# 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 = CrFePd2 # 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 7.037664641e+03 7.037664641e+03 1.00 6.480407072e+03 6.480407072e+03 1.02 5.974044537e+03 5.974044537e+03 1.04 5.512735015e+03 5.512735015e+03 1.06 5.090106904e+03 5.090106904e+03 1.08 4.700750128e+03 4.700750128e+03 1.10 4.340998930e+03 4.340998930e+03 1.12 4.007668862e+03 4.007668862e+03 1.14 3.697845283e+03 3.697845283e+03 1.16 3.408893574e+03 3.408893574e+03 1.18 3.138469182e+03 3.138469182e+03 1.20 2.884474968e+03 2.884474968e+03 1.22 2.645244135e+03 2.645244135e+03 1.24 2.419347405e+03 2.419347405e+03 1.26 2.205574787e+03 2.205574787e+03 1.28 2.002910109e+03 2.002910109e+03 1.30 1.810476729e+03 1.810476729e+03 1.32 1.627452766e+03 1.627452766e+03 1.34 1.453068251e+03 1.453068251e+03 1.36 1.286671638e+03 1.286671638e+03 1.38 1.127528762e+03 1.127528762e+03 1.40 9.751960371e+02 9.751960371e+02 1.42 8.304409460e+02 8.304409460e+02 1.44 7.042687317e+02 7.042687317e+02 1.46 5.972451169e+02 5.972451169e+02 1.48 5.065947140e+02 5.065947140e+02 1.50 4.299270581e+02 4.299270581e+02 1.52 3.651205258e+02 3.651205258e+02 1.54 3.103134506e+02 3.103134506e+02 1.56 2.639426981e+02 2.639426981e+02 1.58 2.247282685e+02 2.247282685e+02 1.60 1.915871895e+02 1.915871895e+02 1.62 1.635907391e+02 1.635907391e+02 1.64 1.399215721e+02 1.399215721e+02 1.66 1.198738350e+02 1.198738350e+02 1.68 1.028536620e+02 1.028536620e+02 1.70 8.837166802e+01 8.837166802e+01 1.72 7.601635344e+01 7.601635344e+01 1.74 6.544015703e+01 6.544015703e+01 1.76 5.635098593e+01 5.635098593e+01 1.78 4.850359428e+01 4.850359428e+01 1.80 4.169378598e+01 4.169378598e+01 1.82 3.575121594e+01 3.575121594e+01 1.84 3.053830264e+01 3.053830264e+01 1.86 2.595452829e+01 2.595452829e+01 1.88 2.191659283e+01 2.191659283e+01 1.90 1.835376095e+01 1.835376095e+01 1.92 1.520812140e+01 1.520812140e+01 1.94 1.244135452e+01 1.244135452e+01 1.96 1.002319280e+01 1.002319280e+01 1.98 7.927507052e+00 7.927507052e+00 2.00 6.131089978e+00 6.131089978e+00 2.02 4.611312260e+00 4.611312260e+00 2.04 3.344580496e+00 3.344580496e+00 2.06 2.308202654e+00 2.308202654e+00 2.08 1.480835860e+00 1.480835860e+00 2.10 8.378412173e-01 8.378412173e-01 2.12 3.415254154e-01 3.415254154e-01 2.14 -4.622506539e-02 -4.622506539e-02 2.16 -3.624500279e-01 -3.624500279e-01 2.18 -6.413128697e-01 -6.413128697e-01 2.20 -8.982732395e-01 -8.982732395e-01 2.22 -1.137554871e+00 -1.137554871e+00 2.24 -1.357942068e+00 -1.357942068e+00 2.26 -1.556626746e+00 -1.556626746e+00 2.28 -1.733879635e+00 -1.733879635e+00 2.30 -1.893456634e+00 -1.893456634e+00 2.32 -2.038855141e+00 -2.038855141e+00 2.34 -2.173324652e+00 -2.173324652e+00 2.36 -2.299361558e+00 -2.299361558e+00 2.38 -2.417590543e+00 -2.417590543e+00 2.40 -2.527296841e+00 -2.527296841e+00 2.42 -2.626931268e+00 -2.626931268e+00 2.44 -2.715152241e+00 -2.715152241e+00 2.46 -2.791932521e+00 -2.791932521e+00 2.48 -2.858041783e+00 -2.858041783e+00 2.50 -2.914713972e+00 -2.914713972e+00 2.52 -2.963099289e+00 -2.963099289e+00 2.54 -3.004271286e+00 -3.004271286e+00 2.56 -3.039354078e+00 -3.039354078e+00 2.58 -3.069507956e+00 -3.069507956e+00 2.60 -3.095898064e+00 -3.095898064e+00 2.62 -3.119409167e+00 -3.119409167e+00 2.64 -3.139685928e+00 -3.139685928e+00 2.66 -3.156023379e+00 -3.156023379e+00 2.68 -3.167699631e+00 -3.167699631e+00 2.70 -3.173993030e+00 -3.173993030e+00 2.72 -3.174182957e+00 -3.174182957e+00 2.74 -3.167596989e+00 -3.167596989e+00 2.76 -3.153564488e+00 -3.153564488e+00 2.78 -3.131474203e+00 -3.131474203e+00 2.80 -3.100823566e+00 -3.100823566e+00 2.82 -3.061387782e+00 -3.061387782e+00 2.84 -3.014040506e+00 -3.014040506e+00 2.86 -2.959921920e+00 -2.959921920e+00 2.88 -2.900139303e+00 -2.900139303e+00 2.90 -2.835705072e+00 -2.835705072e+00 2.92 -2.767586284e+00 -2.767586284e+00 2.94 -2.696800841e+00 -2.696800841e+00 2.96 -2.624402228e+00 -2.624402228e+00 2.98 -2.551437453e+00 -2.551437453e+00 3.00 -2.478946540e+00 -2.478946540e+00 3.02 -2.407824634e+00 -2.407824634e+00 3.04 -2.338406867e+00 -2.338406867e+00 3.06 -2.270862956e+00 -2.270862956e+00 3.08 -2.205316934e+00 -2.205316934e+00 3.10 -2.141804390e+00 -2.141804390e+00 3.12 -2.080330915e+00 -2.080330915e+00 3.14 -2.020902826e+00 -2.020902826e+00 3.16 -1.963544711e+00 -1.963544711e+00 3.18 -1.908287257e+00 -1.908287257e+00 3.20 -1.855159262e+00 -1.855159262e+00 3.22 -1.804187669e+00 -1.804187669e+00 3.24 -1.755393644e+00 -1.755393644e+00 3.26 -1.708722919e+00 -1.708722919e+00 3.28 -1.664054532e+00 -1.664054532e+00 3.30 -1.621263598e+00 -1.621263598e+00 3.32 -1.580223565e+00 -1.580223565e+00 3.34 -1.540806234e+00 -1.540806234e+00 3.36 -1.502881771e+00 -1.502881771e+00 3.38 -1.466320656e+00 -1.466320656e+00 3.40 -1.431020989e+00 -1.431020989e+00 3.42 -1.396901906e+00 -1.396901906e+00 3.44 -1.363881503e+00 -1.363881503e+00 3.46 -1.331876235e+00 -1.331876235e+00 3.48 -1.300801026e+00 -1.300801026e+00 3.50 -1.270570099e+00 -1.270570099e+00 3.52 -1.241096399e+00 -1.241096399e+00 3.54 -1.212291105e+00 -1.212291105e+00 3.56 -1.184064556e+00 -1.184064556e+00 3.58 -1.156352327e+00 -1.156352327e+00 3.60 -1.129118471e+00 -1.129118471e+00 3.62 -1.102327808e+00 -1.102327808e+00 3.64 -1.075945826e+00 -1.075945826e+00 3.66 -1.049949229e+00 -1.049949229e+00 3.68 -1.024320217e+00 -1.024320217e+00 3.70 -9.990404596e-01 -9.990404596e-01 3.72 -9.740910760e-01 -9.740910760e-01 3.74 -9.494526639e-01 -9.494526639e-01 3.76 -9.251053243e-01 -9.251053243e-01 3.78 -9.010286817e-01 -9.010286817e-01 3.80 -8.772019009e-01 -8.772019009e-01 3.82 -8.536036988e-01 -8.536036988e-01 3.84 -8.302124266e-01 -8.302124266e-01 3.86 -8.070104391e-01 -8.070104391e-01 3.88 -7.839865357e-01 -7.839865357e-01 3.90 -7.611296707e-01 -7.611296707e-01 3.92 -7.384346778e-01 -7.384346778e-01 3.94 -7.159124965e-01 -7.159124965e-01 3.96 -6.935762205e-01 -6.935762205e-01 3.98 -6.714383827e-01 -6.714383827e-01 4.00 -6.495109079e-01 -6.495109079e-01 4.02 -6.278050683e-01 -6.278050683e-01 4.04 -6.063314224e-01 -6.063314224e-01 4.06 -5.850997100e-01 -5.850997100e-01 4.08 -5.641188194e-01 -5.641188194e-01 4.10 -5.433967485e-01 -5.433967485e-01 4.12 -5.229427350e-01 -5.229427350e-01 4.14 -5.027749733e-01 -5.027749733e-01 4.16 -4.829136125e-01 -4.829136125e-01 4.18 -4.633783878e-01 -4.633783878e-01 4.20 -4.441886273e-01 -4.441886273e-01 4.22 -4.253631860e-01 -4.253631860e-01 4.24 -4.069198763e-01 -4.069198763e-01 4.26 -3.888766232e-01 -3.888766232e-01 4.28 -3.712450705e-01 -3.712450705e-01 4.30 -3.540337890e-01 -3.540337890e-01 4.32 -3.372503237e-01 -3.372503237e-01 4.34 -3.208964795e-01 -3.208964795e-01 4.36 -3.049709157e-01 -3.049709157e-01 4.38 -2.894668022e-01 -2.894668022e-01 4.40 -2.743517946e-01 -2.743517946e-01 4.42 -2.596015608e-01 -2.596015608e-01 4.44 -2.452506037e-01 -2.452506037e-01 4.46 -2.313178378e-01 -2.313178378e-01 4.48 -2.178368704e-01 -2.178368704e-01 4.50 -2.048086685e-01 -2.048086685e-01 4.52 -1.921663125e-01 -1.921663125e-01 4.54 -1.795560854e-01 -1.795560854e-01 4.56 -1.670693554e-01 -1.670693554e-01 4.58 -1.554812063e-01 -1.554812063e-01 4.60 -1.454474656e-01 -1.454474656e-01 4.62 -1.357901984e-01 -1.357901984e-01 4.64 -1.246751741e-01 -1.246751741e-01 4.66 -1.114029352e-01 -1.114029352e-01 4.68 -9.594635467e-02 -9.594635467e-02 4.70 -7.918215240e-02 -7.918215240e-02 4.72 -6.277553623e-02 -6.277553623e-02 4.74 -4.774824367e-02 -4.774824367e-02 4.76 -3.460723019e-02 -3.460723019e-02 4.78 -2.352460233e-02 -2.352460233e-02 4.80 -1.447163897e-02 -1.447163897e-02 4.82 -7.304545669e-03 -7.304545669e-03 4.84 -1.821426182e-03 -1.821426182e-03 4.86 2.200664323e-03 2.200664323e-03 4.88 4.984691051e-03 4.984691051e-03 4.90 6.741613149e-03 6.741613149e-03 4.92 7.665477448e-03 7.665477448e-03 4.94 7.937896209e-03 7.937896209e-03 4.96 7.731395174e-03 7.731395174e-03 4.98 7.212731010e-03 7.212731010e-03 5.00 6.545723231e-03 6.545723231e-03 5.02 5.867354974e-03 5.867354974e-03 5.04 5.211282601e-03 5.211282601e-03 5.06 4.585273108e-03 4.585273108e-03 5.08 3.997019318e-03 3.997019318e-03 5.10 3.454034372e-03 3.454034372e-03 5.12 2.961402705e-03 2.961402705e-03 5.14 2.517991045e-03 2.517991045e-03 5.16 2.121208848e-03 2.121208848e-03 5.18 1.768465590e-03 1.768465590e-03 5.20 1.457170744e-03 1.457170744e-03 5.22 1.184733784e-03 1.184733784e-03 5.24 9.485641848e-04 9.485641848e-04 5.26 7.460714207e-04 7.460714207e-04 5.28 5.746649658e-04 5.746649658e-04 5.30 4.317542944e-04 4.317542944e-04 5.32 3.147488806e-04 3.147488806e-04 5.34 2.210581987e-04 2.210581987e-04 5.36 1.480917230e-04 1.480917230e-04 5.38 9.325892759e-05 9.325892759e-05 5.40 5.396928680e-05 5.396928680e-05 5.42 2.763227484e-05 2.763227484e-05 5.44 1.165736595e-05 1.165736595e-05 5.46 3.454034356e-06 3.454034356e-06 5.48 4.317542947e-07 4.317542947e-07 5.50 4.092794778e-11 4.098582995e-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