# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au # implementation = 2004--Zhou-X-W--Cu-Ag-Au--LAMMPS--ipr2 # composition = Ag2AuCu # 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 4.687789729e+02 4.687789729e+02 1.12 4.326536081e+02 4.326536081e+02 1.14 3.994661853e+02 3.994661853e+02 1.16 3.689564629e+02 3.689564629e+02 1.18 3.408878395e+02 3.408878395e+02 1.20 3.150444261e+02 3.150444261e+02 1.22 2.912295205e+02 2.912295205e+02 1.24 2.692660191e+02 2.692660191e+02 1.26 2.489967789e+02 2.489967789e+02 1.28 2.302826444e+02 2.302826444e+02 1.30 2.129983489e+02 2.129983489e+02 1.32 1.970287729e+02 1.970287729e+02 1.34 1.822673556e+02 1.822673556e+02 1.36 1.686161071e+02 1.686161071e+02 1.38 1.559855974e+02 1.559855974e+02 1.40 1.442943162e+02 1.442943162e+02 1.42 1.334676801e+02 1.334676801e+02 1.44 1.234371523e+02 1.234371523e+02 1.46 1.141396794e+02 1.141396794e+02 1.48 1.055175274e+02 1.055175274e+02 1.50 9.751829695e+01 9.751829695e+01 1.52 9.009462513e+01 9.009462513e+01 1.54 8.320347347e+01 8.320347347e+01 1.56 7.680525546e+01 7.680525546e+01 1.58 7.086321808e+01 7.086321808e+01 1.60 6.534325260e+01 6.534325260e+01 1.62 6.021393239e+01 6.021393239e+01 1.64 5.544650374e+01 5.544650374e+01 1.66 5.101472339e+01 5.101472339e+01 1.68 4.689461421e+01 4.689461421e+01 1.70 4.306423547e+01 4.306423547e+01 1.72 3.950344299e+01 3.950344299e+01 1.74 3.619360803e+01 3.619360803e+01 1.76 3.311729388e+01 3.311729388e+01 1.78 3.025802520e+01 3.025802520e+01 1.80 2.760022937e+01 2.760022937e+01 1.82 2.512931176e+01 2.512931176e+01 1.84 2.283233618e+01 2.283233618e+01 1.86 2.070253362e+01 2.070253362e+01 1.88 1.872926322e+01 1.872926322e+01 1.90 1.690294523e+01 1.690294523e+01 1.92 1.521348354e+01 1.521348354e+01 1.94 1.365086196e+01 1.365086196e+01 1.96 1.220577433e+01 1.220577433e+01 1.98 1.086963529e+01 1.086963529e+01 2.00 9.634580422e+00 9.634580422e+00 2.02 8.493431643e+00 8.493431643e+00 2.04 7.439619845e+00 7.439619845e+00 2.06 6.467092951e+00 6.467092951e+00 2.08 5.570230236e+00 5.570230236e+00 2.10 4.743777739e+00 4.743777739e+00 2.12 3.982808039e+00 3.982808039e+00 2.14 3.282699475e+00 3.282699475e+00 2.16 2.639128406e+00 2.639128406e+00 2.18 2.048055545e+00 2.048055545e+00 2.20 1.505731301e+00 1.505731301e+00 2.22 1.008674082e+00 1.008674082e+00 2.24 5.536538070e-01 5.536538070e-01 2.26 1.376672140e-01 1.376672140e-01 2.28 -2.420884499e-01 -2.420884499e-01 2.30 -5.882363812e-01 -5.882363812e-01 2.32 -9.032387644e-01 -9.032387644e-01 2.34 -1.189390630e+00 -1.189390630e+00 2.36 -1.448821787e+00 -1.448821787e+00 2.38 -1.683491347e+00 -1.683491347e+00 2.40 -1.895191973e+00 -1.895191973e+00 2.42 -2.085564909e+00 -2.085564909e+00 2.44 -2.256123000e+00 -2.256123000e+00 2.46 -2.408275805e+00 -2.408275805e+00 2.48 -2.543351409e+00 -2.543351409e+00 2.50 -2.662612145e+00 -2.662612145e+00 2.52 -2.767262349e+00 -2.767262349e+00 2.54 -2.858463633e+00 -2.858463633e+00 2.56 -2.937329402e+00 -2.937329402e+00 2.58 -3.005006728e+00 -3.005006728e+00 2.60 -3.062655345e+00 -3.062655345e+00 2.62 -3.111192033e+00 -3.111192033e+00 2.64 -3.151198555e+00 -3.151198555e+00 2.66 -3.183265243e+00 -3.183265243e+00 2.68 -3.207969537e+00 -3.207969537e+00 2.70 -3.225859130e+00 -3.225859130e+00 2.72 -3.237442094e+00 -3.237442094e+00 2.74 -3.243179859e+00 -3.243179859e+00 2.76 -3.243511977e+00 -3.243511977e+00 2.78 -3.238934144e+00 -3.238934144e+00 2.80 -3.229920322e+00 -3.229920322e+00 2.82 -3.216597946e+00 -3.216597946e+00 2.84 -3.199088315e+00 -3.199088315e+00 2.86 -3.177526600e+00 -3.177526600e+00 2.88 -3.152062276e+00 -3.152062276e+00 2.90 -3.122861586e+00 -3.122861586e+00 2.92 -3.090110171e+00 -3.090110171e+00 2.94 -3.054016611e+00 -3.054016611e+00 2.96 -3.014825261e+00 -3.014825261e+00 2.98 -2.972810792e+00 -2.972810792e+00 3.00 -2.928269576e+00 -2.928269576e+00 3.02 -2.881518205e+00 -2.881518205e+00 3.04 -2.832889152e+00 -2.832889152e+00 3.06 -2.782722866e+00 -2.782722866e+00 3.08 -2.731356609e+00 -2.731356609e+00 3.10 -2.679111348e+00 -2.679111348e+00 3.12 -2.626278879e+00 -2.626278879e+00 3.14 -2.573111584e+00 -2.573111584e+00 3.16 -2.519816582e+00 -2.519816582e+00 3.18 -2.466554923e+00 -2.466554923e+00 3.20 -2.413445219e+00 -2.413445219e+00 3.22 -2.360570367e+00 -2.360570367e+00 3.24 -2.307984072e+00 -2.307984072e+00 3.26 -2.255726032e+00 -2.255726032e+00 3.28 -2.203818336e+00 -2.203818336e+00 3.30 -2.152279312e+00 -2.152279312e+00 3.32 -2.101126025e+00 -2.101126025e+00 3.34 -2.050377439e+00 -2.050377439e+00 3.36 -2.000056310e+00 -2.000056310e+00 3.38 -1.950184165e+00 -1.950184165e+00 3.40 -1.900805776e+00 -1.900805776e+00 3.42 -1.851949527e+00 -1.851949527e+00 3.44 -1.803653709e+00 -1.803653709e+00 3.46 -1.755957675e+00 -1.755957675e+00 3.48 -1.708900278e+00 -1.708900278e+00 3.50 -1.662518376e+00 -1.662518376e+00 3.52 -1.616845534e+00 -1.616845534e+00 3.54 -1.571910982e+00 -1.571910982e+00 3.56 -1.527738899e+00 -1.527738899e+00 3.58 -1.484347999e+00 -1.484347999e+00 3.60 -1.441751453e+00 -1.441751453e+00 3.62 -1.399957101e+00 -1.399957101e+00 3.64 -1.358967950e+00 -1.358967950e+00 3.66 -1.318782927e+00 -1.318782927e+00 3.68 -1.279397854e+00 -1.279397854e+00 3.70 -1.240806589e+00 -1.240806589e+00 3.72 -1.203002273e+00 -1.203002273e+00 3.74 -1.165978565e+00 -1.165978565e+00 3.76 -1.129730751e+00 -1.129730751e+00 3.78 -1.094256562e+00 -1.094256562e+00 3.80 -1.059556582e+00 -1.059556582e+00 3.82 -1.025634104e+00 -1.025634104e+00 3.84 -9.924944363e-01 -9.924944363e-01 3.86 -9.601436854e-01 -9.601436854e-01 3.88 -9.285871973e-01 -9.285871973e-01 3.90 -8.978278791e-01 -8.978278791e-01 3.92 -8.678646644e-01 -8.678646644e-01 3.94 -8.386913467e-01 -8.386913467e-01 3.96 -8.102921278e-01 -8.102921278e-01 3.98 -7.826574199e-01 -7.826574199e-01 4.00 -7.557592401e-01 -7.557592401e-01 4.02 -7.295695938e-01 -7.295695938e-01 4.04 -7.040568856e-01 -7.040568856e-01 4.06 -6.791871200e-01 -6.791871200e-01 4.08 -6.549251412e-01 -6.549251412e-01 4.10 -6.312358558e-01 -6.312358558e-01 4.12 -6.080854136e-01 -6.080854136e-01 4.14 -5.854423416e-01 -5.854423416e-01 4.16 -5.632786297e-01 -5.632786297e-01 4.18 -5.415707585e-01 -5.415707585e-01 4.20 -5.203006414e-01 -5.203006414e-01 4.22 -4.994564320e-01 -4.994564320e-01 4.24 -4.790331278e-01 -4.790331278e-01 4.26 -4.590328909e-01 -4.590328909e-01 4.28 -4.394650094e-01 -4.394650094e-01 4.30 -4.203454412e-01 -4.203454412e-01 4.32 -4.016959184e-01 -4.016959184e-01 4.34 -3.835426342e-01 -3.835426342e-01 4.36 -3.659145840e-01 -3.659145840e-01 4.38 -3.488416721e-01 -3.488416721e-01 4.40 -3.323527223e-01 -3.323527223e-01 4.42 -3.164735353e-01 -3.164735353e-01 4.44 -3.012251327e-01 -3.012251327e-01 4.46 -2.866222970e-01 -2.866222970e-01 4.48 -2.726724959e-01 -2.726724959e-01 4.50 -2.593752417e-01 -2.593752417e-01 4.52 -2.467219054e-01 -2.467219054e-01 4.54 -2.346959711e-01 -2.346959711e-01 4.56 -2.232736857e-01 -2.232736857e-01 4.58 -2.124250292e-01 -2.124250292e-01 4.60 -2.021149156e-01 -2.021149156e-01 4.62 -1.923045256e-01 -1.923045256e-01 4.64 -1.829526762e-01 -1.829526762e-01 4.66 -1.740171488e-01 -1.740171488e-01 4.68 -1.654559185e-01 -1.654559185e-01 4.70 -1.572282502e-01 -1.572282502e-01 4.72 -1.492956484e-01 -1.492956484e-01 4.74 -1.416226637e-01 -1.416226637e-01 4.76 -1.341775691e-01 -1.341775691e-01 4.78 -1.269329201e-01 -1.269329201e-01 4.80 -1.198660107e-01 -1.198660107e-01 4.82 -1.129592288e-01 -1.129592288e-01 4.84 -1.062003058e-01 -1.062003058e-01 4.86 -9.958244300e-02 -9.958244300e-02 4.88 -9.310429123e-02 -9.310429123e-02 4.90 -8.676975582e-02 -8.676975582e-02 4.92 -8.058760099e-02 -8.058760099e-02 4.94 -7.457083814e-02 -7.457083814e-02 4.96 -6.873589844e-02 -6.873589844e-02 4.98 -6.310161277e-02 -6.310161277e-02 5.00 -5.768804601e-02 -5.768804601e-02 5.02 -5.251525297e-02 -5.251525297e-02 5.04 -4.760204561e-02 -4.760204561e-02 5.06 -4.296485894e-02 -4.296485894e-02 5.08 -3.861680060e-02 -3.861680060e-02 5.10 -3.456695050e-02 -3.456695050e-02 5.12 -3.081978766e-02 -3.081978766e-02 5.14 -2.737522005e-02 -2.737522005e-02 5.16 -2.422915949e-02 -2.422915949e-02 5.18 -2.137345127e-02 -2.137345127e-02 5.20 -1.879644840e-02 -1.879644840e-02 5.22 -1.648352861e-02 -1.648352861e-02 5.24 -1.441807273e-02 -1.441807273e-02 5.26 -1.258238446e-02 -1.258238446e-02 5.28 -1.095797031e-02 -1.095797031e-02 5.30 -9.526132268e-03 -9.526132268e-03 5.32 -8.268456849e-03 -8.268456849e-03 5.34 -7.167194872e-03 -7.167194872e-03 5.36 -6.205538178e-03 -6.205538178e-03 5.38 -5.367804607e-03 -5.367804607e-03 5.40 -4.639545347e-03 -4.639545347e-03 5.42 -4.007589517e-03 -4.007589517e-03 5.44 -3.460040253e-03 -3.460040253e-03 5.46 -2.986235112e-03 -2.986235112e-03 5.48 -2.576681763e-03 -2.576681763e-03 5.50 -2.222977952e-03 -2.222977952e-03 5.52 -1.917722801e-03 -1.917722801e-03 5.54 -1.654424842e-03 -1.654424842e-03 5.56 -1.427410698e-03 -1.427410698e-03 5.58 -1.231737139e-03 -1.231737139e-03 5.60 -1.061014499e-03 -1.061014499e-03 5.62 -9.159905987e-04 -9.159905987e-04 5.64 -7.910222832e-04 -7.910222832e-04 5.66 -6.833288118e-04 -6.833288118e-04 5.68 -5.905100439e-04 -5.905100439e-04 5.70 -5.104965020e-04 -5.104965020e-04 5.72 -4.415053108e-04 -4.415053108e-04 5.74 -3.820015175e-04 -3.820015175e-04 5.76 -3.306642812e-04 -3.306642812e-04 5.78 -2.863574252e-04 -2.863574252e-04 5.80 -2.481038625e-04 -2.481038625e-04 5.82 -2.150634433e-04 -2.150634433e-04 5.84 -1.865138035e-04 -1.865138035e-04 5.86 -1.618338377e-04 -1.618338377e-04 5.88 -1.404894562e-04 -1.404894562e-04 5.90 -1.220213247e-04 -1.220213247e-04 5.92 -1.060343213e-04 -1.060343213e-04 5.94 -9.218847529e-05 -9.218847529e-05 5.96 -8.019118554e-05 -8.019118554e-05 5.98 -6.979053921e-05 -6.979053921e-05 6.00 -6.076957785e-05 -6.076957785e-05