545821e+00 2.547545821e+00 2.16 1.946523547e+00 1.946523547e+00 2.18 1.390873227e+00 1.390873227e+00 2.20 8.778244161e-01 8.778244161e-01 2.22 4.048721556e-01 4.048721556e-01 2.24 -3.019029735e-02 -3.019029735e-02 2.26 -4.295103281e-01 -4.295103281e-01 2.28 -7.951765156e-01 -7.951765156e-01 2.30 -1.129195349e+00 -1.129195349e+00 2.32 -1.433498315e+00 -1.433498315e+00 2.34 -1.709672681e+00 -1.709672681e+00 2.36 -1.959604066e+00 -1.959604066e+00 2.38 -2.184957903e+00 -2.184957903e+00 2.40 -2.387288382e+00 -2.387288382e+00 2.42 -2.568116218e+00 -2.568116218e+00 2.44 -2.728508091e+00 -2.728508091e+00 2.46 -2.869931847e+00 -2.869931847e+00 2.48 -2.993839287e+00 -2.993839287e+00 2.50 -3.101432634e+00 -3.101432634e+00 2.52 -3.194210629e+00 -3.194210629e+00 2.54 -3.273039883e+00 -3.273039883e+00 2.56 -3.338757341e+00 -3.338757341e+00 2.58 -3.392334594e+00 -3.392334594e+00 2.60 -3.434691187e+00 -3.434691187e+00 2.62 -3.466624014e+00 -3.466624014e+00 2.64 -3.489004470e+00 -3.489004470e+00 2.66 -3.502686326e+00 -3.502686326e+00 2.68 -3.508377066e+00 -3.508377066e+00 2.70 -3.506438326e+00 -3.506438326e+00 2.72 -3.497762731e+00 -3.497762731e+00 2.74 -3.482978500e+00 -3.482978500e+00 2.76 -3.462645334e+00 -3.462645334e+00 2.78 -3.437558409e+00 -3.437558409e+00 2.80 -3.408136658e+00 -3.408136658e+00 2.82 -3.374125976e+00 -3.374125976e+00 2.84 -3.336418733e+00 -3.336418733e+00 2.86 -3.295469452e+00 -3.295469452e+00 2.88 -3.251646797e+00 -3.251646797e+00 2.90 -3.205312876e+00 -3.205312876e+00 2.92 -3.156983260e+00 -3.156983260e+00 2.94 -3.106722853e+00 -3.106722853e+00 2.96 -3.055083393e+00 -3.055083393e+00 2.98 -3.002013217e+00 -3.002013217e+00 3.00 -2.947742751e+00 -2.947742751e+00 3.02 -2.892532562e+00 -2.892532562e+00 3.04 -2.835824377e+00 -2.835824377e+00 3.06 -2.778199889e+00 -2.778199889e+00 3.08 -2.720202019e+00 -2.720202019e+00 3.10 -2.661982271e+00 -2.661982271e+00 3.12 -2.603675360e+00 -2.603675360e+00 3.14 -2.545403082e+00 -2.545403082e+00 3.16 -2.487275925e+00 -2.487275925e+00 3.18 -2.429393881e+00 -2.429393881e+00 3.20 -2.371847201e+00 -2.371847201e+00 3.22 -2.314717112e+00 -2.314717112e+00 3.24 -2.258070759e+00 -2.258070759e+00 3.26 -2.202274574e+00 -2.202274574e+00 3.28 -2.147175102e+00 -2.147175102e+00 3.30 -2.092719628e+00 -2.092719628e+00 3.32 -2.038954607e+00 -2.038954607e+00 3.34 -1.985920653e+00 -1.985920653e+00 3.36 -1.933653975e+00 -1.933653975e+00 3.38 -1.882185090e+00 -1.882185090e+00 3.40 -1.831545734e+00 -1.831545734e+00 3.42 -1.781900604e+00 -1.781900604e+00 3.44 -1.733125080e+00 -1.733125080e+00 3.46 -1.685098857e+00 -1.685098857e+00 3.48 -1.637835349e+00 -1.637835349e+00 3.50 -1.591465217e+00 -1.591465217e+00 3.52 -1.546023464e+00 -1.546023464e+00 3.54 -1.501493541e+00 -1.501493541e+00 3.56 -1.457879793e+00 -1.457879793e+00 3.58 -1.415177587e+00 -1.415177587e+00 3.60 -1.373330682e+00 -1.373330682e+00 3.62 -1.332298690e+00 -1.332298690e+00 3.64 -1.292112732e+00 -1.292112732e+00 3.66 -1.252825260e+00 -1.252825260e+00 3.68 -1.214451936e+00 -1.214451936e+00 3.70 -1.176986384e+00 -1.176986384e+00 3.72 -1.140415895e+00 -1.140415895e+00 3.74 -1.104720771e+00 -1.104720771e+00 3.76 -1.069862808e+00 -1.069862808e+00 3.78 -1.035839626e+00 -1.035839626e+00 3.80 -1.002656563e+00 -1.002656563e+00 3.82 -9.703045441e-01 -9.703045441e-01 3.84 -9.387908884e-01 -9.387908884e-01 3.86 -9.079249835e-01 -9.079249835e-01 3.88 -8.776720153e-01 -8.776720153e-01 3.90 -8.481610387e-01 -8.481610387e-01 3.92 -8.194282584e-01 -8.194282584e-01 3.94 -7.915987166e-01 -7.915987166e-01 3.96 -7.647750471e-01 -7.647750471e-01 3.98 -7.390272675e-01 -7.390272675e-01 4.00 -7.144991440e-01 -7.144991440e-01 4.02 -6.912785349e-01 -6.912785349e-01 4.04 -6.690413069e-01 -6.690413069e-01 4.06 -6.475420582e-01 -6.475420582e-01 4.08 -6.264411028e-01 -6.264411028e-01 4.10 -6.054848582e-01 -6.054848582e-01 4.12 -5.845017013e-01 -5.845017013e-01 4.14 -5.633859688e-01 -5.633859688e-01 4.16 -5.421300949e-01 -5.421300949e-01 4.18 -5.210138207e-01 -5.210138207e-01 4.20 -4.996843216e-01 -4.996843216e-01 4.22 -4.781775469e-01 -4.781775469e-01 4.24 -4.564918943e-01 -4.564918943e-01 4.26 -4.346568179e-01 -4.346568179e-01 4.28 -4.128181389e-01 -4.128181389e-01 4.30 -3.911722765e-01 -3.911722765e-01 4.32 -3.698930742e-01 -3.698930742e-01 4.34 -3.491141097e-01 -3.491141097e-01 4.36 -3.289357553e-01 -3.289357553e-01 4.38 -3.094311153e-01 -3.094311153e-01 4.40 -2.906510082e-01 -2.906510082e-01 4.42 -2.726281410e-01 -2.726281410e-01 4.44 -2.553805933e-01 -2.553805933e-01 4.46 -2.389147259e-01 -2.389147259e-01 4.48 -2.232276031e-01 -2.232276031e-01 4.50 -2.083089972e-01 -2.083089972e-01 4.52 -1.941430461e-01 -1.941430461e-01 4.54 -1.807096201e-01 -1.807096201e-01 4.56 -1.679853288e-01 -1.679853288e-01 4.58 -1.559347666e-01 -1.559347666e-01 4.60 -1.448124863e-01 -1.448124863e-01 4.62 -1.345616109e-01 -1.345616109e-01 4.64 -1.248701192e-01 -1.248701192e-01 4.66 -1.157208839e-01 -1.157208839e-01 4.68 -1.070874291e-01 -1.070874291e-01 4.70 -9.894378701e-02 -9.894378701e-02 4.72 -9.126468405e-02 -9.126468405e-02 4.74 -8.402565000e-02 -8.402565000e-02 4.76 -7.720309555e-02 -7.720309555e-02 4.78 -7.077840978e-02 -7.077840978e-02 4.80 -6.472752328e-02 -6.472752328e-02 4.82 -6.017847574e-02 -6.017847574e-02 4.84 -5.596932846e-02 -5.596932846e-02 4.86 -5.199533945e-02 -5.199533945e-02 4.88 -4.824377580e-02 -4.824377580e-02 4.90 -4.470247392e-02 -4.470247392e-02 4.92 -4.135989505e-02 -4.135989505e-02 4.94 -3.820510084e-02 -3.820510084e-02 4.96 -3.522772786e-02 -3.522772786e-02 4.98 -3.241796216e-02 -3.241796216e-02 5.00 -2.976651410e-02 -2.976651410e-02 5.02 -2.726459384e-02 -2.726459384e-02 5.04 -2.490388723e-02 -2.490388723e-02 5.06 -2.267653174e-02 -2.267653174e-02 5.08 -2.057509376e-02 -2.057509376e-02 5.10 -1.859254655e-02 -1.859254655e-02 5.12 -1.672224931e-02 -1.672224931e-02 5.14 -1.495792671e-02 -1.495792671e-02 5.16 -1.329364946e-02 -1.329364946e-02 5.18 -1.172381573e-02 -1.172381573e-02 5.20 -1.024313363e-02 -1.024313363e-02 5.22 -8.846604484e-03 -8.846604484e-03 5.24 -7.529506708e-03 -7.529506708e-03 5.26 -6.287363565e-03 -6.287363565e-03 5.28 -5.117076882e-03 -5.117076882e-03 5.30 -4.038826157e-03 -4.038826157e-03 5.32 -3.561979050e-03 -3.561979050e-03 5.34 -3.132304731e-03 -3.132304731e-03 5.36 -2.733633179e-03 -2.733633179e-03 5.38 -2.359999288e-03 -2.359999288e-03 5.40 -2.009861050e-03 -2.009861050e-03 5.42 -1.681769743e-03 -1.681769743e-03 5.44 -1.374364346e-03 -1.374364346e-03 5.46 -1.086366302e-03 -1.086366302e-03 5.48 -8.165746153e-04 -8.165746153e-04 5.50 -5.638612352e-04 -5.638612352e-04 5.52 -3.271666558e-04 -3.271666558e-04 5.54 -1.040778237e-04 -1.040778237e-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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