# 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 = Cu2PdZr # 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 2.143108288e+02 2.143108288e+02 1.30 1.983137565e+02 1.983137565e+02 1.32 1.835015665e+02 1.835015665e+02 1.34 1.697864365e+02 1.697864365e+02 1.36 1.570859629e+02 1.570859629e+02 1.38 1.453205451e+02 1.453205451e+02 1.40 1.344137061e+02 1.344137061e+02 1.42 1.242941336e+02 1.242941336e+02 1.44 1.148973795e+02 1.148973795e+02 1.46 1.061665041e+02 1.061665041e+02 1.48 9.805158248e+01 9.805158248e+01 1.50 9.050820894e+01 9.050820894e+01 1.52 8.349553282e+01 8.349553282e+01 1.54 7.697477648e+01 7.697477648e+01 1.56 7.090857927e+01 7.090857927e+01 1.58 6.526134698e+01 6.526134698e+01 1.60 6.000013715e+01 6.000013715e+01 1.62 5.509554285e+01 5.509554285e+01 1.64 5.052200953e+01 5.052200953e+01 1.66 4.625747058e+01 4.625747058e+01 1.68 4.228250124e+01 4.228250124e+01 1.70 3.857935423e+01 3.857935423e+01 1.72 3.513156288e+01 3.513156288e+01 1.74 3.192338971e+01 3.192338971e+01 1.76 2.894060374e+01 2.894060374e+01 1.78 2.618079305e+01 2.618079305e+01 1.80 2.363110631e+01 2.363110631e+01 1.82 2.127606412e+01 2.127606412e+01 1.84 1.910095434e+01 1.910095434e+01 1.86 1.709172447e+01 1.709172447e+01 1.88 1.523507203e+01 1.523507203e+01 1.90 1.351866872e+01 1.351866872e+01 1.92 1.193133083e+01 1.193133083e+01 1.94 1.046312723e+01 1.046312723e+01 1.96 9.105295279e+00 9.105295279e+00 1.98 7.850099194e+00 7.850099194e+00 2.00 6.690648757e+00 6.690648757e+00 2.02 5.620703899e+00 5.620703899e+00 2.04 4.634495743e+00 4.634495743e+00 2.06 3.726580847e+00 3.726580847e+00 2.08 2.891746092e+00 2.891746092e+00 2.10 2.124955021e+00 2.124955021e+00 2.12 1.421369375e+00 1.421369375e+00 2.14 7.763888383e-01 7.763888383e-01 2.16 1.857106005e-01 1.857106005e-01 2.18 -3.546454849e-01 -3.546454849e-01 2.20 -8.483423212e-01 -8.483423212e-01 2.22 -1.298768652e+00 -1.298768652e+00 2.24 -1.709074475e+00 -1.709074475e+00 2.26 -2.082190578e+00 -2.082190578e+00 2.28 -2.420837678e+00 -2.420837678e+00 2.30 -2.727529771e+00 -2.727529771e+00 2.32 -3.004608755e+00 -3.004608755e+00 2.34 -3.254243612e+00 -3.254243612e+00 2.36 -3.478465309e+00 -3.478465309e+00 2.38 -3.679171400e+00 -3.679171400e+00 2.40 -3.858132686e+00 -3.858132686e+00 2.42 -4.017032328e+00 -4.017032328e+00 2.44 -4.157488111e+00 -4.157488111e+00 2.46 -4.280914307e+00 -4.280914307e+00 2.48 -4.388680686e+00 -4.388680686e+00 2.50 -4.482115132e+00 -4.482115132e+00 2.52 -4.562476360e+00 -4.562476360e+00 2.54 -4.630920931e+00 -4.630920931e+00 2.56 -4.688476855e+00 -4.688476855e+00 2.58 -4.735975119e+00 -4.735975119e+00 2.60 -4.774001167e+00 -4.774001167e+00 2.62 -4.803065618e+00 -4.803065618e+00 2.64 -4.823663603e+00 -4.823663603e+00 2.66 -4.836285030e+00 -4.836285030e+00 2.68 -4.841443114e+00 -4.841443114e+00 2.70 -4.839677329e+00 -4.839677329e+00 2.72 -4.831547429e+00 -4.831547429e+00 2.74 -4.817617730e+00 -4.817617730e+00 2.76 -4.798519738e+00 -4.798519738e+00 2.78 -4.775018022e+00 -4.775018022e+00 2.80 -4.747459738e+00 -4.747459738e+00 2.82 -4.716118352e+00 -4.716118352e+00 2.84 -4.681244374e+00 -4.681244374e+00 2.86 -4.643326263e+00 -4.643326263e+00 2.88 -4.602647228e+00 -4.602647228e+00 2.90 -4.559138101e+00 -4.559138101e+00 2.92 -4.512807375e+00 -4.512807375e+00 2.94 -4.463746655e+00 -4.463746655e+00 2.96 -4.412128249e+00 -4.412128249e+00 2.98 -4.358153808e+00 -4.358153808e+00 3.00 -4.302035508e+00 -4.302035508e+00 3.02 -4.243984046e+00 -4.243984046e+00 3.04 -4.184199747e+00 -4.184199747e+00 3.06 -4.122901043e+00 -4.122901043e+00 3.08 -4.060289938e+00 -4.060289938e+00 3.10 -3.996547852e+00 -3.996547852e+00 3.12 -3.931831573e+00 -3.931831573e+00 3.14 -3.866283831e+00 -3.866283831e+00 3.16 -3.800020675e+00 -3.800020675e+00 3.18 -3.733142677e+00 -3.733142677e+00 3.20 -3.665733659e+00 -3.665733659e+00 3.22 -3.597863149e+00 -3.597863149e+00 3.24 -3.529590375e+00 -3.529590375e+00 3.26 -3.460969718e+00 -3.460969718e+00 3.28 -3.392056694e+00 -3.392056694e+00 3.30 -3.322913063e+00 -3.322913063e+00 3.32 -3.253609691e+00 -3.253609691e+00 3.34 -3.184226574e+00 -3.184226574e+00 3.36 -3.114850443e+00 -3.114850443e+00 3.38 -3.045571142e+00 -3.045571142e+00 3.40 -2.976476995e+00 -2.976476995e+00 3.42 -2.907656993e+00 -2.907656993e+00 3.44 -2.839192017e+00 -2.839192017e+00 3.46 -2.771159700e+00 -2.771159700e+00 3.48 -2.703632853e+00 -2.703632853e+00 3.50 -2.636679212e+00 -2.636679212e+00 3.52 -2.570360892e+00 -2.570360892e+00 3.54 -2.504733589e+00 -2.504733589e+00 3.56 -2.439845733e+00 -2.439845733e+00 3.58 -2.375737794e+00 -2.375737794e+00 3.60 -2.312441944e+00 -2.312441944e+00 3.62 -2.249982207e+00 -2.249982207e+00 3.64 -2.188375182e+00 -2.188375182e+00 3.66 -2.127631359e+00 -2.127631359e+00 3.68 -2.067757031e+00 -2.067757031e+00 3.70 -2.008756724e+00 -2.008756724e+00 3.72 -1.950636023e+00 -1.950636023e+00 3.74 -1.893404597e+00 -1.893404597e+00 3.76 -1.837079109e+00 -1.837079109e+00 3.78 -1.781685630e+00 -1.781685630e+00 3.80 -1.727261110e+00 -1.727261110e+00 3.82 -1.673853459e+00 -1.673853459e+00 3.84 -1.621519945e+00 -1.621519945e+00 3.86 -1.570323817e+00 -1.570323817e+00 3.88 -1.520329428e+00 -1.520329428e+00 3.90 -1.471596479e+00 -1.471596479e+00 3.92 -1.424172916e+00 -1.424172916e+00 3.94 -1.378095868e+00 -1.378095868e+00 3.96 -1.333379594e+00 -1.333379594e+00 3.98 -1.290021031e+00 -1.290021031e+00 4.00 -1.247999379e+00 -1.247999379e+00 4.02 -1.207279068e+00 -1.207279068e+00 4.04 -1.167813697e+00 -1.167813697e+00 4.06 -1.129550213e+00 -1.129550213e+00 4.08 -1.092432680e+00 -1.092432680e+00 4.10 -1.056401419e+00 -1.056401419e+00 4.12 -1.021410928e+00 -1.021410928e+00 4.14 -9.874056634e-01 -9.874056634e-01 4.16 -9.543380051e-01 -9.543380051e-01 4.18 -9.221632734e-01 -9.221632734e-01 4.20 -8.908393140e-01 -8.908393140e-01 4.22 -8.603262156e-01 -8.603262156e-01 4.24 -8.305863642e-01 -8.305863642e-01 4.26 -8.015849279e-01 -8.015849279e-01 4.28 -7.732907524e-01 -7.732907524e-01 4.30 -7.456775420e-01 -7.456775420e-01 4.32 -7.187251297e-01 -7.187251297e-01 4.34 -6.924206009e-01 -6.924206009e-01 4.36 -6.667590329e-01 -6.667590329e-01 4.38 -6.417436537e-01 -6.417436537e-01 4.40 -6.173852864e-01 -6.173852864e-01 4.42 -5.937010479e-01 -5.937010479e-01 4.44 -5.707123761e-01 -5.707123761e-01 4.46 -5.484425691e-01 -5.484425691e-01 4.48 -5.269141036e-01 -5.269141036e-01 4.50 -5.061460450e-01 -5.061460450e-01 4.52 -4.861518510e-01 -4.861518510e-01 4.54 -4.669378119e-01 -4.669378119e-01 4.56 -4.485022705e-01 -4.485022705e-01 4.58 -4.308356468e-01 -4.308356468e-01 4.60 -4.139211835e-01 -4.139211835e-01 4.62 -3.977362439e-01 -3.977362439e-01 4.64 -3.822539467e-01 -3.822539467e-01 4.66 -3.674449109e-01 -3.674449109e-01 4.68 -3.532789122e-01 -3.532789122e-01 4.70 -3.397262887e-01 -3.397262887e-01 4.72 -3.267588429e-01 -3.267588429e-01 4.74 -3.143506800e-01 -3.143506800e-01 4.76 -3.024787514e-01 -3.024787514e-01 4.78 -2.911223060e-01 -2.911223060e-01 4.80 -2.802593863e-01 -2.802593863e-01 4.82 -2.698795728e-01 -2.698795728e-01 4.84 -2.599626018e-01 -2.599626018e-01 4.86 -2.504923247e-01 -2.504923247e-01 4.88 -2.414523816e-01 -2.414523816e-01 4.90 -2.328258471e-01 -2.328258471e-01 4.92 -2.245950371e-01 -2.245950371e-01 4.94 -2.167414724e-01 -2.167414724e-01 4.96 -2.092459730e-01 -2.092459730e-01 4.98 -2.020888513e-01 -2.020888513e-01 5.00 -1.952501632e-01 -1.952501632e-01 5.02 -1.887099815e-01 -1.887099815e-01 5.04 -1.824486616e-01 -1.824486616e-01 5.06 -1.764470785e-01 -1.764470785e-01 5.08 -1.706868235e-01 -1.706868235e-01 5.10 -1.651503550e-01 -1.651503550e-01 5.12 -1.598211060e-01 -1.598211060e-01 5.14 -1.546835529e-01 -1.546835529e-01 5.16 -1.497232547e-01 -1.497232547e-01 5.18 -1.449268707e-01 -1.449268707e-01 5.20 -1.402821652e-01 -1.402821652e-01 5.22 -1.357780079e-01 -1.357780079e-01 5.24 -1.314043744e-01 -1.314043744e-01 5.26 -1.271523516e-01 -1.271523516e-01 5.28 -1.230141497e-01 -1.230141497e-01 5.30 -1.189831188e-01 -1.189831188e-01 5.32 -1.150537679e-01 -1.150537679e-01 5.34 -1.112217786e-01 -1.112217786e-01 5.36 -1.074840053e-01 -1.074840053e-01 5.38 -1.038384528e-01 -1.038384528e-01 5.40 -1.002842228e-01 -1.002842228e-01 5.42 -9.682141830e-02 -9.682141830e-02 5.44 -9.345100241e-02 -9.345100241e-02 5.46 -9.017461046e-02 -9.017461046e-02 5.48 -8.699432438e-02 -8.699432438e-02 5.50 -8.391241491e-02 -8.391241491e-02 5.52 -8.093107218e-02 -8.093107218e-02 5.54 -7.805214686e-02 -7.805214686e-02 5.56 -7.527692144e-02 -7.527692144e-02 5.58 -7.260592922e-02 -7.260592922e-02 5.60 -7.003878150e-02 -7.003878150e-02 5.62 -6.757418787e-02 -6.757418787e-02 5.64 -6.521001940e-02 -6.521001940e-02 5.66 -6.294327585e-02 -6.294327585e-02 5.68 -6.077019361e-02 -6.077019361e-02 5.70 -5.868638095e-02 -5.868638095e-02 5.72 -5.668696526e-02 -5.668696526e-02 5.74 -5.476673944e-02 -5.476673944e-02 5.76 -5.292029744e-02 -5.292029744e-02 5.78 -5.114215262e-02 -5.114215262e-02 5.80 -4.942683568e-02 -4.942683568e-02 5.82 -4.776897158e-02 -4.776897158e-02 5.84 -4.616333677e-02 -4.616333677e-02 5.86 -4.460489967e-02 -4.460489967e-02 5.88 -4.308884749e-02 -4.308884749e-02 5.90 -4.161060340e-02 -4.161060340e-02 5.92 -4.016583731e-02 -4.016583731e-02 5.94 -3.875047389e-02 -3.875047389e-02 5.96 -3.736070047e-02 -3.736070047e-02 5.98 -3.599297744e-02 -3.599297744e-02 6.00 -3.464405296e-02 -3.464405296e-02