# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1990--Ackland-G-J-Vitek-V--Cu-Ag-Au # implementation = 1990--Ackland-G-J--Cu-Ag-Au--LAMMPS--ipr1 # composition = AgAuCu2 # 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 2023-05-12 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 1.937693364e+02 1.937693364e+02 0.92 1.795580077e+02 1.795580077e+02 0.94 1.665545698e+02 1.665545698e+02 0.96 1.545999505e+02 1.545999505e+02 0.98 1.436010247e+02 1.436010247e+02 1.00 1.334639237e+02 1.334639237e+02 1.02 1.241142193e+02 1.241142193e+02 1.04 1.154529154e+02 1.154529154e+02 1.06 1.073988925e+02 1.073988925e+02 1.08 9.989113284e+01 9.989113284e+01 1.10 9.293028909e+01 9.293028909e+01 1.12 8.649929609e+01 8.649929609e+01 1.14 8.055190443e+01 8.055190443e+01 1.16 7.503490687e+01 7.503490687e+01 1.18 6.990016791e+01 6.990016791e+01 1.20 6.512838420e+01 6.512838420e+01 1.22 6.067935599e+01 6.067935599e+01 1.24 5.651568004e+01 5.651568004e+01 1.26 5.262042789e+01 5.262042789e+01 1.28 4.898094143e+01 4.898094143e+01 1.30 4.558495868e+01 4.558495868e+01 1.32 4.242369520e+01 4.242369520e+01 1.34 3.947999046e+01 3.947999046e+01 1.36 3.673233506e+01 3.673233506e+01 1.38 3.415877084e+01 3.415877084e+01 1.40 3.174588692e+01 3.174588692e+01 1.42 2.948541292e+01 2.948541292e+01 1.44 2.737563641e+01 2.737563641e+01 1.46 2.541595106e+01 2.541595106e+01 1.48 2.359548056e+01 2.359548056e+01 1.50 2.190250812e+01 2.190250812e+01 1.52 2.032947512e+01 2.032947512e+01 1.54 1.886918852e+01 1.886918852e+01 1.56 1.751156980e+01 1.751156980e+01 1.58 1.623886317e+01 1.623886317e+01 1.60 1.503747276e+01 1.503747276e+01 1.62 1.389691388e+01 1.389691388e+01 1.64 1.281329015e+01 1.281329015e+01 1.66 1.179338702e+01 1.179338702e+01 1.68 1.084518049e+01 1.084518049e+01 1.70 9.969146598e+00 9.969146598e+00 1.72 9.154183789e+00 9.154183789e+00 1.74 8.388376990e+00 8.388376990e+00 1.76 7.664785891e+00 7.664785891e+00 1.78 6.978018055e+00 6.978018055e+00 1.80 6.325195519e+00 6.325195519e+00 1.82 5.704587431e+00 5.704587431e+00 1.84 5.115121840e+00 5.115121840e+00 1.86 4.556125580e+00 4.556125580e+00 1.88 4.026807374e+00 4.026807374e+00 1.90 3.526017202e+00 3.526017202e+00 1.92 3.051195835e+00 3.051195835e+00 1.94 2.599638957e+00 2.599638957e+00 1.96 2.169718024e+00 2.169718024e+00 1.98 1.760013402e+00 1.760013402e+00 2.00 1.369590541e+00 1.369590541e+00 2.02 9.985115970e-01 9.985115970e-01 2.04 6.469945338e-01 6.469945338e-01 2.06 3.150139567e-01 3.150139567e-01 2.08 1.447126882e-03 1.447126882e-03 2.10 -2.950736393e-01 -2.950736393e-01 2.12 -5.753489628e-01 -5.753489628e-01 2.14 -8.397130679e-01 -8.397130679e-01 2.16 -1.088283154e+00 -1.088283154e+00 2.18 -1.321134228e+00 -1.321134228e+00 2.20 -1.538584898e+00 -1.538584898e+00 2.22 -1.741695356e+00 -1.741695356e+00 2.24 -1.931266924e+00 -1.931266924e+00 2.26 -2.107516434e+00 -2.107516434e+00 2.28 -2.270685819e+00 -2.270685819e+00 2.30 -2.421092407e+00 -2.421092407e+00 2.32 -2.559073088e+00 -2.559073088e+00 2.34 -2.684731649e+00 -2.684731649e+00 2.36 -2.798405055e+00 -2.798405055e+00 2.38 -2.900631365e+00 -2.900631365e+00 2.40 -2.991946514e+00 -2.991946514e+00 2.42 -3.072883757e+00 -3.072883757e+00 2.44 -3.143973394e+00 -3.143973394e+00 2.46 -3.205742465e+00 -3.205742465e+00 2.48 -3.258714426e+00 -3.258714426e+00 2.50 -3.303408820e+00 -3.303408820e+00 2.52 -3.340373552e+00 -3.340373552e+00 2.54 -3.370262170e+00 -3.370262170e+00 2.56 -3.393749416e+00 -3.393749416e+00 2.58 -3.411260698e+00 -3.411260698e+00 2.60 -3.422761820e+00 -3.422761820e+00 2.62 -3.428166554e+00 -3.428166554e+00 2.64 -3.427385747e+00 -3.427385747e+00 2.66 -3.420326927e+00 -3.420326927e+00 2.68 -3.407102343e+00 -3.407102343e+00 2.70 -3.388774486e+00 -3.388774486e+00 2.72 -3.366663700e+00 -3.366663700e+00 2.74 -3.341712917e+00 -3.341712917e+00 2.76 -3.314393216e+00 -3.314393216e+00 2.78 -3.285142334e+00 -3.285142334e+00 2.80 -3.254386577e+00 -3.254386577e+00 2.82 -3.222168953e+00 -3.222168953e+00 2.84 -3.187891224e+00 -3.187891224e+00 2.86 -3.150880858e+00 -3.150880858e+00 2.88 -3.110461984e+00 -3.110461984e+00 2.90 -3.066032373e+00 -3.066032373e+00 2.92 -3.017673315e+00 -3.017673315e+00 2.94 -2.965867132e+00 -2.965867132e+00 2.96 -2.911100183e+00 -2.911100183e+00 2.98 -2.853854300e+00 -2.853854300e+00 3.00 -2.794606731e+00 -2.794606731e+00 3.02 -2.733821969e+00 -2.733821969e+00 3.04 -2.671890690e+00 -2.671890690e+00 3.06 -2.609164004e+00 -2.609164004e+00 3.08 -2.545965271e+00 -2.545965271e+00 3.10 -2.482507725e+00 -2.482507725e+00 3.12 -2.418968559e+00 -2.418968559e+00 3.14 -2.355534131e+00 -2.355534131e+00 3.16 -2.292392644e+00 -2.292392644e+00 3.18 -2.229711020e+00 -2.229711020e+00 3.20 -2.167602197e+00 -2.167602197e+00 3.22 -2.106169057e+00 -2.106169057e+00 3.24 -2.045512168e+00 -2.045512168e+00 3.26 -1.985729057e+00 -1.985729057e+00 3.28 -1.926913347e+00 -1.926913347e+00 3.30 -1.869155088e+00 -1.869155088e+00 3.32 -1.812539051e+00 -1.812539051e+00 3.34 -1.757106704e+00 -1.757106704e+00 3.36 -1.702882500e+00 -1.702882500e+00 3.38 -1.649881081e+00 -1.649881081e+00 3.40 -1.598105977e+00 -1.598105977e+00 3.42 -1.547548382e+00 -1.547548382e+00 3.44 -1.498186123e+00 -1.498186123e+00 3.46 -1.449982859e+00 -1.449982859e+00 3.48 -1.402887558e+00 -1.402887558e+00 3.50 -1.356834230e+00 -1.356834230e+00 3.52 -1.311741809e+00 -1.311741809e+00 3.54 -1.267515206e+00 -1.267515206e+00 3.56 -1.224095875e+00 -1.224095875e+00 3.58 -1.181496489e+00 -1.181496489e+00 3.60 -1.139741144e+00 -1.139741144e+00 3.62 -1.098875460e+00 -1.098875460e+00 3.64 -1.058898193e+00 -1.058898193e+00 3.66 -1.019732935e+00 -1.019732935e+00 3.68 -9.812970906e-01 -9.812970906e-01 3.70 -9.435073218e-01 -9.435073218e-01 3.72 -9.062794613e-01 -9.062794613e-01 3.74 -8.695278590e-01 -8.695278590e-01 3.76 -8.331649386e-01 -8.331649386e-01 3.78 -7.971262534e-01 -7.971262534e-01 3.80 -7.615076083e-01 -7.615076083e-01 3.82 -7.264648813e-01 -7.264648813e-01 3.84 -6.921481771e-01 -6.921481771e-01 3.86 -6.586671318e-01 -6.586671318e-01 3.88 -6.260599273e-01 -6.260599273e-01 3.90 -5.943543440e-01 -5.943543440e-01 3.92 -5.635828480e-01 -5.635828480e-01 3.94 -5.337879117e-01 -5.337879117e-01 3.96 -5.050892896e-01 -5.050892896e-01 3.98 -4.772306179e-01 -4.772306179e-01 4.00 -4.501450042e-01 -4.501450042e-01 4.02 -4.237228507e-01 -4.237228507e-01 4.04 -3.979235830e-01 -3.979235830e-01 4.06 -3.728159361e-01 -3.728159361e-01 4.08 -3.483944558e-01 -3.483944558e-01 4.10 -3.253751233e-01 -3.253751233e-01 4.12 -3.044248661e-01 -3.044248661e-01 4.14 -2.848959572e-01 -2.848959572e-01 4.16 -2.638562427e-01 -2.638562427e-01 4.18 -2.389720146e-01 -2.389720146e-01 4.20 -2.096215140e-01 -2.096215140e-01 4.22 -1.770556367e-01 -1.770556367e-01 4.24 -1.445294360e-01 -1.445294360e-01 4.26 -1.143244222e-01 -1.143244222e-01 4.28 -8.760568656e-02 -8.760568656e-02 4.30 -6.481684674e-02 -6.481684674e-02 4.32 -4.596331219e-02 -4.596331219e-02 4.34 -3.081267142e-02 -3.081267142e-02 4.36 -1.902669612e-02 -1.902669612e-02 4.38 -1.024541389e-02 -1.024541389e-02 4.40 -4.154377402e-03 -4.154377402e-03 4.42 -5.999685282e-04 -5.999685282e-04 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00