# 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 = MgMoPb2 # 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 4.255251092e+02 4.255251092e+02 1.30 3.967624310e+02 3.967624310e+02 1.32 3.700328327e+02 3.700328327e+02 1.34 3.451762134e+02 3.451762134e+02 1.36 3.220488294e+02 3.220488294e+02 1.38 3.005210466e+02 3.005210466e+02 1.40 2.804748112e+02 2.804748112e+02 1.42 2.618013272e+02 2.618013272e+02 1.44 2.443992906e+02 2.443992906e+02 1.46 2.281738598e+02 2.281738598e+02 1.48 2.130364106e+02 2.130364106e+02 1.50 1.989048771e+02 1.989048771e+02 1.52 1.857041633e+02 1.857041633e+02 1.54 1.733661905e+02 1.733661905e+02 1.56 1.618293369e+02 1.618293369e+02 1.58 1.510375315e+02 1.510375315e+02 1.60 1.409392706e+02 1.409392706e+02 1.62 1.314868422e+02 1.314868422e+02 1.64 1.226357797e+02 1.226357797e+02 1.66 1.143446014e+02 1.143446014e+02 1.68 1.065747344e+02 1.065747344e+02 1.70 9.929057236e+01 9.929057236e+01 1.72 9.246121728e+01 9.246121728e+01 1.74 8.605873597e+01 8.605873597e+01 1.76 8.006844149e+01 8.006844149e+01 1.78 7.446945981e+01 7.446945981e+01 1.80 6.923902911e+01 6.923902911e+01 1.82 6.435600609e+01 6.435600609e+01 1.84 5.980022992e+01 5.980022992e+01 1.86 5.555207815e+01 5.555207815e+01 1.88 5.159228121e+01 5.159228121e+01 1.90 4.790194930e+01 4.790194930e+01 1.92 4.446272593e+01 4.446272593e+01 1.94 4.125701910e+01 4.125701910e+01 1.96 3.826818138e+01 3.826818138e+01 1.98 3.548062754e+01 3.548062754e+01 2.00 3.287986254e+01 3.287986254e+01 2.02 3.045244620e+01 3.045244620e+01 2.04 2.818592526e+01 2.818592526e+01 2.06 2.606876491e+01 2.606876491e+01 2.08 2.409029757e+01 2.409029757e+01 2.10 2.224067727e+01 2.224067727e+01 2.12 2.051085096e+01 2.051085096e+01 2.14 1.889251729e+01 1.889251729e+01 2.16 1.737808475e+01 1.737808475e+01 2.18 1.596062305e+01 1.596062305e+01 2.20 1.463380409e+01 1.463380409e+01 2.22 1.339184111e+01 1.339184111e+01 2.24 1.222942588e+01 1.222942588e+01 2.26 1.114167012e+01 1.114167012e+01 2.28 1.012405461e+01 1.012405461e+01 2.30 9.172381555e+00 9.172381555e+00 2.32 8.282726626e+00 8.282726626e+00 2.34 7.451411052e+00 7.451411052e+00 2.36 6.674959048e+00 6.674959048e+00 2.38 5.950072343e+00 5.950072343e+00 2.40 5.273611105e+00 5.273611105e+00 2.42 4.642585846e+00 4.642585846e+00 2.44 4.054159677e+00 4.054159677e+00 2.46 3.505666125e+00 3.505666125e+00 2.48 2.994718243e+00 2.994718243e+00 2.50 2.518940961e+00 2.518940961e+00 2.52 2.076089836e+00 2.076089836e+00 2.54 1.664108177e+00 1.664108177e+00 2.56 1.281106102e+00 1.281106102e+00 2.58 9.253383380e-01 9.253383380e-01 2.60 5.951835866e-01 5.951835866e-01 2.62 2.891278893e-01 2.891278893e-01 2.64 5.748453530e-03 5.748453530e-03 2.66 -2.562036439e-01 -2.562036439e-01 2.68 -4.978436853e-01 -4.978436853e-01 2.70 -7.202554258e-01 -7.202554258e-01 2.72 -9.244943193e-01 -9.244943193e-01 2.74 -1.111585117e+00 -1.111585117e+00 2.76 -1.282518764e+00 -1.282518764e+00 2.78 -1.438248869e+00 -1.438248869e+00 2.80 -1.579690347e+00 -1.579690347e+00 2.82 -1.707715553e+00 -1.707715553e+00 2.84 -1.823155297e+00 -1.823155297e+00 2.86 -1.926799063e+00 -1.926799063e+00 2.88 -2.019396504e+00 -2.019396504e+00 2.90 -2.101659374e+00 -2.101659374e+00 2.92 -2.174263473e+00 -2.174263473e+00 2.94 -2.237850208e+00 -2.237850208e+00 2.96 -2.293027589e+00 -2.293027589e+00 2.98 -2.340370602e+00 -2.340370602e+00 3.00 -2.380421172e+00 -2.380421172e+00 3.02 -2.413688043e+00 -2.413688043e+00 3.04 -2.440646227e+00 -2.440646227e+00 3.06 -2.461740939e+00 -2.461740939e+00 3.08 -2.477384344e+00 -2.477384344e+00 3.10 -2.487961453e+00 -2.487961453e+00 3.12 -2.493830589e+00 -2.493830589e+00 3.14 -2.495331831e+00 -2.495331831e+00 3.16 -2.492779431e+00 -2.492779431e+00 3.18 -2.486468829e+00 -2.486468829e+00 3.20 -2.476673821e+00 -2.476673821e+00 3.22 -2.463644625e+00 -2.463644625e+00 3.24 -2.447659861e+00 -2.447659861e+00 3.26 -2.428946410e+00 -2.428946410e+00 3.28 -2.407577152e+00 -2.407577152e+00 3.30 -2.383586678e+00 -2.383586678e+00 3.32 -2.357015422e+00 -2.357015422e+00 3.34 -2.327920899e+00 -2.327920899e+00 3.36 -2.296382357e+00 -2.296382357e+00 3.38 -2.262473001e+00 -2.262473001e+00 3.40 -2.226269212e+00 -2.226269212e+00 3.42 -2.187897070e+00 -2.187897070e+00 3.44 -2.147526907e+00 -2.147526907e+00 3.46 -2.105360142e+00 -2.105360142e+00 3.48 -2.061639030e+00 -2.061639030e+00 3.50 -2.016639491e+00 -2.016639491e+00 3.52 -1.970657407e+00 -1.970657407e+00 3.54 -1.923994560e+00 -1.923994560e+00 3.56 -1.876945493e+00 -1.876945493e+00 3.58 -1.829786441e+00 -1.829786441e+00 3.60 -1.782767121e+00 -1.782767121e+00 3.62 -1.736105708e+00 -1.736105708e+00 3.64 -1.689986862e+00 -1.689986862e+00 3.66 -1.644562331e+00 -1.644562331e+00 3.68 -1.599953383e+00 -1.599953383e+00 3.70 -1.556254286e+00 -1.556254286e+00 3.72 -1.513536101e+00 -1.513536101e+00 3.74 -1.471850228e+00 -1.471850228e+00 3.76 -1.431231417e+00 -1.431231417e+00 3.78 -1.391700143e+00 -1.391700143e+00 3.80 -1.353264480e+00 -1.353264480e+00 3.82 -1.315921660e+00 -1.315921660e+00 3.84 -1.279659542e+00 -1.279659542e+00 3.86 -1.244458094e+00 -1.244458094e+00 3.88 -1.210290959e+00 -1.210290959e+00 3.90 -1.177127036e+00 -1.177127036e+00 3.92 -1.144931057e+00 -1.144931057e+00 3.94 -1.113668986e+00 -1.113668986e+00 3.96 -1.083302897e+00 -1.083302897e+00 3.98 -1.053796386e+00 -1.053796386e+00 4.00 -1.025114124e+00 -1.025114124e+00 4.02 -9.972223809e-01 -9.972223809e-01 4.04 -9.700893549e-01 -9.700893549e-01 4.06 -9.436853421e-01 -9.436853421e-01 4.08 -9.179827769e-01 -9.179827769e-01 4.10 -8.929535810e-01 -8.929535810e-01 4.12 -8.685798881e-01 -8.685798881e-01 4.14 -8.448368159e-01 -8.448368159e-01 4.16 -8.217042637e-01 -8.217042637e-01 4.18 -7.991635586e-01 -7.991635586e-01 4.20 -7.771972824e-01 -7.771972824e-01 4.22 -7.557891176e-01 -7.557891176e-01 4.24 -7.349237121e-01 -7.349237121e-01 4.26 -7.145865666e-01 -7.145865666e-01 4.28 -6.947639401e-01 -6.947639401e-01 4.30 -6.754427735e-01 -6.754427735e-01 4.32 -6.566106248e-01 -6.566106248e-01 4.34 -6.382556150e-01 -6.382556150e-01 4.36 -6.203663795e-01 -6.203663795e-01 4.38 -6.029320221e-01 -6.029320221e-01 4.40 -5.859420704e-01 -5.859420704e-01 4.42 -5.693864306e-01 -5.693864306e-01 4.44 -5.532553412e-01 -5.532553412e-01 4.46 -5.375393254e-01 -5.375393254e-01 4.48 -5.222291442e-01 -5.222291442e-01 4.50 -5.073157497e-01 -5.073157497e-01 4.52 -4.927902416e-01 -4.927902416e-01 4.54 -4.786438272e-01 -4.786438272e-01 4.56 -4.648677871e-01 -4.648677871e-01 4.58 -4.514534461e-01 -4.514534461e-01 4.60 -4.383921525e-01 -4.383921525e-01 4.62 -4.256752637e-01 -4.256752637e-01 4.64 -4.132941391e-01 -4.132941391e-01 4.66 -4.012401396e-01 -4.012401396e-01 4.68 -3.895046333e-01 -3.895046333e-01 4.70 -3.780790047e-01 -3.780790047e-01 4.72 -3.669546681e-01 -3.669546681e-01 4.74 -3.561230814e-01 -3.561230814e-01 4.76 -3.455757615e-01 -3.455757615e-01 4.78 -3.353042975e-01 -3.353042975e-01 4.80 -3.252986600e-01 -3.252986600e-01 4.82 -3.155542983e-01 -3.155542983e-01 4.84 -3.060610641e-01 -3.060610641e-01 4.86 -2.968109512e-01 -2.968109512e-01 4.88 -2.877960746e-01 -2.877960746e-01 4.90 -2.790086825e-01 -2.790086825e-01 4.92 -2.704411735e-01 -2.704411735e-01 4.94 -2.620861189e-01 -2.620861189e-01 4.96 -2.539362946e-01 -2.539362946e-01 4.98 -2.459847209e-01 -2.459847209e-01 5.00 -2.382247134e-01 -2.382247134e-01 5.02 -2.306499432e-01 -2.306499432e-01 5.04 -2.232545068e-01 -2.232545068e-01 5.06 -2.160330020e-01 -2.160330020e-01 5.08 -2.089806079e-01 -2.089806079e-01 5.10 -2.020931633e-01 -2.020931633e-01 5.12 -1.953672376e-01 -1.953672376e-01 5.14 -1.888001873e-01 -1.888001873e-01 5.16 -1.823901895e-01 -1.823901895e-01 5.18 -1.761362438e-01 -1.761362438e-01 5.20 -1.700381402e-01 -1.700381402e-01 5.22 -1.640963838e-01 -1.640963838e-01 5.24 -1.583120764e-01 -1.583120764e-01 5.26 -1.526867572e-01 -1.526867572e-01 5.28 -1.472222102e-01 -1.472222102e-01 5.30 -1.419202489e-01 -1.419202489e-01 5.32 -1.367824915e-01 -1.367824915e-01 5.34 -1.318101432e-01 -1.318101432e-01 5.36 -1.270038027e-01 -1.270038027e-01 5.38 -1.223633038e-01 -1.223633038e-01 5.40 -1.178876036e-01 -1.178876036e-01 5.42 -1.135747194e-01 -1.135747194e-01 5.44 -1.094217149e-01 -1.094217149e-01 5.46 -1.054247315e-01 -1.054247315e-01 5.48 -1.015790551e-01 -1.015790551e-01 5.50 -9.787921041e-02 -9.787921041e-02 5.52 -9.431901252e-02 -9.431901252e-02 5.54 -9.089154724e-02 -9.089154724e-02 5.56 -8.758984416e-02 -8.758984416e-02 5.58 -8.440666998e-02 -8.440666998e-02 5.60 -8.133459782e-02 -8.133459782e-02 5.62 -7.836612194e-02 -7.836612194e-02 5.64 -7.549376167e-02 -7.549376167e-02 5.66 -7.271015442e-02 -7.271015442e-02 5.68 -7.000813778e-02 -7.000813778e-02 5.70 -6.738082183e-02 -6.738082183e-02 5.72 -6.482165253e-02 -6.482165253e-02 5.74 -6.232446790e-02 -6.232446790e-02 5.76 -5.988354829e-02 -5.988354829e-02 5.78 -5.749366225e-02 -5.749366225e-02 5.80 -5.515011028e-02 -5.515011028e-02 5.82 -5.284876578e-02 -5.284876578e-02 5.84 -5.058611407e-02 -5.058611407e-02 5.86 -4.835928968e-02 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