# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Arora-G-Bonny-G-Castin-N-Aidhy-D-S--Fe-Ni-Cr-Pd # implementation = 2021--Arora-G--Fe-Ni-Cr-Pd--LAMMPS--ipr1 # composition = Cr2FePd # 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 2024-11-27 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 1.075989691e+04 1.075989691e+04 1.00 9.822567357e+03 9.822567357e+03 1.02 8.969394339e+03 8.969394339e+03 1.04 8.194589460e+03 8.194589460e+03 1.06 7.491472408e+03 7.491472408e+03 1.08 6.851875721e+03 6.851875721e+03 1.10 6.266021247e+03 6.266021247e+03 1.12 5.724538181e+03 5.724538181e+03 1.14 5.222236179e+03 5.222236179e+03 1.16 4.755343004e+03 4.755343004e+03 1.18 4.320562676e+03 4.320562676e+03 1.20 3.914756511e+03 3.914756511e+03 1.22 3.535175670e+03 3.535175670e+03 1.24 3.179556908e+03 3.179556908e+03 1.26 2.846005350e+03 2.846005350e+03 1.28 2.532758008e+03 2.532758008e+03 1.30 2.238104268e+03 2.238104268e+03 1.32 1.960396506e+03 1.960396506e+03 1.34 1.698094778e+03 1.698094778e+03 1.36 1.454341251e+03 1.454341251e+03 1.38 1.245431385e+03 1.245431385e+03 1.40 1.067484257e+03 1.067484257e+03 1.42 9.154814293e+02 9.154814293e+02 1.44 7.853801428e+02 7.853801428e+02 1.46 6.738269857e+02 6.738269857e+02 1.48 5.780340021e+02 5.780340021e+02 1.50 4.957038581e+02 4.957038581e+02 1.52 4.249031203e+02 4.249031203e+02 1.54 3.639737808e+02 3.639737808e+02 1.56 3.115222121e+02 3.115222121e+02 1.58 2.663898152e+02 2.663898152e+02 1.60 2.275895952e+02 2.275895952e+02 1.62 1.942641397e+02 1.942641397e+02 1.64 1.656600920e+02 1.656600920e+02 1.66 1.411281862e+02 1.411281862e+02 1.68 1.201118849e+02 1.201118849e+02 1.70 1.021352270e+02 1.021352270e+02 1.72 8.678411168e+01 8.678411168e+01 1.74 7.369595507e+01 7.369595507e+01 1.76 6.255456290e+01 6.255456290e+01 1.78 5.308462235e+01 5.308462235e+01 1.80 4.504744019e+01 4.504744019e+01 1.82 3.823783435e+01 3.823783435e+01 1.84 3.248251923e+01 3.248251923e+01 1.86 2.763698155e+01 2.763698155e+01 1.88 2.357923846e+01 2.357923846e+01 1.90 2.020720290e+01 2.020720290e+01 1.92 1.742998436e+01 1.742998436e+01 1.94 1.511293073e+01 1.511293073e+01 1.96 1.310202707e+01 1.310202707e+01 1.98 1.130999509e+01 1.130999509e+01 2.00 9.705211760e+00 9.705211760e+00 2.02 8.263263667e+00 8.263263667e+00 2.04 6.964129272e+00 6.964129272e+00 2.06 5.790813951e+00 5.790813951e+00 2.08 4.729130495e+00 4.729130495e+00 2.10 3.767273719e+00 3.767273719e+00 2.12 2.895173036e+00 2.895173036e+00 2.14 2.104866042e+00 2.104866042e+00 2.16 1.389378257e+00 1.389378257e+00 2.18 7.420504676e-01 7.420504676e-01 2.20 1.570274027e-01 1.570274027e-01 2.22 -3.706015650e-01 -3.706015650e-01 2.24 -8.448889573e-01 -8.448889573e-01 2.26 -1.269344998e+00 -1.269344998e+00 2.28 -1.646173946e+00 -1.646173946e+00 2.30 -1.976100468e+00 -1.976100468e+00 2.32 -2.260306340e+00 -2.260306340e+00 2.34 -2.502919209e+00 -2.502919209e+00 2.36 -2.708355216e+00 -2.708355216e+00 2.38 -2.880273088e+00 -2.880273088e+00 2.40 -3.021230718e+00 -3.021230718e+00 2.42 -3.132930203e+00 -3.132930203e+00 2.44 -3.217064659e+00 -3.217064659e+00 2.46 -3.276424684e+00 -3.276424684e+00 2.48 -3.314857635e+00 -3.314857635e+00 2.50 -3.336685807e+00 -3.336685807e+00 2.52 -3.345706380e+00 -3.345706380e+00 2.54 -3.343853033e+00 -3.343853033e+00 2.56 -3.332660270e+00 -3.332660270e+00 2.58 -3.313713297e+00 -3.313713297e+00 2.60 -3.288635084e+00 -3.288635084e+00 2.62 -3.258984036e+00 -3.258984036e+00 2.64 -3.225702050e+00 -3.225702050e+00 2.66 -3.189149649e+00 -3.189149649e+00 2.68 -3.149615830e+00 -3.149615830e+00 2.70 -3.107380031e+00 -3.107380031e+00 2.72 -3.062726825e+00 -3.062726825e+00 2.74 -3.015992928e+00 -3.015992928e+00 2.76 -2.967519527e+00 -2.967519527e+00 2.78 -2.917659737e+00 -2.917659737e+00 2.80 -2.866803954e+00 -2.866803954e+00 2.82 -2.815340100e+00 -2.815340100e+00 2.84 -2.763648752e+00 -2.763648752e+00 2.86 -2.712103983e+00 -2.712103983e+00 2.88 -2.661029431e+00 -2.661029431e+00 2.90 -2.610592120e+00 -2.610592120e+00 2.92 -2.560898100e+00 -2.560898100e+00 2.94 -2.512044215e+00 -2.512044215e+00 2.96 -2.464117690e+00 -2.464117690e+00 2.98 -2.417201911e+00 -2.417201911e+00 3.00 -2.371379167e+00 -2.371379167e+00 3.02 -2.326719738e+00 -2.326719738e+00 3.04 -2.283198316e+00 -2.283198316e+00 3.06 -2.240761963e+00 -2.240761963e+00 3.08 -2.199348113e+00 -2.199348113e+00 3.10 -2.158852285e+00 -2.158852285e+00 3.12 -2.119155692e+00 -2.119155692e+00 3.14 -2.080145058e+00 -2.080145058e+00 3.16 -2.041748055e+00 -2.041748055e+00 3.18 -2.003908796e+00 -2.003908796e+00 3.20 -1.966571648e+00 -1.966571648e+00 3.22 -1.929681267e+00 -1.929681267e+00 3.24 -1.893182646e+00 -1.893182646e+00 3.26 -1.857021176e+00 -1.857021176e+00 3.28 -1.821142681e+00 -1.821142681e+00 3.30 -1.785492506e+00 -1.785492506e+00 3.32 -1.749989277e+00 -1.749989277e+00 3.34 -1.714523943e+00 -1.714523943e+00 3.36 -1.678995636e+00 -1.678995636e+00 3.38 -1.643330814e+00 -1.643330814e+00 3.40 -1.607532988e+00 -1.607532988e+00 3.42 -1.571627568e+00 -1.571627568e+00 3.44 -1.535640797e+00 -1.535640797e+00 3.46 -1.499599445e+00 -1.499599445e+00 3.48 -1.463530787e+00 -1.463530787e+00 3.50 -1.427462592e+00 -1.427462592e+00 3.52 -1.391423087e+00 -1.391423087e+00 3.54 -1.355440929e+00 -1.355440929e+00 3.56 -1.319545354e+00 -1.319545354e+00 3.58 -1.283771039e+00 -1.283771039e+00 3.60 -1.248158781e+00 -1.248158781e+00 3.62 -1.212750310e+00 -1.212750310e+00 3.64 -1.177589314e+00 -1.177589314e+00 3.66 -1.142731887e+00 -1.142731887e+00 3.68 -1.108244189e+00 -1.108244189e+00 3.70 -1.074229396e+00 -1.074229396e+00 3.72 -1.040811100e+00 -1.040811100e+00 3.74 -1.008108892e+00 -1.008108892e+00 3.76 -9.761769678e-01 -9.761769678e-01 3.78 -9.450151711e-01 -9.450151711e-01 3.80 -9.146215959e-01 -9.146215959e-01 3.82 -8.849940971e-01 -8.849940971e-01 3.84 -8.561301393e-01 -8.561301393e-01 3.86 -8.280266389e-01 -8.280266389e-01 3.88 -8.006797686e-01 -8.006797686e-01 3.90 -7.740847411e-01 -7.740847411e-01 3.92 -7.482356038e-01 -7.482356038e-01 3.94 -7.231249696e-01 -7.231249696e-01 3.96 -6.987436933e-01 -6.987436933e-01 3.98 -6.750806104e-01 -6.750806104e-01 4.00 -6.521221544e-01 -6.521221544e-01 4.02 -6.298519520e-01 -6.298519520e-01 4.04 -6.082503737e-01 -6.082503737e-01 4.06 -5.872894053e-01 -5.872894053e-01 4.08 -5.669135699e-01 -5.669135699e-01 4.10 -5.470552105e-01 -5.470552105e-01 4.12 -5.276537796e-01 -5.276537796e-01 4.14 -5.086958281e-01 -5.086958281e-01 4.16 -4.901797328e-01 -4.901797328e-01 4.18 -4.721021926e-01 -4.721021926e-01 4.20 -4.544587104e-01 -4.544587104e-01 4.22 -4.372446609e-01 -4.372446609e-01 4.24 -4.204505954e-01 -4.204505954e-01 4.26 -4.040695356e-01 -4.040695356e-01 4.28 -3.880829670e-01 -3.880829670e-01 4.30 -3.724771036e-01 -3.724771036e-01 4.32 -3.572195625e-01 -3.572195625e-01 4.34 -3.422956682e-01 -3.422956682e-01 4.36 -3.276638714e-01 -3.276638714e-01 4.38 -3.133040996e-01 -3.133040996e-01 4.40 -2.992279978e-01 -2.992279978e-01 4.42 -2.851018824e-01 -2.851018824e-01 4.44 -2.711047794e-01 -2.711047794e-01 4.46 -2.577030252e-01 -2.577030252e-01 4.48 -2.452487143e-01 -2.452487143e-01 4.50 -2.340182713e-01 -2.340182713e-01 4.52 -2.228539744e-01 -2.228539744e-01 4.54 -2.107576834e-01 -2.107576834e-01 4.56 -1.970915646e-01 -1.970915646e-01 4.58 -1.819738221e-01 -1.819738221e-01 4.60 -1.656833771e-01 -1.656833771e-01 4.62 -1.491375111e-01 -1.491375111e-01 4.64 -1.329460825e-01 -1.329460825e-01 4.66 -1.170428399e-01 -1.170428399e-01 4.68 -1.014381982e-01 -1.014381982e-01 4.70 -8.620496193e-02 -8.620496193e-02 4.72 -7.142844795e-02 -7.142844795e-02 4.74 -5.742421640e-02 -5.742421640e-02 4.76 -4.466950427e-02 -4.466950427e-02 4.78 -3.342193510e-02 -3.342193510e-02 4.80 -2.377634059e-02 -2.377634059e-02 4.82 -1.571796226e-02 -1.571796226e-02 4.84 -9.161680981e-03 -9.161680981e-03 4.86 -3.980188539e-03 -3.980188539e-03 4.88 -2.345451464e-05 -2.345451464e-05 4.90 2.866484609e-03 2.866484609e-03 4.92 4.845772332e-03 4.845772332e-03 4.94 6.067860183e-03 6.067860183e-03 4.96 6.682030736e-03 6.682030736e-03 4.98 6.832992770e-03 6.832992770e-03 5.00 6.661326603e-03 6.661326603e-03 5.02 6.290350970e-03 6.290350970e-03 5.04 5.785157712e-03 5.785157712e-03 5.06 5.195183767e-03 5.195183767e-03 5.08 4.568836756e-03 4.568836756e-03 5.10 3.954034451e-03 3.954034451e-03 5.12 3.390090205e-03 3.390090205e-03 5.14 2.882491045e-03 2.882491045e-03 5.16 2.428271348e-03 2.428271348e-03 5.18 2.024465590e-03 2.024465590e-03 5.20 1.668108244e-03 1.668108244e-03 5.22 1.356233784e-03 1.356233784e-03 5.24 1.085876685e-03 1.085876685e-03 5.26 8.540714207e-04 8.540714207e-04 5.28 6.578524658e-04 6.578524658e-04 5.30 4.942542944e-04 4.942542944e-04 5.32 3.603113806e-04 3.603113806e-04 5.34 2.530581987e-04 2.530581987e-04 5.36 1.695292230e-04 1.695292230e-04 5.38 1.067589276e-04 1.067589276e-04 5.40 6.178178680e-05 6.178178680e-05 5.42 3.163227484e-05 3.163227484e-05 5.44 1.334486595e-05 1.334486595e-05 5.46 3.954034356e-06 3.954034356e-06 5.48 4.942542948e-07 4.942542948e-07 5.50 4.691142902e-11 4.686004457e-11 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 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