# 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 = Au2CuMo # 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 2.819427271e+02 2.819427271e+02 1.30 2.611190982e+02 2.611190982e+02 1.32 2.418369207e+02 2.418369207e+02 1.34 2.239719686e+02 2.239719686e+02 1.36 2.074116587e+02 2.074116587e+02 1.38 1.920542625e+02 1.920542625e+02 1.40 1.778078587e+02 1.778078587e+02 1.42 1.645883940e+02 1.645883940e+02 1.44 1.523178774e+02 1.523178774e+02 1.46 1.409235104e+02 1.409235104e+02 1.48 1.303376159e+02 1.303376159e+02 1.50 1.204978738e+02 1.204978738e+02 1.52 1.113473689e+02 1.113473689e+02 1.54 1.028341834e+02 1.028341834e+02 1.56 9.491070208e+01 9.491070208e+01 1.58 8.753297635e+01 8.753297635e+01 1.60 8.066031481e+01 8.066031481e+01 1.62 7.425500812e+01 7.425500812e+01 1.64 6.828202721e+01 6.828202721e+01 1.66 6.270871263e+01 6.270871263e+01 1.68 5.750464656e+01 5.750464656e+01 1.70 5.264183672e+01 5.264183672e+01 1.72 4.809512242e+01 4.809512242e+01 1.74 4.384559795e+01 4.384559795e+01 1.76 3.990023838e+01 3.990023838e+01 1.78 3.624663201e+01 3.624663201e+01 1.80 3.286769590e+01 3.286769590e+01 1.82 2.974724091e+01 2.974724091e+01 1.84 2.686928833e+01 2.686928833e+01 1.86 2.421786942e+01 2.421786942e+01 1.88 2.177716141e+01 2.177716141e+01 1.90 1.953175767e+01 1.953175767e+01 1.92 1.746691202e+01 1.746691202e+01 1.94 1.556867897e+01 1.556867897e+01 1.96 1.382395182e+01 1.382395182e+01 1.98 1.222045224e+01 1.222045224e+01 2.00 1.074672710e+01 1.074672710e+01 2.02 9.392167209e+00 9.392167209e+00 2.04 8.147018895e+00 8.147018895e+00 2.06 7.002355068e+00 7.002355068e+00 2.08 5.950004293e+00 5.950004293e+00 2.10 4.982466673e+00 4.982466673e+00 2.12 4.092847798e+00 4.092847798e+00 2.14 3.274822061e+00 3.274822061e+00 2.16 2.522615969e+00 2.522615969e+00 2.18 1.830994295e+00 1.830994295e+00 2.20 1.195237186e+00 1.195237186e+00 2.22 6.111060382e-01 6.111060382e-01 2.24 7.480195471e-02 7.480195471e-02 2.26 -4.170796441e-01 -4.170796441e-01 2.28 -8.675977879e-01 -8.675977879e-01 2.30 -1.279518717e+00 -1.279518717e+00 2.32 -1.655370618e+00 -1.655370618e+00 2.34 -1.997494480e+00 -1.997494480e+00 2.36 -2.308084092e+00 -2.308084092e+00 2.38 -2.589211144e+00 -2.589211144e+00 2.40 -2.842836710e+00 -2.842836710e+00 2.42 -3.070814518e+00 -3.070814518e+00 2.44 -3.274892299e+00 -3.274892299e+00 2.46 -3.456681944e+00 -3.456681944e+00 2.48 -3.617620831e+00 -3.617620831e+00 2.50 -3.759299344e+00 -3.759299344e+00 2.52 -3.883243873e+00 -3.883243873e+00 2.54 -3.990899239e+00 -3.990899239e+00 2.56 -4.083640525e+00 -4.083640525e+00 2.58 -4.162777878e+00 -4.162777878e+00 2.60 -4.229553012e+00 -4.229553012e+00 2.62 -4.285103301e+00 -4.285103301e+00 2.64 -4.330296492e+00 -4.330296492e+00 2.66 -4.365864714e+00 -4.365864714e+00 2.68 -4.392489571e+00 -4.392489571e+00 2.70 -4.410794742e+00 -4.410794742e+00 2.72 -4.421354224e+00 -4.421354224e+00 2.74 -4.424924511e+00 -4.424924511e+00 2.76 -4.422052197e+00 -4.422052197e+00 2.78 -4.412694153e+00 -4.412694153e+00 2.80 -4.396833156e+00 -4.396833156e+00 2.82 -4.374506007e+00 -4.374506007e+00 2.84 -4.345799710e+00 -4.345799710e+00 2.86 -4.310851106e+00 -4.310851106e+00 2.88 -4.269863803e+00 -4.269863803e+00 2.90 -4.223136383e+00 -4.223136383e+00 2.92 -4.171010900e+00 -4.171010900e+00 2.94 -4.113874088e+00 -4.113874088e+00 2.96 -4.052156676e+00 -4.052156676e+00 2.98 -3.986325786e+00 -3.986325786e+00 3.00 -3.916873687e+00 -3.916873687e+00 3.02 -3.844303484e+00 -3.844303484e+00 3.04 -3.769112672e+00 -3.769112672e+00 3.06 -3.691775844e+00 -3.691775844e+00 3.08 -3.612728124e+00 -3.612728124e+00 3.10 -3.532351158e+00 -3.532351158e+00 3.12 -3.450963377e+00 -3.450963377e+00 3.14 -3.368815772e+00 -3.368815772e+00 3.16 -3.286093576e+00 -3.286093576e+00 3.18 -3.202923301e+00 -3.202923301e+00 3.20 -3.119383861e+00 -3.119383861e+00 3.22 -3.035520159e+00 -3.035520159e+00 3.24 -2.951357638e+00 -2.951357638e+00 3.26 -2.866916568e+00 -2.866916568e+00 3.28 -2.782225226e+00 -2.782225226e+00 3.30 -2.697331392e+00 -2.697331392e+00 3.32 -2.612311683e+00 -2.612311683e+00 3.34 -2.527278325e+00 -2.527278325e+00 3.36 -2.442382935e+00 -2.442382935e+00 3.38 -2.357816979e+00 -2.357816979e+00 3.40 -2.273808687e+00 -2.273808687e+00 3.42 -2.190616519e+00 -2.190616519e+00 3.44 -2.108519566e+00 -2.108519566e+00 3.46 -2.027805670e+00 -2.027805670e+00 3.48 -1.948758319e+00 -1.948758319e+00 3.50 -1.871643569e+00 -1.871643569e+00 3.52 -1.796698220e+00 -1.796698220e+00 3.54 -1.724120315e+00 -1.724120315e+00 3.56 -1.654062683e+00 -1.654062683e+00 3.58 -1.586629850e+00 -1.586629850e+00 3.60 -1.521878245e+00 -1.521878245e+00 3.62 -1.459819269e+00 -1.459819269e+00 3.64 -1.400424619e+00 -1.400424619e+00 3.66 -1.343633111e+00 -1.343633111e+00 3.68 -1.289358276e+00 -1.289358276e+00 3.70 -1.237496098e+00 -1.237496098e+00 3.72 -1.187932331e+00 -1.187932331e+00 3.74 -1.140549002e+00 -1.140549002e+00 3.76 -1.095229793e+00 -1.095229793e+00 3.78 -1.051864075e+00 -1.051864075e+00 3.80 -1.010349515e+00 -1.010349515e+00 3.82 -9.705932177e-01 -9.705932177e-01 3.84 -9.325115308e-01 -9.325115308e-01 3.86 -8.960287438e-01 -8.960287438e-01 3.88 -8.610750380e-01 -8.610750380e-01 3.90 -8.275841083e-01 -8.275841083e-01 3.92 -7.954908834e-01 -7.954908834e-01 3.94 -7.647297007e-01 -7.647297007e-01 3.96 -7.352331475e-01 -7.352331475e-01 3.98 -7.069316496e-01 -7.069316496e-01 4.00 -6.797537274e-01 -6.797537274e-01 4.02 -6.536267644e-01 -6.536267644e-01 4.04 -6.284780937e-01 -6.284780937e-01 4.06 -6.042362212e-01 -6.042362212e-01 4.08 -5.808320489e-01 -5.808320489e-01 4.10 -5.582000127e-01 -5.582000127e-01 4.12 -5.362791075e-01 -5.362791075e-01 4.14 -5.150137652e-01 -5.150137652e-01 4.16 -4.943546313e-01 -4.943546313e-01 4.18 -4.742592145e-01 -4.742592145e-01 4.20 -4.546924140e-01 -4.546924140e-01 4.22 -4.356268958e-01 -4.356268958e-01 4.24 -4.170432788e-01 -4.170432788e-01 4.26 -3.989300810e-01 -3.989300810e-01 4.28 -3.812833805e-01 -3.812833805e-01 4.30 -3.641061652e-01 -3.641061652e-01 4.32 -3.474073658e-01 -3.474073658e-01 4.34 -3.312006068e-01 -3.312006068e-01 4.36 -3.155027313e-01 -3.155027313e-01 4.38 -3.003321865e-01 -3.003321865e-01 4.40 -2.857073599e-01 -2.857073599e-01 4.42 -2.716449616e-01 -2.716449616e-01 4.44 -2.581585379e-01 -2.581585379e-01 4.46 -2.452571929e-01 -2.452571929e-01 4.48 -2.329445820e-01 -2.329445820e-01 4.50 -2.212182288e-01 -2.212182288e-01 4.52 -2.100692014e-01 -2.100692014e-01 4.54 -1.994821570e-01 -1.994821570e-01 4.56 -1.894357416e-01 -1.894357416e-01 4.58 -1.799032972e-01 -1.799032972e-01 4.60 -1.708538071e-01 -1.708538071e-01 4.62 -1.622530011e-01 -1.622530011e-01 4.64 -1.540645296e-01 -1.540645296e-01 4.66 -1.462508468e-01 -1.462508468e-01 4.68 -1.387747057e-01 -1.387747057e-01 4.70 -1.316006141e-01 -1.316006141e-01 4.72 -1.246949352e-01 -1.246949352e-01 4.74 -1.180267061e-01 -1.180267061e-01 4.76 -1.115683155e-01 -1.115683155e-01 4.78 -1.052960447e-01 -1.052960447e-01 4.80 -9.919048445e-02 -9.919048445e-02 4.82 -9.323684163e-02 -9.323684163e-02 4.84 -8.742511576e-02 -8.742511576e-02 4.86 -8.175015496e-02 -8.175015496e-02 4.88 -7.621155668e-02 -7.621155668e-02 4.90 -7.081340021e-02 -7.081340021e-02 4.92 -6.556379425e-02 -6.556379425e-02 4.94 -6.047423524e-02 -6.047423524e-02 4.96 -5.555878838e-02 -5.555878838e-02 4.98 -5.083312339e-02 -5.083312339e-02 5.00 -4.631345728e-02 -4.631345728e-02 5.02 -4.201547206e-02 -4.201547206e-02 5.04 -3.795328875e-02 -3.795328875e-02 5.06 -3.413857073e-02 -3.413857073e-02 5.08 -3.057981807e-02 -3.057981807e-02 5.10 -2.728190546e-02 -2.728190546e-02 5.12 -2.424587102e-02 -2.424587102e-02 5.14 -2.146896350e-02 -2.146896350e-02 5.16 -1.894490927e-02 -1.894490927e-02 5.18 -1.666434390e-02 -1.666434390e-02 5.20 -1.461532868e-02 -1.461532868e-02 5.22 -1.278365186e-02 -1.278365186e-02 5.24 -1.115427769e-02 -1.115427769e-02 5.26 -9.711468549e-03 -9.711468549e-03 5.28 -8.439124371e-03 -8.439124371e-03 5.30 -7.321248648e-03 -7.321248648e-03 5.32 -6.342316173e-03 -6.342316173e-03 5.34 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