# 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 = AgMg2Pt # 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 3.383914138e+02 3.383914138e+02 1.30 3.139517616e+02 3.139517616e+02 1.32 2.912745210e+02 2.912745210e+02 1.34 2.702271369e+02 2.702271369e+02 1.36 2.506913060e+02 2.506913060e+02 1.38 2.325557894e+02 2.325557894e+02 1.40 2.157123693e+02 2.157123693e+02 1.42 2.000565661e+02 2.000565661e+02 1.44 1.854909653e+02 1.854909653e+02 1.46 1.719283575e+02 1.719283575e+02 1.48 1.592928088e+02 1.592928088e+02 1.50 1.475182289e+02 1.475182289e+02 1.52 1.365454679e+02 1.365454679e+02 1.54 1.263194906e+02 1.263194906e+02 1.56 1.167877252e+02 1.167877252e+02 1.58 1.078995851e+02 1.078995851e+02 1.60 9.960660660e+01 9.960660660e+01 1.62 9.186280423e+01 9.186280423e+01 1.64 8.464990464e+01 8.464990464e+01 1.66 7.797434862e+01 7.797434862e+01 1.68 7.179513763e+01 7.179513763e+01 1.70 6.607540246e+01 6.607540246e+01 1.72 6.078283803e+01 6.078283803e+01 1.74 5.588813930e+01 5.588813930e+01 1.76 5.136357436e+01 5.136357436e+01 1.78 4.718227098e+01 4.718227098e+01 1.80 4.331830514e+01 4.331830514e+01 1.82 3.974716970e+01 3.974716970e+01 1.84 3.644614784e+01 3.644614784e+01 1.86 3.339438260e+01 3.339438260e+01 1.88 3.057269825e+01 3.057269825e+01 1.90 2.796334760e+01 2.796334760e+01 1.92 2.554982637e+01 2.554982637e+01 1.94 2.331680101e+01 2.331680101e+01 1.96 2.125013502e+01 2.125013502e+01 1.98 1.933693827e+01 1.933693827e+01 2.00 1.756557147e+01 1.756557147e+01 2.02 1.592556912e+01 1.592556912e+01 2.04 1.440749569e+01 1.440749569e+01 2.06 1.300277267e+01 1.300277267e+01 2.08 1.170351029e+01 1.170351029e+01 2.10 1.050236989e+01 1.050236989e+01 2.12 9.392465885e+00 9.392465885e+00 2.14 8.367314853e+00 8.367314853e+00 2.16 7.420824013e+00 7.420824013e+00 2.18 6.547300839e+00 6.547300839e+00 2.20 5.741467317e+00 5.741467317e+00 2.22 4.998461603e+00 4.998461603e+00 2.24 4.313828271e+00 4.313828271e+00 2.26 3.683498875e+00 3.683498875e+00 2.28 3.103763580e+00 3.103763580e+00 2.30 2.571240394e+00 2.571240394e+00 2.32 2.082794319e+00 2.082794319e+00 2.34 1.634397001e+00 1.634397001e+00 2.36 1.223181076e+00 1.223181076e+00 2.38 8.470484480e-01 8.470484480e-01 2.40 5.039403714e-01 5.039403714e-01 2.42 1.918195642e-01 1.918195642e-01 2.44 -9.134014391e-02 -9.134014391e-02 2.46 -3.475605928e-01 -3.475605928e-01 2.48 -5.788610105e-01 -5.788610105e-01 2.50 -7.872545879e-01 -7.872545879e-01 2.52 -9.747351563e-01 -9.747351563e-01 2.54 -1.143248482e+00 -1.143248482e+00 2.56 -1.294647537e+00 -1.294647537e+00 2.58 -1.430640056e+00 -1.430640056e+00 2.60 -1.552743192e+00 -1.552743192e+00 2.62 -1.662258374e+00 -1.662258374e+00 2.64 -1.760273464e+00 -1.760273464e+00 2.66 -1.847682648e+00 -1.847682648e+00 2.68 -1.925222252e+00 -1.925222252e+00 2.70 -1.993507300e+00 -1.993507300e+00 2.72 -2.053064927e+00 -2.053064927e+00 2.74 -2.104361058e+00 -2.104361058e+00 2.76 -2.147819765e+00 -2.147819765e+00 2.78 -2.183836204e+00 -2.183836204e+00 2.80 -2.212786700e+00 -2.212786700e+00 2.82 -2.235050340e+00 -2.235050340e+00 2.84 -2.251066370e+00 -2.251066370e+00 2.86 -2.261135501e+00 -2.261135501e+00 2.88 -2.265562906e+00 -2.265562906e+00 2.90 -2.264696191e+00 -2.264696191e+00 2.92 -2.258933053e+00 -2.258933053e+00 2.94 -2.248724424e+00 -2.248724424e+00 2.96 -2.234569821e+00 -2.234569821e+00 2.98 -2.217002977e+00 -2.217002977e+00 3.00 -2.196569515e+00 -2.196569515e+00 3.02 -2.173803010e+00 -2.173803010e+00 3.04 -2.149192231e+00 -2.149192231e+00 3.06 -2.123158365e+00 -2.123158365e+00 3.08 -2.096067005e+00 -2.096067005e+00 3.10 -2.068289870e+00 -2.068289870e+00 3.12 -2.040107900e+00 -2.040107900e+00 3.14 -2.011705878e+00 -2.011705878e+00 3.16 -1.983195323e+00 -1.983195323e+00 3.18 -1.954639315e+00 -1.954639315e+00 3.20 -1.926070349e+00 -1.926070349e+00 3.22 -1.897504227e+00 -1.897504227e+00 3.24 -1.868949915e+00 -1.868949915e+00 3.26 -1.840416028e+00 -1.840416028e+00 3.28 -1.811914554e+00 -1.811914554e+00 3.30 -1.783468667e+00 -1.783468667e+00 3.32 -1.755124991e+00 -1.755124991e+00 3.34 -1.726889162e+00 -1.726889162e+00 3.36 -1.698767029e+00 -1.698767029e+00 3.38 -1.670769016e+00 -1.670769016e+00 3.40 -1.642908418e+00 -1.642908418e+00 3.42 -1.615200663e+00 -1.615200663e+00 3.44 -1.587662335e+00 -1.587662335e+00 3.46 -1.560311198e+00 -1.560311198e+00 3.48 -1.533165843e+00 -1.533165843e+00 3.50 -1.506240050e+00 -1.506240050e+00 3.52 -1.479519494e+00 -1.479519494e+00 3.54 -1.452984272e+00 -1.452984272e+00 3.56 -1.426620797e+00 -1.426620797e+00 3.58 -1.400420096e+00 -1.400420096e+00 3.60 -1.374376465e+00 -1.374376465e+00 3.62 -1.348486352e+00 -1.348486352e+00 3.64 -1.322747445e+00 -1.322747445e+00 3.66 -1.297157995e+00 -1.297157995e+00 3.68 -1.271716331e+00 -1.271716331e+00 3.70 -1.246420575e+00 -1.246420575e+00 3.72 -1.221268532e+00 -1.221268532e+00 3.74 -1.196257732e+00 -1.196257732e+00 3.76 -1.171385592e+00 -1.171385592e+00 3.78 -1.146649659e+00 -1.146649659e+00 3.80 -1.122047860e+00 -1.122047860e+00 3.82 -1.097578717e+00 -1.097578717e+00 3.84 -1.073241460e+00 -1.073241460e+00 3.86 -1.049035992e+00 -1.049035992e+00 3.88 -1.024962707e+00 -1.024962707e+00 3.90 -1.001022203e+00 -1.001022203e+00 3.92 -9.772148074e-01 -9.772148074e-01 3.94 -9.535409553e-01 -9.535409553e-01 3.96 -9.300001612e-01 -9.300001612e-01 3.98 -9.065919318e-01 -9.065919318e-01 4.00 -8.833161323e-01 -8.833161323e-01 4.02 -8.601738524e-01 -8.601738524e-01 4.04 -8.371685327e-01 -8.371685327e-01 4.06 -8.143072500e-01 -8.143072500e-01 4.08 -7.916020248e-01 -7.916020248e-01 4.10 -7.690705841e-01 -7.690705841e-01 4.12 -7.467388830e-01 -7.467388830e-01 4.14 -7.246387564e-01 -7.246387564e-01 4.16 -7.028094623e-01 -7.028094623e-01 4.18 -6.812960682e-01 -6.812960682e-01 4.20 -6.601475820e-01 -6.601475820e-01 4.22 -6.394144444e-01 -6.394144444e-01 4.24 -6.191456138e-01 -6.191456138e-01 4.26 -5.993855615e-01 -5.993855615e-01 4.28 -5.801715193e-01 -5.801715193e-01 4.30 -5.615312832e-01 -5.615312832e-01 4.32 -5.434817818e-01 -5.434817818e-01 4.34 -5.260284921e-01 -5.260284921e-01 4.36 -5.091656612e-01 -5.091656612e-01 4.38 -4.928771897e-01 -4.928771897e-01 4.40 -4.771379835e-01 -4.771379835e-01 4.42 -4.619155630e-01 -4.619155630e-01 4.44 -4.471717467e-01 -4.471717467e-01 4.46 -4.328642680e-01 -4.328642680e-01 4.48 -4.189482357e-01 -4.189482357e-01 4.50 -4.053774010e-01 -4.053774010e-01 4.52 -3.921052267e-01 -3.921052267e-01 4.54 -3.790857915e-01 -3.790857915e-01 4.56 -3.662745716e-01 -3.662745716e-01 4.58 -3.536291556e-01 -3.536291556e-01 4.60 -3.411099429e-01 -3.411099429e-01 4.62 -3.286808725e-01 -3.286808725e-01 4.64 -3.163102105e-01 -3.163102105e-01 4.66 -3.039714104e-01 -3.039714104e-01 4.68 -2.916440332e-01 -2.916440332e-01 4.70 -2.793146908e-01 -2.793146908e-01 4.72 -2.669779486e-01 -2.669779486e-01 4.74 -2.546370994e-01 -2.546370994e-01 4.76 -2.423047030e-01 -2.423047030e-01 4.78 -2.300027816e-01 -2.300027816e-01 4.80 -2.177622047e-01 -2.177622047e-01 4.82 -2.056234535e-01 -2.056234535e-01 4.84 -1.936329221e-01 -1.936329221e-01 4.86 -1.818427918e-01 -1.818427918e-01 4.88 -1.703083851e-01 -1.703083851e-01 4.90 -1.590857164e-01 -1.590857164e-01 4.92 -1.482289897e-01 -1.482289897e-01 4.94 -1.377882429e-01 -1.377882429e-01 4.96 -1.278073213e-01 -1.278073213e-01 4.98 -1.183223125e-01 -1.183223125e-01 5.00 -1.093605224e-01 -1.093605224e-01 5.02 -1.009400030e-01 -1.009400030e-01 5.04 -9.306959507e-02 -9.306959507e-02 5.06 -8.574940444e-02 -8.574940444e-02 5.08 -7.897161387e-02 -7.897161387e-02 5.10 -7.272152442e-02 -7.272152442e-02 5.12 -6.697872780e-02 -6.697872780e-02 5.14 -6.171832466e-02 -6.171832466e-02 5.16 -5.691212030e-02 -5.691212030e-02 5.18 -5.252975484e-02 -5.252975484e-02 5.20 -4.853969967e-02 -4.853969967e-02 5.22 -4.491013277e-02 -4.491013277e-02 5.24 -4.160969798e-02 -4.160969798e-02 5.26 -3.860809884e-02 -3.860809884e-02 5.28 -3.587655591e-02 -3.587655591e-02 5.30 -3.338753503e-02 -3.338753503e-02 5.32 -3.111542660e-02 -3.111542660e-02 5.34 -2.903839577e-02 -2.903839577e-02 5.36 -2.713651788e-02 -2.713651788e-02 5.38 -2.539181840e-02 -2.539181840e-02 5.40 -2.378827839e-02 -2.378827839e-02 5.42 -2.231176264e-02 -2.231176264e-02 5.44 -2.094989252e-02 -2.094989252e-02 5.46 -1.969188058e-02 -1.969188058e-02 5.48 -1.852834209e-02 -1.852834209e-02 5.50 -1.745109672e-02 -1.745109672e-02 5.52 -1.645297202e-02 -1.645297202e-02 5.54 -1.552761878e-02 -1.552761878e-02 5.56 -1.466934634e-02 -1.466934634e-02 5.58 -1.387298309e-02 -1.387298309e-02 5.60 -1.313376523e-02 -1.313376523e-02 5.62 -1.244725343e-02 -1.244725343e-02 5.64 -1.180927548e-02 -1.180927548e-02 5.66 -1.121589042e-02 -1.121589042e-02 5.68 -1.066336961e-02 -1.066336961e-02 5.70 -1.014818917e-02 -1.014818917e-02 5.72 -9.667029399e-03 -9.667029399e-03 5.74 -9.216777519e-03 -9.216777519e-03 5.76 -8.794560969e-03 -8.794560969e-03 5.78 -8.397697506e-03 -8.397697506e-03 5.80 -8.023690973e-03 -8.023690973e-03 5.82 -7.670248973e-03 -7.670248973e-03 5.84 -7.335275164e-03 -7.335275164e-03 5.86 -7.016859505e-03 -7.016859505e-03 5.88 -6.713267105e-03 -6.713267105e-03 5.90 -6.422926430e-03 -6.422926430e-03 5.92 -6.144417507e-03 -6.144417507e-03 5.94 -5.876460702e-03 -5.876460702e-03 5.96 -5.617906537e-03 -5.617906537e-03 5.98 -5.367726886e-03 -5.367726886e-03 6.00 -5.125007764e-03 -5.125007764e-03