# 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 = NiPbTi2 # 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 2.813482477e+02 2.813482477e+02 1.30 2.615549721e+02 2.615549721e+02 1.32 2.432024212e+02 2.432024212e+02 1.34 2.261756954e+02 2.261756954e+02 1.36 2.103688297e+02 2.103688297e+02 1.38 1.956852311e+02 1.956852311e+02 1.40 1.820378616e+02 1.820378616e+02 1.42 1.693484930e+02 1.693484930e+02 1.44 1.575462433e+02 1.575462433e+02 1.46 1.465659381e+02 1.465659381e+02 1.48 1.363468761e+02 1.363468761e+02 1.50 1.268323225e+02 1.268323225e+02 1.52 1.179695919e+02 1.179695919e+02 1.54 1.097102313e+02 1.097102313e+02 1.56 1.020098912e+02 1.020098912e+02 1.58 9.482782837e+01 9.482782837e+01 1.60 8.812637791e+01 8.812637791e+01 1.62 8.187076566e+01 8.187076566e+01 1.64 7.602916450e+01 7.602916450e+01 1.66 7.057266112e+01 7.057266112e+01 1.68 6.547497131e+01 6.547497131e+01 1.70 6.071207892e+01 6.071207892e+01 1.72 5.626190171e+01 5.626190171e+01 1.74 5.210395581e+01 5.210395581e+01 1.76 4.821900086e+01 4.821900086e+01 1.78 4.458905136e+01 4.458905136e+01 1.80 4.119858317e+01 4.119858317e+01 1.82 3.803621530e+01 3.803621530e+01 1.84 3.508649863e+01 3.508649863e+01 1.86 3.233500309e+01 3.233500309e+01 1.88 2.976854759e+01 2.976854759e+01 1.90 2.737495951e+01 2.737495951e+01 1.92 2.514286296e+01 2.514286296e+01 1.94 2.306154828e+01 2.306154828e+01 1.96 2.112091267e+01 2.112091267e+01 1.98 1.931144984e+01 1.931144984e+01 2.00 1.762424666e+01 1.762424666e+01 2.02 1.605096980e+01 1.605096980e+01 2.04 1.458384244e+01 1.458384244e+01 2.06 1.321563169e+01 1.321563169e+01 2.08 1.193965686e+01 1.193965686e+01 2.10 1.074980838e+01 1.074980838e+01 2.12 9.640544567e+00 9.640544567e+00 2.14 8.606846092e+00 8.606846092e+00 2.16 7.644137229e+00 7.644137229e+00 2.18 6.748194325e+00 6.748194325e+00 2.20 5.915057834e+00 5.915057834e+00 2.22 5.140962518e+00 5.140962518e+00 2.24 4.422287259e+00 4.422287259e+00 2.26 3.755528667e+00 3.755528667e+00 2.28 3.137292713e+00 3.137292713e+00 2.30 2.564307009e+00 2.564307009e+00 2.32 2.033428654e+00 2.033428654e+00 2.34 1.541665486e+00 1.541665486e+00 2.36 1.086192997e+00 1.086192997e+00 2.38 6.643787956e-01 6.643787956e-01 2.40 2.738024937e-01 2.738024937e-01 2.42 -8.773659159e-02 -8.773659159e-02 2.44 -4.222286413e-01 -4.222286413e-01 2.46 -7.314749881e-01 -7.314749881e-01 2.48 -1.017115738e+00 -1.017115738e+00 2.50 -1.280655841e+00 -1.280655841e+00 2.52 -1.523485395e+00 -1.523485395e+00 2.54 -1.746893237e+00 -1.746893237e+00 2.56 -1.952075553e+00 -1.952075553e+00 2.58 -2.140142615e+00 -2.140142615e+00 2.60 -2.312126489e+00 -2.312126489e+00 2.62 -2.468990464e+00 -2.468990464e+00 2.64 -2.611715441e+00 -2.611715441e+00 2.66 -2.741173473e+00 -2.741173473e+00 2.68 -2.858091422e+00 -2.858091422e+00 2.70 -2.963195366e+00 -2.963195366e+00 2.72 -3.057208058e+00 -3.057208058e+00 2.74 -3.140844713e+00 -3.140844713e+00 2.76 -3.214806220e+00 -3.214806220e+00 2.78 -3.279768639e+00 -3.279768639e+00 2.80 -3.336358943e+00 -3.336358943e+00 2.82 -3.385020465e+00 -3.385020465e+00 2.84 -3.426106308e+00 -3.426106308e+00 2.86 -3.459970658e+00 -3.459970658e+00 2.88 -3.486905023e+00 -3.486905023e+00 2.90 -3.507156258e+00 -3.507156258e+00 2.92 -3.520997292e+00 -3.520997292e+00 2.94 -3.528724501e+00 -3.528724501e+00 2.96 -3.530652511e+00 -3.530652511e+00 2.98 -3.527110461e+00 -3.527110461e+00 3.00 -3.518439707e+00 -3.518439707e+00 3.02 -3.504991932e+00 -3.504991932e+00 3.04 -3.487125475e+00 -3.487125475e+00 3.06 -3.465202089e+00 -3.465202089e+00 3.08 -3.439575902e+00 -3.439575902e+00 3.10 -3.410588176e+00 -3.410588176e+00 3.12 -3.378560028e+00 -3.378560028e+00 3.14 -3.343792437e+00 -3.343792437e+00 3.16 -3.306562101e+00 -3.306562101e+00 3.18 -3.267126652e+00 -3.267126652e+00 3.20 -3.225726133e+00 -3.225726133e+00 3.22 -3.182584469e+00 -3.182584469e+00 3.24 -3.137909757e+00 -3.137909757e+00 3.26 -3.091893714e+00 -3.091893714e+00 3.28 -3.044710929e+00 -3.044710929e+00 3.30 -2.996518495e+00 -2.996518495e+00 3.32 -2.947461532e+00 -2.947461532e+00 3.34 -2.897692086e+00 -2.897692086e+00 3.36 -2.847298577e+00 -2.847298577e+00 3.38 -2.796353677e+00 -2.796353677e+00 3.40 -2.744926215e+00 -2.744926215e+00 3.42 -2.693083690e+00 -2.693083690e+00 3.44 -2.640893701e+00 -2.640893701e+00 3.46 -2.588427095e+00 -2.588427095e+00 3.48 -2.535760222e+00 -2.535760222e+00 3.50 -2.482976339e+00 -2.482976339e+00 3.52 -2.430161261e+00 -2.430161261e+00 3.54 -2.377404141e+00 -2.377404141e+00 3.56 -2.324800099e+00 -2.324800099e+00 3.58 -2.272445593e+00 -2.272445593e+00 3.60 -2.220432902e+00 -2.220432902e+00 3.62 -2.168844942e+00 -2.168844942e+00 3.64 -2.117751495e+00 -2.117751495e+00 3.66 -2.067207566e+00 -2.067207566e+00 3.68 -2.017253946e+00 -2.017253946e+00 3.70 -1.967919552e+00 -1.967919552e+00 3.72 -1.919224776e+00 -1.919224776e+00 3.74 -1.871185080e+00 -1.871185080e+00 3.76 -1.823814234e+00 -1.823814234e+00 3.78 -1.777126852e+00 -1.777126852e+00 3.80 -1.731140112e+00 -1.731140112e+00 3.82 -1.685874644e+00 -1.685874644e+00 3.84 -1.641354677e+00 -1.641354677e+00 3.86 -1.597607497e+00 -1.597607497e+00 3.88 -1.554662327e+00 -1.554662327e+00 3.90 -1.512548735e+00 -1.512548735e+00 3.92 -1.471294386e+00 -1.471294386e+00 3.94 -1.430924684e+00 -1.430924684e+00 3.96 -1.391458563e+00 -1.391458563e+00 3.98 -1.352908920e+00 -1.352908920e+00 4.00 -1.315281405e+00 -1.315281405e+00 4.02 -1.278574268e+00 -1.278574268e+00 4.04 -1.242778738e+00 -1.242778738e+00 4.06 -1.207879795e+00 -1.207879795e+00 4.08 -1.173857173e+00 -1.173857173e+00 4.10 -1.140685172e+00 -1.140685172e+00 4.12 -1.108339024e+00 -1.108339024e+00 4.14 -1.076787474e+00 -1.076787474e+00 4.16 -1.045999475e+00 -1.045999475e+00 4.18 -1.015943339e+00 -1.015943339e+00 4.20 -9.865873499e-01 -9.865873499e-01 4.22 -9.579003343e-01 -9.579003343e-01 4.24 -9.298522176e-01 -9.298522176e-01 4.26 -9.024146004e-01 -9.024146004e-01 4.28 -8.755613712e-01 -8.755613712e-01 4.30 -8.492693549e-01 -8.492693549e-01 4.32 -8.235189773e-01 -8.235189773e-01 4.34 -7.982949048e-01 -7.982949048e-01 4.36 -7.735865960e-01 -7.735865960e-01 4.38 -7.493886920e-01 -7.493886920e-01 4.40 -7.257011587e-01 -7.257011587e-01 4.42 -7.025291078e-01 -7.025291078e-01 4.44 -6.798822413e-01 -6.798822413e-01 4.46 -6.577739069e-01 -6.577739069e-01 4.48 -6.362198031e-01 -6.362198031e-01 4.50 -6.152364279e-01 -6.152364279e-01 4.52 -5.948394143e-01 -5.948394143e-01 4.54 -5.750419205e-01 -5.750419205e-01 4.56 -5.558532431e-01 -5.558532431e-01 4.58 -5.372777879e-01 -5.372777879e-01 4.60 -5.193144810e-01 -5.193144810e-01 4.62 -5.019566368e-01 -5.019566368e-01 4.64 -4.851922412e-01 -4.851922412e-01 4.66 -4.690045638e-01 -4.690045638e-01 4.68 -4.533729916e-01 -4.533729916e-01 4.70 -4.382739756e-01 -4.382739756e-01 4.72 -4.236819973e-01 -4.236819973e-01 4.74 -4.095704855e-01 -4.095704855e-01 4.76 -3.959126446e-01 -3.959126446e-01 4.78 -3.826821736e-01 -3.826821736e-01 4.80 -3.698530801e-01 -3.698530801e-01 4.82 -3.574035099e-01 -3.574035099e-01 4.84 -3.453109912e-01 -3.453109912e-01 4.86 -3.335564026e-01 -3.335564026e-01 4.88 -3.221233084e-01 -3.221233084e-01 4.90 -3.109981683e-01 -3.109981683e-01 4.92 -3.001704556e-01 -3.001704556e-01 4.94 -2.896326668e-01 -2.896326668e-01 4.96 -2.793801961e-01 -2.793801961e-01 4.98 -2.694110613e-01 -2.694110613e-01 5.00 -2.597254718e-01 -2.597254718e-01 5.02 -2.503252539e-01 -2.503252539e-01 5.04 -2.412131672e-01 -2.412131672e-01 5.06 -2.323921662e-01 -2.323921662e-01 5.08 -2.238646754e-01 -2.238646754e-01 5.10 -2.156319483e-01 -2.156319483e-01 5.12 -2.076935703e-01 -2.076935703e-01 5.14 -2.000471456e-01 -2.000471456e-01 5.16 -1.926881799e-01 -1.926881799e-01 5.18 -1.856101450e-01 -1.856101450e-01 5.20 -1.788046884e-01 -1.788046884e-01 5.22 -1.722619394e-01 -1.722619394e-01 5.24 -1.659708598e-01 -1.659708598e-01 5.26 -1.599195927e-01 -1.599195927e-01 5.28 -1.540957753e-01 -1.540957753e-01 5.30 -1.484867947e-01 -1.484867947e-01 5.32 -1.430799799e-01 -1.430799799e-01 5.34 -1.378627320e-01 -1.378627320e-01 5.36 -1.328226056e-01 -1.328226056e-01 5.38 -1.279473537e-01 -1.279473537e-01 5.40 -1.232249543e-01 -1.232249543e-01 5.42 -1.186436315e-01 -1.186436315e-01 5.44 -1.141918827e-01 -1.141918827e-01 5.46 -1.098585217e-01 -1.098585217e-01 5.48 -1.056327417e-01 -1.056327417e-01 5.50 -1.015042021e-01 -1.015042021e-01 5.52 -9.746313824e-02 -9.746313824e-02 5.54 -9.350049456e-02 -9.350049456e-02 5.56 -8.960807644e-02 -8.960807644e-02 5.58 -8.577871726e-02 -8.577871726e-02 5.60 -8.200645346e-02 -8.200645346e-02 5.62 -7.828669901e-02 -7.828669901e-02 5.64 -7.461640741e-02 -7.461640741e-02 5.66 -7.099420833e-02 -7.099420833e-02 5.68 -6.742050056e-02 -6.742050056e-02 5.70 -6.389748866e-02 -6.389748866e-02 5.72 -6.042914559e-02 -6.042914559e-02 5.74 -5.702108949e-02 -5.702108949e-02 5.76 -5.368036880e-02 -5.368036880e-02 5.78 -5.041515933e-02 -5.041515933e-02 5.80 -4.723438250e-02 -4.723438250e-02 5.82 -4.414726804e-02 -4.414726804e-02 5.84 -4.116289364e-02 -4.116289364e-02 5.86 -3.828973456e-02 -3.828973456e-02 5.88 -3.553525931e-02 -3.553525931e-02 5.90 -3.290560289e-02 -3.290560289e-02 5.92 -3.040515976e-02 -3.040515976e-02 5.94 -2.803633052e-02 -2.803633052e-02 5.96 -2.580056124e-02 -2.580056124e-02 5.98 -2.369776887e-02 -2.369776887e-02 6.00 -2.172636510e-02 -2.172636510e-02