# 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-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CuMgPb2 # 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 2024-04-11 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 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.202952299e+02 3.202952299e+02 1.30 2.983359347e+02 2.983359347e+02 1.32 2.779477411e+02 2.779477411e+02 1.34 2.590085488e+02 2.590085488e+02 1.36 2.414046513e+02 2.414046513e+02 1.38 2.250303176e+02 2.250303176e+02 1.40 2.097884891e+02 2.097884891e+02 1.42 1.955914997e+02 1.955914997e+02 1.44 1.823607536e+02 1.823607536e+02 1.46 1.700253914e+02 1.700253914e+02 1.48 1.585207588e+02 1.585207588e+02 1.50 1.477872859e+02 1.477872859e+02 1.52 1.377697701e+02 1.377697701e+02 1.54 1.284169294e+02 1.284169294e+02 1.56 1.196810574e+02 1.196810574e+02 1.58 1.115178604e+02 1.115178604e+02 1.60 1.038864165e+02 1.038864165e+02 1.62 9.674922573e+01 9.674922573e+01 1.64 9.007331573e+01 9.007331573e+01 1.66 8.383958933e+01 8.383958933e+01 1.68 7.802131263e+01 7.802131263e+01 1.70 7.259087893e+01 7.259087893e+01 1.72 6.752261367e+01 6.752261367e+01 1.74 6.279243417e+01 6.279243417e+01 1.76 5.837769700e+01 5.837769700e+01 1.78 5.425710739e+01 5.425710739e+01 1.80 5.041061959e+01 5.041061959e+01 1.82 4.681939694e+01 4.681939694e+01 1.84 4.346583110e+01 4.346583110e+01 1.86 4.033358693e+01 4.033358693e+01 1.88 3.740759586e+01 3.740759586e+01 1.90 3.467396163e+01 3.467396163e+01 1.92 3.211981429e+01 3.211981429e+01 1.94 2.973321018e+01 2.973321018e+01 1.96 2.750304308e+01 2.750304308e+01 1.98 2.541899053e+01 2.541899053e+01 2.00 2.347145593e+01 2.347145593e+01 2.02 2.165150780e+01 2.165150780e+01 2.04 1.995082534e+01 1.995082534e+01 2.06 1.836166285e+01 1.836166285e+01 2.08 1.687683217e+01 1.687683217e+01 2.10 1.548967820e+01 1.548967820e+01 2.12 1.419405061e+01 1.419405061e+01 2.14 1.298424667e+01 1.298424667e+01 2.16 1.185494994e+01 1.185494994e+01 2.18 1.080117268e+01 1.080117268e+01 2.20 9.818210799e+00 9.818210799e+00 2.22 8.901620374e+00 8.901620374e+00 2.24 8.047210928e+00 8.047210928e+00 2.26 7.251048199e+00 7.251048199e+00 2.28 6.509454747e+00 6.509454747e+00 2.30 5.818997937e+00 5.818997937e+00 2.32 5.176456269e+00 5.176456269e+00 2.34 4.578796040e+00 4.578796040e+00 2.36 4.023131732e+00 4.023131732e+00 2.38 3.506709557e+00 3.506709557e+00 2.40 3.026903588e+00 3.026903588e+00 2.42 2.581223758e+00 2.581223758e+00 2.44 2.167330746e+00 2.167330746e+00 2.46 1.783050430e+00 1.783050430e+00 2.48 1.426383086e+00 1.426383086e+00 2.50 1.095503308e+00 1.095503308e+00 2.52 7.887499591e-01 7.887499591e-01 2.54 5.046084373e-01 5.046084373e-01 2.56 2.416892203e-01 2.416892203e-01 2.58 -1.293648031e-03 -1.293648031e-03 2.60 -2.255419683e-01 -2.255419683e-01 2.62 -4.321887964e-01 -4.321887964e-01 2.64 -6.223169691e-01 -6.223169691e-01 2.66 -7.969615312e-01 -7.969615312e-01 2.68 -9.572604400e-01 -9.572604400e-01 2.70 -1.104212526e+00 -1.104212526e+00 2.72 -1.238552865e+00 -1.238552865e+00 2.74 -1.361010699e+00 -1.361010699e+00 2.76 -1.472298990e+00 -1.472298990e+00 2.78 -1.573103158e+00 -1.573103158e+00 2.80 -1.664074839e+00 -1.664074839e+00 2.82 -1.745823926e+00 -1.745823926e+00 2.84 -1.818920625e+00 -1.818920625e+00 2.86 -1.883908786e+00 -1.883908786e+00 2.88 -1.941308654e+00 -1.941308654e+00 2.90 -1.991607107e+00 -1.991607107e+00 2.92 -2.035262248e+00 -2.035262248e+00 2.94 -2.072707922e+00 -2.072707922e+00 2.96 -2.104357064e+00 -2.104357064e+00 2.98 -2.130604042e+00 -2.130604042e+00 3.00 -2.151826260e+00 -2.151826260e+00 3.02 -2.168385261e+00 -2.168385261e+00 3.04 -2.180626621e+00 -2.180626621e+00 3.06 -2.188884266e+00 -2.188884266e+00 3.08 -2.193475197e+00 -2.193475197e+00 3.10 -2.194761507e+00 -2.194761507e+00 3.12 -2.193022716e+00 -2.193022716e+00 3.14 -2.188473909e+00 -2.188473909e+00 3.16 -2.181327471e+00 -2.181327471e+00 3.18 -2.171794878e+00 -2.171794878e+00 3.20 -2.160080821e+00 -2.160080821e+00 3.22 -2.146378892e+00 -2.146378892e+00 3.24 -2.130867906e+00 -2.130867906e+00 3.26 -2.113707840e+00 -2.113707840e+00 3.28 -2.095026891e+00 -2.095026891e+00 3.30 -2.074931108e+00 -2.074931108e+00 3.32 -2.053521200e+00 -2.053521200e+00 3.34 -2.030898732e+00 -2.030898732e+00 3.36 -2.007136179e+00 -2.007136179e+00 3.38 -1.982303831e+00 -1.982303831e+00 3.40 -1.956473132e+00 -1.956473132e+00 3.42 -1.929718514e+00 -1.929718514e+00 3.44 -1.902114838e+00 -1.902114838e+00 3.46 -1.873738421e+00 -1.873738421e+00 3.48 -1.844665691e+00 -1.844665691e+00 3.50 -1.814971998e+00 -1.814971998e+00 3.52 -1.784722854e+00 -1.784722854e+00 3.54 -1.753967288e+00 -1.753967288e+00 3.56 -1.722753722e+00 -1.722753722e+00 3.58 -1.691131017e+00 -1.691131017e+00 3.60 -1.659148249e+00 -1.659148249e+00 3.62 -1.626854892e+00 -1.626854892e+00 3.64 -1.594301319e+00 -1.594301319e+00 3.66 -1.561539486e+00 -1.561539486e+00 3.68 -1.528623608e+00 -1.528623608e+00 3.70 -1.495610671e+00 -1.495610671e+00 3.72 -1.462560618e+00 -1.462560618e+00 3.74 -1.429536115e+00 -1.429536115e+00 3.76 -1.396601880e+00 -1.396601880e+00 3.78 -1.363823633e+00 -1.363823633e+00 3.80 -1.331266786e+00 -1.331266786e+00 3.82 -1.298994986e+00 -1.298994986e+00 3.84 -1.267068648e+00 -1.267068648e+00 3.86 -1.235543556e+00 -1.235543556e+00 3.88 -1.204469578e+00 -1.204469578e+00 3.90 -1.173889585e+00 -1.173889585e+00 3.92 -1.143837757e+00 -1.143837757e+00 3.94 -1.114342674e+00 -1.114342674e+00 3.96 -1.085421536e+00 -1.085421536e+00 3.98 -1.057084421e+00 -1.057084421e+00 4.00 -1.029333873e+00 -1.029333873e+00 4.02 -1.002165813e+00 -1.002165813e+00 4.04 -9.755706072e-01 -9.755706072e-01 4.06 -9.495341898e-01 -9.495341898e-01 4.08 -9.240391265e-01 -9.240391265e-01 4.10 -8.990633747e-01 -8.990633747e-01 4.12 -8.745903512e-01 -8.745903512e-01 4.14 -8.505951407e-01 -8.505951407e-01 4.16 -8.270553167e-01 -8.270553167e-01 4.18 -8.039488292e-01 -8.039488292e-01 4.20 -7.812545784e-01 -7.812545784e-01 4.22 -7.589530074e-01 -7.589530074e-01 4.24 -7.370267357e-01 -7.370267357e-01 4.26 -7.154612350e-01 -7.154612350e-01 4.28 -6.942455278e-01 -6.942455278e-01 4.30 -6.733728703e-01 -6.733728703e-01 4.32 -6.528413550e-01 -6.528413550e-01 4.34 -6.326543545e-01 -6.326543545e-01 4.36 -6.128207173e-01 -6.128207173e-01 4.38 -5.933546326e-01 -5.933546326e-01 4.40 -5.742751024e-01 -5.742751024e-01 4.42 -5.556049989e-01 -5.556049989e-01 4.44 -5.373697411e-01 -5.373697411e-01 4.46 -5.195956789e-01 -5.195956789e-01 4.48 -5.023083301e-01 -5.023083301e-01 4.50 -4.855306416e-01 -4.855306416e-01 4.52 -4.692814544e-01 -4.692814544e-01 4.54 -4.535743214e-01 -4.535743214e-01 4.56 -4.384167745e-01 -4.384167745e-01 4.58 -4.238100763e-01 -4.238100763e-01 4.60 -4.097494219e-01 -4.097494219e-01 4.62 -3.962245125e-01 -3.962245125e-01 4.64 -3.832203890e-01 -3.832203890e-01 4.66 -3.707184077e-01 -3.707184077e-01 4.68 -3.586972508e-01 -3.586972508e-01 4.70 -3.471338871e-01 -3.471338871e-01 4.72 -3.360044217e-01 -3.360044217e-01 4.74 -3.252848048e-01 -3.252848048e-01 4.76 -3.149513869e-01 -3.149513869e-01 4.78 -3.049813273e-01 -3.049813273e-01 4.80 -2.953511696e-01 -2.953511696e-01 4.82 -2.860440834e-01 -2.860440834e-01 4.84 -2.770388767e-01 -2.770388767e-01 4.86 -2.683177271e-01 -2.683177271e-01 4.88 -2.598641251e-01 -2.598641251e-01 4.90 -2.516628151e-01 -2.516628151e-01 4.92 -2.436997250e-01 -2.436997250e-01 4.94 -2.359618912e-01 -2.359618912e-01 4.96 -2.284373916e-01 -2.284373916e-01 4.98 -2.211152887e-01 -2.211152887e-01 5.00 -2.139855892e-01 -2.139855892e-01 5.02 -2.070392199e-01 -2.070392199e-01 5.04 -2.002680215e-01 -2.002680215e-01 5.06 -1.936647560e-01 -1.936647560e-01 5.08 -1.872231261e-01 -1.872231261e-01 5.10 -1.809378007e-01 -1.809378007e-01 5.12 -1.748044388e-01 -1.748044388e-01 5.14 -1.688197057e-01 -1.688197057e-01 5.16 -1.629812711e-01 -1.629812711e-01 5.18 -1.572877805e-01 -1.572877805e-01 5.20 -1.517387958e-01 -1.517387958e-01 5.22 -1.463346966e-01 -1.463346966e-01 5.24 -1.410765413e-01 -1.410765413e-01 5.26 -1.359658895e-01 -1.359658895e-01 5.28 -1.310045936e-01 -1.310045936e-01 5.30 -1.261945691e-01 -1.261945691e-01 5.32 -1.215375588e-01 -1.215375588e-01 5.34 -1.170349044e-01 -1.170349044e-01 5.36 -1.126873458e-01 -1.126873458e-01 5.38 -1.084948577e-01 -1.084948577e-01 5.40 -1.044565347e-01 -1.044565347e-01 5.42 -1.005705286e-01 -1.005705286e-01 5.44 -9.683403734e-02 -9.683403734e-02 5.46 -9.324334083e-02 -9.324334083e-02 5.48 -8.979387473e-02 -8.979387473e-02 5.50 -8.648033256e-02 -8.648033256e-02 5.52 -8.329672820e-02 -8.329672820e-02 5.54 -8.023637465e-02 -8.023637465e-02 5.56 -7.729256791e-02 -7.729256791e-02 5.58 -7.445838727e-02 -7.445838727e-02 5.60 -7.172676135e-02 -7.172676135e-02 5.62 -6.909058058e-02 -6.909058058e-02 5.64 -6.654279634e-02 -6.654279634e-02 5.66 -6.407650677e-02 -6.407650677e-02 5.68 -6.168503025e-02 -6.168503025e-02 5.70 -5.936196766e-02 -5.936196766e-02 5.72 -5.710125537e-02 -5.710125537e-02 5.74 -5.489721064e-02 -5.489721064e-02 5.76 -5.274457126e-02 -5.274457126e-02 5.78 -5.063853132e-02 -5.063853132e-02 5.80 -4.857477430e-02 -4.857477430e-02 5.82 -4.654950469e-02 -4.654950469e-02 5.84 -4.455947826e-02 -4.455947826e-02 5.86 -4.260203104e-02 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