# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Al # implementation = 2020--Farkas-D--Fe-Ni-Cr-Co-Al--LAMMPS--ipr1 # composition = Al2CrFe # 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 -3.864885777e+02 -3.864885777e+02 1.04 -3.651905445e+02 -3.651905445e+02 1.06 -3.456129252e+02 -3.456129252e+02 1.08 -3.273854030e+02 -3.273854030e+02 1.10 -3.101830865e+02 -3.101830865e+02 1.12 -2.938207328e+02 -2.938207328e+02 1.14 -2.782745898e+02 -2.782745898e+02 1.16 -2.634789637e+02 -2.634789637e+02 1.18 -2.493489917e+02 -2.493489917e+02 1.20 -2.359038443e+02 -2.359038443e+02 1.22 -2.231579708e+02 -2.231579708e+02 1.24 -2.111166741e+02 -2.111166741e+02 1.26 -1.999804813e+02 -1.999804813e+02 1.28 -1.899067883e+02 -1.899067883e+02 1.30 -1.807856967e+02 -1.807856967e+02 1.32 -1.723244920e+02 -1.723244920e+02 1.34 -1.642452289e+02 -1.642452289e+02 1.36 -1.564148478e+02 -1.564148478e+02 1.38 -1.487734303e+02 -1.487734303e+02 1.40 -1.412628851e+02 -1.412628851e+02 1.42 -1.338256971e+02 -1.338256971e+02 1.44 -1.264161692e+02 -1.264161692e+02 1.46 -1.189619184e+02 -1.189619184e+02 1.48 -1.114410913e+02 -1.114410913e+02 1.50 -1.039730174e+02 -1.039730174e+02 1.52 -9.670004794e+01 -9.670004794e+01 1.54 -8.971626827e+01 -8.971626827e+01 1.56 -8.307982093e+01 -8.307982093e+01 1.58 -7.684518792e+01 -7.684518792e+01 1.60 -7.103717137e+01 -7.103717137e+01 1.62 -6.561582291e+01 -6.561582291e+01 1.64 -6.056576553e+01 -6.056576553e+01 1.66 -5.590149141e+01 -5.590149141e+01 1.68 -5.163274488e+01 -5.163274488e+01 1.70 -4.775737163e+01 -4.775737163e+01 1.72 -4.424361771e+01 -4.424361771e+01 1.74 -4.103359114e+01 -4.103359114e+01 1.76 -3.807533411e+01 -3.807533411e+01 1.78 -3.531241614e+01 -3.531241614e+01 1.80 -3.268259124e+01 -3.268259124e+01 1.82 -3.012658289e+01 -3.012658289e+01 1.84 -2.760190137e+01 -2.760190137e+01 1.86 -2.510622863e+01 -2.510622863e+01 1.88 -2.266771749e+01 -2.266771749e+01 1.90 -2.031974062e+01 -2.031974062e+01 1.92 -1.809105237e+01 -1.809105237e+01 1.94 -1.599662135e+01 -1.599662135e+01 1.96 -1.402966036e+01 -1.402966036e+01 1.98 -1.216048518e+01 -1.216048518e+01 2.00 -1.035400439e+01 -1.035400439e+01 2.02 -8.592117223e+00 -8.592117223e+00 2.04 -7.026313742e+00 -7.026313742e+00 2.06 -5.827374287e+00 -5.827374287e+00 2.08 -4.947783045e+00 -4.947783045e+00 2.10 -4.325249007e+00 -4.325249007e+00 2.12 -3.899070203e+00 -3.899070203e+00 2.14 -3.618608933e+00 -3.618608933e+00 2.16 -3.445580486e+00 -3.445580486e+00 2.18 -3.352378514e+00 -3.352378514e+00 2.20 -3.317655574e+00 -3.317655574e+00 2.22 -3.323703088e+00 -3.323703088e+00 2.24 -3.356804300e+00 -3.356804300e+00 2.26 -3.405079001e+00 -3.405079001e+00 2.28 -3.459209767e+00 -3.459209767e+00 2.30 -3.512774586e+00 -3.512774586e+00 2.32 -3.563806083e+00 -3.563806083e+00 2.34 -3.612432988e+00 -3.612432988e+00 2.36 -3.658207530e+00 -3.658207530e+00 2.38 -3.700322524e+00 -3.700322524e+00 2.40 -3.737749146e+00 -3.737749146e+00 2.42 -3.769992681e+00 -3.769992681e+00 2.44 -3.797491752e+00 -3.797491752e+00 2.46 -3.821002669e+00 -3.821002669e+00 2.48 -3.841443961e+00 -3.841443961e+00 2.50 -3.859838050e+00 -3.859838050e+00 2.52 -3.876544248e+00 -3.876544248e+00 2.54 -3.890945003e+00 -3.890945003e+00 2.56 -3.902411369e+00 -3.902411369e+00 2.58 -3.910376663e+00 -3.910376663e+00 2.60 -3.914376258e+00 -3.914376258e+00 2.62 -3.913984299e+00 -3.913984299e+00 2.64 -3.908987592e+00 -3.908987592e+00 2.66 -3.899637934e+00 -3.899637934e+00 2.68 -3.886255735e+00 -3.886255735e+00 2.70 -3.869095835e+00 -3.869095835e+00 2.72 -3.848361048e+00 -3.848361048e+00 2.74 -3.824170643e+00 -3.824170643e+00 2.76 -3.796389911e+00 -3.796389911e+00 2.78 -3.764829803e+00 -3.764829803e+00 2.80 -3.729172677e+00 -3.729172677e+00 2.82 -3.688971037e+00 -3.688971037e+00 2.84 -3.643747132e+00 -3.643747132e+00 2.86 -3.593274336e+00 -3.593274336e+00 2.88 -3.537720175e+00 -3.537720175e+00 2.90 -3.477715275e+00 -3.477715275e+00 2.92 -3.414186030e+00 -3.414186030e+00 2.94 -3.348226972e+00 -3.348226972e+00 2.96 -3.280914585e+00 -3.280914585e+00 2.98 -3.213181143e+00 -3.213181143e+00 3.00 -3.145792923e+00 -3.145792923e+00 3.02 -3.079363594e+00 -3.079363594e+00 3.04 -3.014375281e+00 -3.014375281e+00 3.06 -2.951241770e+00 -2.951241770e+00 3.08 -2.890329691e+00 -2.890329691e+00 3.10 -2.831879148e+00 -2.831879148e+00 3.12 -2.776121004e+00 -2.776121004e+00 3.14 -2.723294301e+00 -2.723294301e+00 3.16 -2.673627524e+00 -2.673627524e+00 3.18 -2.627308381e+00 -2.627308381e+00 3.20 -2.584528349e+00 -2.584528349e+00 3.22 -2.545330125e+00 -2.545330125e+00 3.24 -2.509512875e+00 -2.509512875e+00 3.26 -2.475468411e+00 -2.475468411e+00 3.28 -2.440344303e+00 -2.440344303e+00 3.30 -2.401677230e+00 -2.401677230e+00 3.32 -2.357551517e+00 -2.357551517e+00 3.34 -2.306834311e+00 -2.306834311e+00 3.36 -2.249113776e+00 -2.249113776e+00 3.38 -2.184447052e+00 -2.184447052e+00 3.40 -2.113039140e+00 -2.113039140e+00 3.42 -2.034969066e+00 -2.034969066e+00 3.44 -1.950049338e+00 -1.950049338e+00 3.46 -1.857796509e+00 -1.857796509e+00 3.48 -1.757475053e+00 -1.757475053e+00 3.50 -1.648171155e+00 -1.648171155e+00 3.52 -1.528921100e+00 -1.528921100e+00 3.54 -1.399008014e+00 -1.399008014e+00 3.56 -1.258340320e+00 -1.258340320e+00 3.58 -1.108416073e+00 -1.108416073e+00 3.60 -9.511232346e-01 -9.511232346e-01 3.62 -7.884426901e-01 -7.884426901e-01 3.64 -6.224258162e-01 -6.224258162e-01 3.66 -4.551662412e-01 -4.551662412e-01 3.68 -2.887778391e-01 -2.887778391e-01 3.70 -1.253653056e-01 -1.253653056e-01 3.72 3.305958968e-02 3.305958968e-02 3.74 1.846136436e-01 1.846136436e-01 3.76 3.275167358e-01 3.275167358e-01 3.78 4.601098979e-01 4.601098979e-01 3.80 5.808748249e-01 5.808748249e-01 3.82 6.884522922e-01 6.884522922e-01 3.84 7.816583616e-01 7.816583616e-01 3.86 8.591588925e-01 8.591588925e-01 3.88 9.173280905e-01 9.173280905e-01 3.90 9.532553062e-01 9.532553062e-01 3.92 9.660833670e-01 9.660833670e-01 3.94 9.563823083e-01 9.563823083e-01 3.96 9.256367543e-01 9.256367543e-01 3.98 8.758659851e-01 8.758659851e-01 4.00 8.093451764e-01 8.093451764e-01 4.02 7.284067487e-01 7.284067487e-01 4.04 6.353096968e-01 6.353096968e-01 4.06 5.321620730e-01 5.321620730e-01 4.08 4.208760531e-01 4.208760531e-01 4.10 3.031545349e-01 3.031545349e-01 4.12 1.805259389e-01 1.805259389e-01 4.14 5.437225119e-02 5.437225119e-02 4.16 -7.403169684e-02 -7.403169684e-02 4.18 -2.034332049e-01 -2.034332049e-01 4.20 -2.908378554e-01 -2.908378554e-01 4.22 -2.086952408e-01 -2.086952408e-01 4.24 1.331250597e-01 1.331250597e-01 4.26 7.736027565e-01 7.736027565e-01 4.28 1.709124844e+00 1.709124844e+00 4.30 2.907460332e+00 2.907460332e+00 4.32 4.318027846e+00 4.318027846e+00 4.34 5.879272958e+00 5.879272958e+00 4.36 7.524925409e+00 7.524925409e+00 4.38 9.188835951e+00 9.188835951e+00 4.40 1.080869315e+01 1.080869315e+01 4.42 1.232909751e+01 1.232909751e+01 4.44 1.370338376e+01 1.370338376e+01 4.46 1.489459677e+01 1.489459677e+01 4.48 1.587609433e+01 1.587609433e+01 4.50 1.663170476e+01 1.663170476e+01 4.52 1.715517169e+01 1.715517169e+01 4.54 1.744774226e+01 1.744774226e+01 4.56 1.751796737e+01 1.751796737e+01 4.58 1.738160048e+01 1.738160048e+01 4.60 1.706013449e+01 1.706013449e+01 4.62 1.657912713e+01 1.657912713e+01 4.64 1.596627584e+01 1.596627584e+01 4.66 1.524972166e+01 1.524972166e+01 4.68 1.445636757e+01 1.445636757e+01 4.70 1.361055451e+01 1.361055451e+01 4.72 1.273315016e+01 1.273315016e+01 4.74 1.184120258e+01 1.184120258e+01 4.76 1.094812050e+01 1.094812050e+01 4.78 1.006412950e+01 1.006412950e+01 4.80 9.197040043e+00 9.197040043e+00 4.82 8.353015554e+00 8.353015554e+00 4.84 7.537193506e+00 7.537193506e+00 4.86 6.754170597e+00 6.754170597e+00 4.88 6.008197992e+00 6.008197992e+00 4.90 5.303250640e+00 5.303250640e+00 4.92 4.642905842e+00 4.642905842e+00 4.94 4.030201742e+00 4.030201742e+00 4.96 3.467439200e+00 3.467439200e+00 4.98 2.956044206e+00 2.956044206e+00 5.00 2.496474036e+00 2.496474036e+00 5.02 2.087651841e+00 2.087651841e+00 5.04 1.725840727e+00 1.725840727e+00 5.06 1.407097251e+00 1.407097251e+00 5.08 1.127851232e+00 1.127851232e+00 5.10 8.848364957e-01 8.848364957e-01 5.12 6.750601427e-01 6.750601427e-01 5.14 4.957633467e-01 4.957633467e-01 5.16 3.443844148e-01 3.443844148e-01 5.18 2.185230506e-01 2.185230506e-01 5.20 1.158980445e-01 1.158980445e-01 5.22 3.431037025e-02 3.431037025e-02 5.24 -2.839429507e-02 -2.839429507e-02 5.26 -7.435246689e-02 -7.435246689e-02 5.28 -1.057009014e-01 -1.057009014e-01 5.30 -1.245793847e-01 -1.245793847e-01 5.32 -1.331194133e-01 -1.331194133e-01 5.34 -1.334130923e-01 -1.334130923e-01 5.36 -1.274673222e-01 -1.274673222e-01 5.38 -1.171473642e-01 -1.171473642e-01 5.40 -1.041189647e-01 -1.041189647e-01 5.42 -8.979909324e-02 -8.979909324e-02 5.44 -7.532306326e-02 -7.532306326e-02 5.46 -6.153612295e-02 -6.153612295e-02 5.48 -4.900610782e-02 -4.900610782e-02 5.50 -3.805683400e-02 -3.805683400e-02 5.52 -2.881711248e-02 -2.881711248e-02 5.54 -2.126447405e-02 -2.126447405e-02 5.56 -1.527396519e-02 -1.527396519e-02 5.58 -1.065977457e-02 -1.065977457e-02 5.60 -7.209614843e-03 -7.209614843e-03 5.62 -4.708532098e-03 -4.708532098e-03 5.64 -2.954277442e-03 -2.954277442e-03 5.66 -1.767920973e-03 -1.767920973e-03 5.68 -9.982546928e-04 -9.982546928e-04 5.70 -5.227426160e-04 -5.227426160e-04 5.72 -2.463731418e-04 -2.463731418e-04 5.74 -9.881962617e-05 -9.881962617e-05 5.76 -2.958049972e-05 -2.958049972e-05 5.78 -4.525397739e-06 -4.525397739e-06 5.80 -1.102586714e-08 -1.102586714e-08 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