# 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 = CoNiZr2 # 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 2.343357232e+02 2.343357232e+02 1.30 2.167020412e+02 2.167020412e+02 1.32 2.003878727e+02 2.003878727e+02 1.34 1.852852474e+02 1.852852474e+02 1.36 1.712973145e+02 1.712973145e+02 1.38 1.583378045e+02 1.583378045e+02 1.40 1.463294230e+02 1.463294230e+02 1.42 1.352014087e+02 1.352014087e+02 1.44 1.248874151e+02 1.248874151e+02 1.46 1.153249175e+02 1.153249175e+02 1.48 1.064558780e+02 1.064558780e+02 1.50 9.822717129e+01 9.822717129e+01 1.52 9.059015280e+01 9.059015280e+01 1.54 8.349991600e+01 8.349991600e+01 1.56 7.691497146e+01 7.691497146e+01 1.58 7.079739075e+01 7.079739075e+01 1.60 6.511283109e+01 6.511283109e+01 1.62 5.983014513e+01 5.983014513e+01 1.64 5.492076517e+01 5.492076517e+01 1.66 5.035815275e+01 5.035815275e+01 1.68 4.611748141e+01 4.611748141e+01 1.70 4.217563798e+01 4.217563798e+01 1.72 3.851121756e+01 3.851121756e+01 1.74 3.510446614e+01 3.510446614e+01 1.76 3.193715518e+01 3.193715518e+01 1.78 2.899252013e+01 2.899252013e+01 1.80 2.625517400e+01 2.625517400e+01 1.82 2.371099712e+01 2.371099712e+01 1.84 2.134685280e+01 2.134685280e+01 1.86 1.915044811e+01 1.915044811e+01 1.88 1.711046360e+01 1.711046360e+01 1.90 1.521716753e+01 1.521716753e+01 1.92 1.346077670e+01 1.346077670e+01 1.94 1.183210863e+01 1.183210863e+01 1.96 1.032300578e+01 1.032300578e+01 1.98 8.925547325e+00 8.925547325e+00 2.00 7.632124816e+00 7.632124816e+00 2.02 6.435649127e+00 6.435649127e+00 2.04 5.329521622e+00 5.329521622e+00 2.06 4.307574815e+00 4.307574815e+00 2.08 3.363995964e+00 3.363995964e+00 2.10 2.493276492e+00 2.493276492e+00 2.12 1.690210495e+00 1.690210495e+00 2.14 9.499213054e-01 9.499213054e-01 2.16 2.679173334e-01 2.679173334e-01 2.18 -3.598962247e-01 -3.598962247e-01 2.20 -9.372409002e-01 -9.372409002e-01 2.22 -1.467546878e+00 -1.467546878e+00 2.24 -1.954019281e+00 -1.954019281e+00 2.26 -2.399669334e+00 -2.399669334e+00 2.28 -2.807326578e+00 -2.807326578e+00 2.30 -3.179597381e+00 -3.179597381e+00 2.32 -3.518901262e+00 -3.518901262e+00 2.34 -3.827446340e+00 -3.827446340e+00 2.36 -4.107285137e+00 -4.107285137e+00 2.38 -4.360336231e+00 -4.360336231e+00 2.40 -4.588409127e+00 -4.588409127e+00 2.42 -4.793233787e+00 -4.793233787e+00 2.44 -4.976473178e+00 -4.976473178e+00 2.46 -5.139743296e+00 -5.139743296e+00 2.48 -5.284610973e+00 -5.284610973e+00 2.50 -5.412578671e+00 -5.412578671e+00 2.52 -5.525060154e+00 -5.525060154e+00 2.54 -5.623356079e+00 -5.623356079e+00 2.56 -5.708637469e+00 -5.708637469e+00 2.58 -5.781941577e+00 -5.781941577e+00 2.60 -5.844180363e+00 -5.844180363e+00 2.62 -5.896154534e+00 -5.896154534e+00 2.64 -5.938591000e+00 -5.938591000e+00 2.66 -5.972225252e+00 -5.972225252e+00 2.68 -5.997688832e+00 -5.997688832e+00 2.70 -6.015436227e+00 -6.015436227e+00 2.72 -6.025941246e+00 -6.025941246e+00 2.74 -6.029694089e+00 -6.029694089e+00 2.76 -6.027191220e+00 -6.027191220e+00 2.78 -6.018917873e+00 -6.018917873e+00 2.80 -6.005344685e+00 -6.005344685e+00 2.82 -5.986853812e+00 -5.986853812e+00 2.84 -5.963565648e+00 -5.963565648e+00 2.86 -5.935543135e+00 -5.935543135e+00 2.88 -5.902882653e+00 -5.902882653e+00 2.90 -5.865710134e+00 -5.865710134e+00 2.92 -5.824179665e+00 -5.824179665e+00 2.94 -5.778499522e+00 -5.778499522e+00 2.96 -5.728864169e+00 -5.728864169e+00 2.98 -5.675466883e+00 -5.675466883e+00 3.00 -5.618523537e+00 -5.618523537e+00 3.02 -5.558267429e+00 -5.558267429e+00 3.04 -5.494939493e+00 -5.494939493e+00 3.06 -5.428802735e+00 -5.428802735e+00 3.08 -5.360107653e+00 -5.360107653e+00 3.10 -5.289111608e+00 -5.289111608e+00 3.12 -5.216036264e+00 -5.216036264e+00 3.14 -5.141033481e+00 -5.141033481e+00 3.16 -5.064237721e+00 -5.064237721e+00 3.18 -4.985809991e+00 -4.985809991e+00 3.20 -4.905929433e+00 -4.905929433e+00 3.22 -4.824788975e+00 -4.824788975e+00 3.24 -4.742591888e+00 -4.742591888e+00 3.26 -4.659549614e+00 -4.659549614e+00 3.28 -4.575880195e+00 -4.575880195e+00 3.30 -4.491805837e+00 -4.491805837e+00 3.32 -4.407548141e+00 -4.407548141e+00 3.34 -4.323320539e+00 -4.323320539e+00 3.36 -4.239318991e+00 -4.239318991e+00 3.38 -4.155713047e+00 -4.155713047e+00 3.40 -4.072637733e+00 -4.072637733e+00 3.42 -3.990198863e+00 -3.990198863e+00 3.44 -3.908462598e+00 -3.908462598e+00 3.46 -3.827468756e+00 -3.827468756e+00 3.48 -3.747234694e+00 -3.747234694e+00 3.50 -3.667761663e+00 -3.667761663e+00 3.52 -3.589040431e+00 -3.589040431e+00 3.54 -3.511055753e+00 -3.511055753e+00 3.56 -3.433789674e+00 -3.433789674e+00 3.58 -3.357223798e+00 -3.357223798e+00 3.60 -3.281340783e+00 -3.281340783e+00 3.62 -3.206125311e+00 -3.206125311e+00 3.64 -3.131564792e+00 -3.131564792e+00 3.66 -3.057650036e+00 -3.057650036e+00 3.68 -2.984376115e+00 -2.984376115e+00 3.70 -2.911743592e+00 -2.911743592e+00 3.72 -2.839760222e+00 -2.839760222e+00 3.74 -2.768443120e+00 -2.768443120e+00 3.76 -2.697821243e+00 -2.697821243e+00 3.78 -2.627937847e+00 -2.627937847e+00 3.80 -2.558852421e+00 -2.558852421e+00 3.82 -2.490641464e+00 -2.490641464e+00 3.84 -2.423397480e+00 -2.423397480e+00 3.86 -2.357225742e+00 -2.357225742e+00 3.88 -2.292238741e+00 -2.292238741e+00 3.90 -2.228548783e+00 -2.228548783e+00 3.92 -2.166256168e+00 -2.166256168e+00 3.94 -2.105456051e+00 -2.105456051e+00 3.96 -2.046208877e+00 -2.046208877e+00 3.98 -1.988553239e+00 -1.988553239e+00 4.00 -1.932500799e+00 -1.932500799e+00 4.02 -1.878038269e+00 -1.878038269e+00 4.04 -1.825131336e+00 -1.825131336e+00 4.06 -1.773729637e+00 -1.773729637e+00 4.08 -1.723771954e+00 -1.723771954e+00 4.10 -1.675183947e+00 -1.675183947e+00 4.12 -1.627911787e+00 -1.627911787e+00 4.14 -1.581878631e+00 -1.581878631e+00 4.16 -1.537019759e+00 -1.537019759e+00 4.18 -1.493275397e+00 -1.493275397e+00 4.20 -1.450591665e+00 -1.450591665e+00 4.22 -1.408921074e+00 -1.408921074e+00 4.24 -1.368222674e+00 -1.368222674e+00 4.26 -1.328461943e+00 -1.328461943e+00 4.28 -1.289610493e+00 -1.289610493e+00 4.30 -1.251645637e+00 -1.251645637e+00 4.32 -1.214549896e+00 -1.214549896e+00 4.34 -1.178310489e+00 -1.178310489e+00 4.36 -1.142918851e+00 -1.142918851e+00 4.38 -1.108370206e+00 -1.108370206e+00 4.40 -1.074663148e+00 -1.074663148e+00 4.42 -1.041799208e+00 -1.041799208e+00 4.44 -1.009782285e+00 -1.009782285e+00 4.46 -9.786179128e-01 -9.786179128e-01 4.48 -9.483122982e-01 -9.483122982e-01 4.50 -9.188711687e-01 -9.188711687e-01 4.52 -8.902985097e-01 -8.902985097e-01 4.54 -8.625953227e-01 -8.625953227e-01 4.56 -8.357585505e-01 -8.357585505e-01 4.58 -8.097803033e-01 -8.097803033e-01 4.60 -7.846474715e-01 -7.846474715e-01 4.62 -7.603417539e-01 -7.603417539e-01 4.64 -7.368400714e-01 -7.368400714e-01 4.66 -7.141152884e-01 -7.141152884e-01 4.68 -6.921371432e-01 -6.921371432e-01 4.70 -6.708732827e-01 -6.708732827e-01 4.72 -6.502903090e-01 -6.502903090e-01 4.74 -6.303547701e-01 -6.303547701e-01 4.76 -6.110340468e-01 -6.110340468e-01 4.78 -5.922971113e-01 -5.922971113e-01 4.80 -5.741089730e-01 -5.741089730e-01 4.82 -5.564568873e-01 -5.564568873e-01 4.84 -5.393103273e-01 -5.393103273e-01 4.86 -5.226493750e-01 -5.226493750e-01 4.88 -5.064572929e-01 -5.064572929e-01 4.90 -4.907203647e-01 -4.907203647e-01 4.92 -4.754275647e-01 -4.754275647e-01 4.94 -4.605700685e-01 -4.605700685e-01 4.96 -4.461406309e-01 -4.461406309e-01 4.98 -4.321328774e-01 -4.321328774e-01 5.00 -4.185405693e-01 -4.185405693e-01 5.02 -4.053569134e-01 -4.053569134e-01 5.04 -3.925739797e-01 -3.925739797e-01 5.06 -3.801822799e-01 -3.801822799e-01 5.08 -3.681705378e-01 -3.681705378e-01 5.10 -3.565256550e-01 -3.565256550e-01 5.12 -3.452328547e-01 -3.452328547e-01 5.14 -3.342759692e-01 -3.342759692e-01 5.16 -3.236378286e-01 -3.236378286e-01 5.18 -3.133007089e-01 -3.133007089e-01 5.20 -3.032468035e-01 -3.032468035e-01 5.22 -2.934586912e-01 -2.934586912e-01 5.24 -2.839197844e-01 -2.839197844e-01 5.26 -2.746147456e-01 -2.746147456e-01 5.28 -2.655298688e-01 -2.655298688e-01 5.30 -2.566534180e-01 -2.566534180e-01 5.32 -2.479759190e-01 -2.479759190e-01 5.34 -2.394903892e-01 -2.394903892e-01 5.36 -2.311924937e-01 -2.311924937e-01 5.38 -2.230806043e-01 -2.230806043e-01 5.40 -2.151557433e-01 -2.151557433e-01 5.42 -2.074213929e-01 -2.074213929e-01 5.44 -1.998831622e-01 -1.998831622e-01 5.46 -1.925483130e-01 -1.925483130e-01 5.48 -1.854251639e-01 -1.854251639e-01 5.50 -1.785224069e-01 -1.785224069e-01 5.52 -1.718483895e-01 -1.718483895e-01 5.54 -1.654104151e-01 -1.654104151e-01 5.56 -1.592141246e-01 -1.592141246e-01 5.58 -1.532630066e-01 -1.532630066e-01 5.60 -1.475578710e-01 -1.475578710e-01 5.62 -1.420969466e-01 -1.420969466e-01 5.64 -1.368762592e-01 -1.368762592e-01 5.66 -1.318893481e-01 -1.318893481e-01 5.68 -1.271275740e-01 -1.271275740e-01 5.70 -1.225805074e-01 -1.225805074e-01 5.72 -1.182363490e-01 -1.182363490e-01 5.74 -1.140823459e-01 -1.140823459e-01 5.76 -1.101051761e-01 -1.101051761e-01 5.78 -1.062912844e-01 -1.062912844e-01 5.80 -1.026271587e-01 -1.026271587e-01 5.82 -9.909954732e-02 -9.909954732e-02 5.84 -9.569561940e-02 -9.569561940e-02 5.86 -9.240307672e-02 -9.240307672e-02 5.88 -8.921022597e-02 -8.921022597e-02 5.90 -8.610602127e-02 -8.610602127e-02 5.92 -8.308008661e-02 -8.308008661e-02 5.94 -8.012272715e-02 -8.012272715e-02 5.96 -7.722493679e-02 -7.722493679e-02 5.98 -7.437840863e-02 -7.437840863e-02 6.00 -7.157555324e-02 -7.157555324e-02