# 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 = AgAu2Pd # 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 3.439096227e+02 3.439096227e+02 1.30 3.190270743e+02 3.190270743e+02 1.32 2.959645380e+02 2.959645380e+02 1.34 2.745770952e+02 2.745770952e+02 1.36 2.547319162e+02 2.547319162e+02 1.38 2.363069441e+02 2.363069441e+02 1.40 2.191907295e+02 2.191907295e+02 1.42 2.032823600e+02 2.032823600e+02 1.44 1.884908527e+02 1.884908527e+02 1.46 1.747339460e+02 1.747339460e+02 1.48 1.619364258e+02 1.619364258e+02 1.50 1.500284070e+02 1.500284070e+02 1.52 1.389442265e+02 1.389442265e+02 1.54 1.286222071e+02 1.286222071e+02 1.56 1.190049071e+02 1.190049071e+02 1.58 1.100393605e+02 1.100393605e+02 1.60 1.016770740e+02 1.016770740e+02 1.62 9.387377479e+01 9.387377479e+01 1.64 8.658901796e+01 8.658901796e+01 1.66 7.978580487e+01 7.978580487e+01 1.68 7.343024399e+01 7.343024399e+01 1.70 6.749167908e+01 6.749167908e+01 1.72 6.196032372e+01 6.196032372e+01 1.74 5.682190727e+01 5.682190727e+01 1.76 5.206164567e+01 5.206164567e+01 1.78 4.765240800e+01 4.765240800e+01 1.80 4.356807477e+01 4.356807477e+01 1.82 3.978448039e+01 3.978448039e+01 1.84 3.627932797e+01 3.627932797e+01 1.86 3.303217658e+01 3.303217658e+01 1.88 3.002443759e+01 3.002443759e+01 1.90 2.723929804e+01 2.723929804e+01 1.92 2.466152534e+01 2.466152534e+01 1.94 2.227717202e+01 2.227717202e+01 1.96 2.007325604e+01 2.007325604e+01 1.98 1.803750450e+01 1.803750450e+01 2.00 1.615821153e+01 1.615821153e+01 2.02 1.442420514e+01 1.442420514e+01 2.04 1.282488035e+01 1.282488035e+01 2.06 1.135025132e+01 1.135025132e+01 2.08 9.990990866e+00 9.990990866e+00 2.10 8.738445067e+00 8.738445067e+00 2.12 7.584623395e+00 7.584623395e+00 2.14 6.522169953e+00 6.522169953e+00 2.16 5.544322612e+00 5.544322612e+00 2.18 4.644866714e+00 4.644866714e+00 2.20 3.818089334e+00 3.818089334e+00 2.22 3.058737963e+00 3.058737963e+00 2.24 2.361984199e+00 2.361984199e+00 2.26 1.723390400e+00 1.723390400e+00 2.28 1.138876673e+00 1.138876673e+00 2.30 6.046866964e-01 6.046866964e-01 2.32 1.173525823e-01 1.173525823e-01 2.34 -3.263396741e-01 -3.263396741e-01 2.36 -7.293819223e-01 -7.293819223e-01 2.38 -1.094570670e+00 -1.094570670e+00 2.40 -1.424528109e+00 -1.424528109e+00 2.42 -1.721718391e+00 -1.721718391e+00 2.44 -1.988461729e+00 -1.988461729e+00 2.46 -2.226948915e+00 -2.226948915e+00 2.48 -2.439256916e+00 -2.439256916e+00 2.50 -2.627363771e+00 -2.627363771e+00 2.52 -2.793159938e+00 -2.793159938e+00 2.54 -2.938454275e+00 -2.938454275e+00 2.56 -3.064974934e+00 -3.064974934e+00 2.58 -3.174366393e+00 -3.174366393e+00 2.60 -3.268183152e+00 -3.268183152e+00 2.62 -3.347879662e+00 -3.347879662e+00 2.64 -3.414796871e+00 -3.414796871e+00 2.66 -3.470249640e+00 -3.470249640e+00 2.68 -3.515536523e+00 -3.515536523e+00 2.70 -3.551624568e+00 -3.551624568e+00 2.72 -3.579000499e+00 -3.579000499e+00 2.74 -3.598118031e+00 -3.598118031e+00 2.76 -3.609409219e+00 -3.609409219e+00 2.78 -3.613290713e+00 -3.613290713e+00 2.80 -3.610170456e+00 -3.610170456e+00 2.82 -3.600449395e+00 -3.600449395e+00 2.84 -3.584532469e+00 -3.584532469e+00 2.86 -3.562868687e+00 -3.562868687e+00 2.88 -3.535924510e+00 -3.535924510e+00 2.90 -3.504249463e+00 -3.504249463e+00 2.92 -3.468231775e+00 -3.468231775e+00 2.94 -3.428231757e+00 -3.428231757e+00 2.96 -3.384623746e+00 -3.384623746e+00 2.98 -3.337789485e+00 -3.337789485e+00 3.00 -3.288112795e+00 -3.288112795e+00 3.02 -3.235975520e+00 -3.235975520e+00 3.04 -3.181753980e+00 -3.181753980e+00 3.06 -3.125818622e+00 -3.125818622e+00 3.08 -3.068528542e+00 -3.068528542e+00 3.10 -3.010216909e+00 -3.010216909e+00 3.12 -2.951182727e+00 -2.951182727e+00 3.14 -2.891684798e+00 -2.891684798e+00 3.16 -2.831938873e+00 -2.831938873e+00 3.18 -2.772118636e+00 -2.772118636e+00 3.20 -2.712360031e+00 -2.712360031e+00 3.22 -2.652767782e+00 -2.652767782e+00 3.24 -2.593422736e+00 -2.593422736e+00 3.26 -2.534388908e+00 -2.534388908e+00 3.28 -2.475719499e+00 -2.475719499e+00 3.30 -2.417461596e+00 -2.417461596e+00 3.32 -2.359659548e+00 -2.359659548e+00 3.34 -2.302357144e+00 -2.302357144e+00 3.36 -2.245598824e+00 -2.245598824e+00 3.38 -2.189430122e+00 -2.189430122e+00 3.40 -2.133897526e+00 -2.133897526e+00 3.42 -2.079047931e+00 -2.079047931e+00 3.44 -2.024927816e+00 -2.024927816e+00 3.46 -1.971582296e+00 -1.971582296e+00 3.48 -1.919054120e+00 -1.919054120e+00 3.50 -1.867382741e+00 -1.867382741e+00 3.52 -1.816603484e+00 -1.816603484e+00 3.54 -1.766746864e+00 -1.766746864e+00 3.56 -1.717838075e+00 -1.717838075e+00 3.58 -1.669896636e+00 -1.669896636e+00 3.60 -1.622936198e+00 -1.622936198e+00 3.62 -1.576964497e+00 -1.576964497e+00 3.64 -1.531983432e+00 -1.531983432e+00 3.66 -1.487989276e+00 -1.487989276e+00 3.68 -1.444972999e+00 -1.444972999e+00 3.70 -1.402920697e+00 -1.402920697e+00 3.72 -1.361814144e+00 -1.361814144e+00 3.74 -1.321631425e+00 -1.321631425e+00 3.76 -1.282347659e+00 -1.282347659e+00 3.78 -1.243935779e+00 -1.243935779e+00 3.80 -1.206367331e+00 -1.206367331e+00 3.82 -1.169613267e+00 -1.169613267e+00 3.84 -1.133644689e+00 -1.133644689e+00 3.86 -1.098433502e+00 -1.098433502e+00 3.88 -1.063952979e+00 -1.063952979e+00 3.90 -1.030178203e+00 -1.030178203e+00 3.92 -9.970864046e-01 -9.970864046e-01 3.94 -9.646572263e-01 -9.646572263e-01 3.96 -9.328729116e-01 -9.328729116e-01 3.98 -9.017184733e-01 -9.017184733e-01 4.00 -8.711818391e-01 -8.711818391e-01 4.02 -8.412539846e-01 -8.412539846e-01 4.04 -8.119290355e-01 -8.119290355e-01 4.06 -7.832043118e-01 -7.832043118e-01 4.08 -7.550802772e-01 -7.550802772e-01 4.10 -7.275603625e-01 -7.275603625e-01 4.12 -7.006506675e-01 -7.006506675e-01 4.14 -6.743595151e-01 -6.743595151e-01 4.16 -6.486969600e-01 -6.486969600e-01 4.18 -6.236742621e-01 -6.236742621e-01 4.20 -5.993034023e-01 -5.993034023e-01 4.22 -5.755966642e-01 -5.755966642e-01 4.24 -5.525662728e-01 -5.525662728e-01 4.26 -5.302240407e-01 -5.302240407e-01 4.28 -5.085809438e-01 -5.085809438e-01 4.30 -4.876465551e-01 -4.876465551e-01 4.32 -4.674282953e-01 -4.674282953e-01 4.34 -4.479305206e-01 -4.479305206e-01 4.36 -4.291535234e-01 -4.291535234e-01 4.38 -4.110925773e-01 -4.110925773e-01 4.40 -3.937371706e-01 -3.937371706e-01 4.42 -3.770705600e-01 -3.770705600e-01 4.44 -3.610697301e-01 -3.610697301e-01 4.46 -3.457057818e-01 -3.457057818e-01 4.48 -3.309447110e-01 -3.309447110e-01 4.50 -3.167484947e-01 -3.167484947e-01 4.52 -3.030763727e-01 -3.030763727e-01 4.54 -2.898862131e-01 -2.898862131e-01 4.56 -2.771358611e-01 -2.771358611e-01 4.58 -2.647843951e-01 -2.647843951e-01 4.60 -2.527932386e-01 -2.527932386e-01 4.62 -2.411270956e-01 -2.411270956e-01 4.64 -2.297546954e-01 -2.297546954e-01 4.66 -2.186493405e-01 -2.186493405e-01 4.68 -2.077892567e-01 -2.077892567e-01 4.70 -1.971577495e-01 -1.971577495e-01 4.72 -1.867431758e-01 -1.867431758e-01 4.74 -1.765387470e-01 -1.765387470e-01 4.76 -1.665421912e-01 -1.665421912e-01 4.78 -1.567553092e-01 -1.567553092e-01 4.80 -1.471834683e-01 -1.471834683e-01 4.82 -1.378350876e-01 -1.378350876e-01 4.84 -1.287211291e-01 -1.287211291e-01 4.86 -1.198546527e-01 -1.198546527e-01 4.88 -1.112504115e-01 -1.112504115e-01 4.90 -1.029244811e-01 -1.029244811e-01 4.92 -9.489388511e-02 -9.489388511e-02 4.94 -8.717617581e-02 -8.717617581e-02 4.96 -7.978893291e-02 -7.978893291e-02 4.98 -7.274916167e-02 -7.274916167e-02 5.00 -6.607259728e-02 -6.607259728e-02 5.02 -5.977295165e-02 -5.977295165e-02 5.04 -5.386115535e-02 -5.386115535e-02 5.06 -4.834467306e-02 -4.834467306e-02 5.08 -4.322696652e-02 -4.322696652e-02 5.10 -3.850715491e-02 -3.850715491e-02 5.12 -3.417991309e-02 -3.417991309e-02 5.14 -3.023530695e-02 -3.023530695e-02 5.16 -2.665976584e-02 -2.665976584e-02 5.18 -2.343653346e-02 -2.343653346e-02 5.20 -2.054598691e-02 -2.054598691e-02 5.22 -1.796611875e-02 -1.796611875e-02 5.24 -1.567403997e-02 -1.567403997e-02 5.26 -1.364629220e-02 -1.364629220e-02 5.28 -1.185931333e-02 -1.185931333e-02 5.30 -1.028999171e-02 -1.028999171e-02 5.32 -8.916101254e-03 -8.916101254e-03 5.34 -7.716621164e-03 -7.716621164e-03 5.36 -6.671951035e-03 -6.671951035e-03 5.38 -5.764035902e-03 -5.764035902e-03 5.40 -4.976417401e-03 -4.976417401e-03 5.42 -4.294227114e-03 -4.294227114e-03 5.44 -3.704136896e-03 -3.704136896e-03 5.46 -3.194279069e-03 -3.194279069e-03 5.48 -2.754147210e-03 -2.754147210e-03 5.50 -2.374486129e-03 -2.374486129e-03 5.52 -2.047177591e-03 -2.047177591e-03 5.54 -1.765126675e-03 -1.765126675e-03 5.56 -1.522152149e-03 -1.522152149e-03 5.58 -1.312883129e-03 -1.312883129e-03 5.60 -1.132663367e-03 -1.132663367e-03 5.62 -9.774638308e-04 -9.774638308e-04 5.64 -8.438037562e-04 -8.438037562e-04 5.66 -7.286800030e-04 -7.286800030e-04 5.68 -6.295043139e-04 -6.295043139e-04 5.70 -5.440479442e-04 -5.440479442e-04 5.72 -4.703930492e-04 -4.703930492e-04 5.74 -4.068901920e-04 -4.068901920e-04 5.76 -3.521213344e-04 -3.521213344e-04 5.78 -3.048677035e-04 -3.048677035e-04 5.80 -2.640819623e-04 -2.640819623e-04 5.82 -2.288641596e-04 -2.288641596e-04 5.84 -1.984409813e-04 -1.984409813e-04 5.86 -1.721478774e-04 -1.721478774e-04 5.88 -1.494136836e-04 -1.494136836e-04 5.90 -1.297474026e-04 -1.297474026e-04 5.92 -1.127268500e-04 -1.127268500e-04 5.94 -9.798890759e-05 -9.798890759e-05 5.96 -8.522116089e-05 -8.522116089e-05 5.98 -7.415472550e-05 -7.415472550e-05 6.00 -6.455809563e-05 -6.455809563e-05