# 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 = AgAuCo2 # 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 2.194454059e+02 2.194454059e+02 1.30 2.023940446e+02 2.023940446e+02 1.32 1.866563261e+02 1.866563261e+02 1.34 1.721241751e+02 1.721241751e+02 1.36 1.586991580e+02 1.586991580e+02 1.38 1.462915721e+02 1.462915721e+02 1.40 1.348196984e+02 1.348196984e+02 1.42 1.242090503e+02 1.242090503e+02 1.44 1.143916099e+02 1.143916099e+02 1.46 1.053052265e+02 1.053052265e+02 1.48 9.689310050e+01 9.689310050e+01 1.50 8.910317878e+01 8.910317878e+01 1.52 8.188757918e+01 8.188757918e+01 1.54 7.520219698e+01 7.520219698e+01 1.56 6.900643075e+01 6.900643075e+01 1.58 6.326292203e+01 6.326292203e+01 1.60 5.793728594e+01 5.793728594e+01 1.62 5.299785772e+01 5.299785772e+01 1.64 4.841547202e+01 4.841547202e+01 1.66 4.417166438e+01 4.417166438e+01 1.68 4.024919808e+01 4.024919808e+01 1.70 3.662591824e+01 3.662591824e+01 1.72 3.327903889e+01 3.327903889e+01 1.74 3.018754157e+01 3.018754157e+01 1.76 2.733214601e+01 2.733214601e+01 1.78 2.469516336e+01 2.469516336e+01 1.80 2.226037439e+01 2.226037439e+01 1.82 2.001292423e+01 2.001292423e+01 1.84 1.793920337e+01 1.793920337e+01 1.86 1.602670947e+01 1.602670947e+01 1.88 1.426390158e+01 1.426390158e+01 1.90 1.264005747e+01 1.264005747e+01 1.92 1.114514918e+01 1.114514918e+01 1.94 9.769755281e+00 9.769755281e+00 1.96 8.505015605e+00 8.505015605e+00 1.98 7.342613702e+00 7.342613702e+00 2.00 6.274770912e+00 6.274770912e+00 2.02 5.294249848e+00 5.294249848e+00 2.04 4.394363633e+00 4.394363633e+00 2.06 3.568973587e+00 3.568973587e+00 2.08 2.812459806e+00 2.812459806e+00 2.10 2.119667387e+00 2.119667387e+00 2.12 1.485844941e+00 1.485844941e+00 2.14 9.065920881e-01 9.065920881e-01 2.16 3.778247415e-01 3.778247415e-01 2.18 -1.042420773e-01 -1.042420773e-01 2.20 -5.431013295e-01 -5.431013295e-01 2.22 -9.419611027e-01 -9.419611027e-01 2.24 -1.303758844e+00 -1.303758844e+00 2.26 -1.631183652e+00 -1.631183652e+00 2.28 -1.926703220e+00 -1.926703220e+00 2.30 -2.192591095e+00 -2.192591095e+00 2.32 -2.430951195e+00 -2.430951195e+00 2.34 -2.643738250e+00 -2.643738250e+00 2.36 -2.832774337e+00 -2.832774337e+00 2.38 -2.999762566e+00 -2.999762566e+00 2.40 -3.146299314e+00 -3.146299314e+00 2.42 -3.273886111e+00 -3.273886111e+00 2.44 -3.383941431e+00 -3.383941431e+00 2.46 -3.477811757e+00 -3.477811757e+00 2.48 -3.556856588e+00 -3.556856588e+00 2.50 -3.622295872e+00 -3.622295872e+00 2.52 -3.675199230e+00 -3.675199230e+00 2.54 -3.716620285e+00 -3.716620285e+00 2.56 -3.747613009e+00 -3.747613009e+00 2.58 -3.769291368e+00 -3.769291368e+00 2.60 -3.782589749e+00 -3.782589749e+00 2.62 -3.788388513e+00 -3.788388513e+00 2.64 -3.787425249e+00 -3.787425249e+00 2.66 -3.780294926e+00 -3.780294926e+00 2.68 -3.767533612e+00 -3.767533612e+00 2.70 -3.749606960e+00 -3.749606960e+00 2.72 -3.726908236e+00 -3.726908236e+00 2.74 -3.699766325e+00 -3.699766325e+00 2.76 -3.668547213e+00 -3.668547213e+00 2.78 -3.633523935e+00 -3.633523935e+00 2.80 -3.594829067e+00 -3.594829067e+00 2.82 -3.552615787e+00 -3.552615787e+00 2.84 -3.507055386e+00 -3.507055386e+00 2.86 -3.458333657e+00 -3.458333657e+00 2.88 -3.406647814e+00 -3.406647814e+00 2.90 -3.352204946e+00 -3.352204946e+00 2.92 -3.295227149e+00 -3.295227149e+00 2.94 -3.235955110e+00 -3.235955110e+00 2.96 -3.174644718e+00 -3.174644718e+00 2.98 -3.111571685e+00 -3.111571685e+00 3.00 -3.047035314e+00 -3.047035314e+00 3.02 -2.981358396e+00 -2.981358396e+00 3.04 -2.914881282e+00 -2.914881282e+00 3.06 -2.847949603e+00 -2.847949603e+00 3.08 -2.780897254e+00 -2.780897254e+00 3.10 -2.714028269e+00 -2.714028269e+00 3.12 -2.647601778e+00 -2.647601778e+00 3.14 -2.581823330e+00 -2.581823330e+00 3.16 -2.516843666e+00 -2.516843666e+00 3.18 -2.452763944e+00 -2.452763944e+00 3.20 -2.389645066e+00 -2.389645066e+00 3.22 -2.327518526e+00 -2.327518526e+00 3.24 -2.266396737e+00 -2.266396737e+00 3.26 -2.206281602e+00 -2.206281602e+00 3.28 -2.147170859e+00 -2.147170859e+00 3.30 -2.089062282e+00 -2.089062282e+00 3.32 -2.031956072e+00 -2.031956072e+00 3.34 -1.975855887e+00 -1.975855887e+00 3.36 -1.920768930e+00 -1.920768930e+00 3.38 -1.866705442e+00 -1.866705442e+00 3.40 -1.813677853e+00 -1.813677853e+00 3.42 -1.761699784e+00 -1.761699784e+00 3.44 -1.710785011e+00 -1.710785011e+00 3.46 -1.660946471e+00 -1.660946471e+00 3.48 -1.612195377e+00 -1.612195377e+00 3.50 -1.564540448e+00 -1.564540448e+00 3.52 -1.517987292e+00 -1.517987292e+00 3.54 -1.472537942e+00 -1.472537942e+00 3.56 -1.428190556e+00 -1.428190556e+00 3.58 -1.384939273e+00 -1.384939273e+00 3.60 -1.342774236e+00 -1.342774236e+00 3.62 -1.301681764e+00 -1.301681764e+00 3.64 -1.261644681e+00 -1.261644681e+00 3.66 -1.222642776e+00 -1.222642776e+00 3.68 -1.184653373e+00 -1.184653373e+00 3.70 -1.147651978e+00 -1.147651978e+00 3.72 -1.111612948e+00 -1.111612948e+00 3.74 -1.076510147e+00 -1.076510147e+00 3.76 -1.042317520e+00 -1.042317520e+00 3.78 -1.009009556e+00 -1.009009556e+00 3.80 -9.765616038e-01 -9.765616038e-01 3.82 -9.449500331e-01 -9.449500331e-01 3.84 -9.141522545e-01 -9.141522545e-01 3.86 -8.841466107e-01 -8.841466107e-01 3.88 -8.549121786e-01 -8.549121786e-01 3.90 -8.264285149e-01 -8.264285149e-01 3.92 -7.986753800e-01 -7.986753800e-01 3.94 -7.716324769e-01 -7.716324769e-01 3.96 -7.452792227e-01 -7.452792227e-01 3.98 -7.195945932e-01 -7.195945932e-01 4.00 -6.945570510e-01 -6.945570510e-01 4.02 -6.701445833e-01 -6.701445833e-01 4.04 -6.463348685e-01 -6.463348685e-01 4.06 -6.231055878e-01 -6.231055878e-01 4.08 -6.004348943e-01 -6.004348943e-01 4.10 -5.783020424e-01 -5.783020424e-01 4.12 -5.566881794e-01 -5.566881794e-01 4.14 -5.355772419e-01 -5.355772419e-01 4.16 -5.149569417e-01 -5.149569417e-01 4.18 -4.948197227e-01 -4.948197227e-01 4.20 -4.751635825e-01 -4.751635825e-01 4.22 -4.559926132e-01 -4.559926132e-01 4.24 -4.373171072e-01 -4.373171072e-01 4.26 -4.191531002e-01 -4.191531002e-01 4.28 -4.015212786e-01 -4.015212786e-01 4.30 -3.844452708e-01 -3.844452708e-01 4.32 -3.679494502e-01 -3.679494502e-01 4.34 -3.520564811e-01 -3.520564811e-01 4.36 -3.367848997e-01 -3.367848997e-01 4.38 -3.221470316e-01 -3.221470316e-01 4.40 -3.081474886e-01 -3.081474886e-01 4.42 -2.947823847e-01 -2.947823847e-01 4.44 -2.820392897e-01 -2.820392897e-01 4.46 -2.698978302e-01 -2.698978302e-01 4.48 -2.583307755e-01 -2.583307755e-01 4.50 -2.473054128e-01 -2.473054128e-01 4.52 -2.367850274e-01 -2.367850274e-01 4.54 -2.267303377e-01 -2.267303377e-01 4.56 -2.171007806e-01 -2.171007806e-01 4.58 -2.078555961e-01 -2.078555961e-01 4.60 -1.989546940e-01 -1.989546940e-01 4.62 -1.903593239e-01 -1.903593239e-01 4.64 -1.820325814e-01 -1.820325814e-01 4.66 -1.739397986e-01 -1.739397986e-01 4.68 -1.660488659e-01 -1.660488659e-01 4.70 -1.583305280e-01 -1.583305280e-01 4.72 -1.507586919e-01 -1.507586919e-01 4.74 -1.433107706e-01 -1.433107706e-01 4.76 -1.359680754e-01 -1.359680754e-01 4.78 -1.287162526e-01 -1.287162526e-01 4.80 -1.215457425e-01 -1.215457425e-01 4.82 -1.144522283e-01 -1.144522283e-01 4.84 -1.074370000e-01 -1.074370000e-01 4.86 -1.005071886e-01 -1.005071886e-01 4.88 -9.367577248e-02 -9.367577248e-02 4.90 -8.696129505e-02 -8.696129505e-02 4.92 -8.038723686e-02 -8.038723686e-02 4.94 -7.398102465e-02 -7.398102465e-02 4.96 -6.777270330e-02 -6.777270330e-02 4.98 -6.179334592e-02 -6.179334592e-02 5.00 -5.607332458e-02 -5.607332458e-02 5.02 -5.064059544e-02 -5.064059544e-02 5.04 -4.551915282e-02 -4.551915282e-02 5.06 -4.072779268e-02 -4.072779268e-02 5.08 -3.627904971e-02 -3.627904971e-02 5.10 -3.217907334e-02 -3.217907334e-02 5.12 -2.842819959e-02 -2.842819959e-02 5.14 -2.502074059e-02 -2.502074059e-02 5.16 -2.194574049e-02 -2.194574049e-02 5.18 -1.918792784e-02 -1.918792784e-02 5.20 -1.672868764e-02 -1.672868764e-02 5.22 -1.454695099e-02 -1.454695099e-02 5.24 -1.262074300e-02 -1.262074300e-02 5.26 -1.092756586e-02 -1.092756586e-02 5.28 -9.445032323e-03 -9.445032323e-03 5.30 -8.151421790e-03 -8.151421790e-03 5.32 -7.026088088e-03 -7.026088088e-03 5.34 -6.049735288e-03 -6.049735288e-03 5.36 -5.204582070e-03 -5.204582070e-03 5.38 -4.474436283e-03 -4.474436283e-03 5.40 -3.844700425e-03 -3.844700425e-03 5.42 -3.302326544e-03 -3.302326544e-03 5.44 -2.835736307e-03 -2.835736307e-03 5.46 -2.434719006e-03 -2.434719006e-03 5.48 -2.090317504e-03 -2.090317504e-03 5.50 -1.794709640e-03 -1.794709640e-03 5.52 -1.541090512e-03 -1.541090512e-03 5.54 -1.323559365e-03 -1.323559365e-03 5.56 -1.137013459e-03 -1.137013459e-03 5.58 -9.770502941e-04 -9.770502941e-04 5.60 -8.398788092e-04 -8.398788092e-04 5.62 -7.222396568e-04 -7.222396568e-04 5.64 -6.213342784e-04 -6.213342784e-04 5.66 -5.347622914e-04 -5.347622914e-04 5.68 -4.604665571e-04 -4.604665571e-04 5.70 -3.966852370e-04 -3.966852370e-04 5.72 -3.419101276e-04 -3.419101276e-04 5.74 -2.948505821e-04 -2.948505821e-04 5.76 -2.544023610e-04 -2.544023610e-04 5.78 -2.196208060e-04 -2.196208060e-04 5.80 -1.896977841e-04 -1.896977841e-04 5.82 -1.639419045e-04 -1.639419045e-04 5.84 -1.417615677e-04 -1.417615677e-04 5.86 -1.226504563e-04 -1.226504563e-04 5.88 -1.061751277e-04 -1.061751277e-04 5.90 -9.196441065e-05 -9.196441065e-05 5.92 -7.970034777e-05 -7.970034777e-05 5.94 -6.911046224e-05 -6.911046224e-05 5.96 -5.996115570e-05 -5.996115570e-05 5.98 -5.205207306e-05 -5.205207306e-05 6.00 -4.521129269e-05 -4.521129269e-05