# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Ag2CuPd # 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 2022-05-24 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 4.411767988e+02 4.411767988e+02 1.00 4.061214317e+02 4.061214317e+02 1.02 3.745291994e+02 3.745291994e+02 1.04 3.459865712e+02 3.459865712e+02 1.06 3.201296644e+02 3.201296644e+02 1.08 2.966405471e+02 2.966405471e+02 1.10 2.752485883e+02 2.752485883e+02 1.12 2.557128068e+02 2.557128068e+02 1.14 2.378210970e+02 2.378210970e+02 1.16 2.213973518e+02 2.213973518e+02 1.18 2.062856219e+02 2.062856219e+02 1.20 1.923489882e+02 1.923489882e+02 1.22 1.794633270e+02 1.794633270e+02 1.24 1.675296629e+02 1.675296629e+02 1.26 1.564557102e+02 1.564557102e+02 1.28 1.461614710e+02 1.461614710e+02 1.30 1.365747646e+02 1.365747646e+02 1.32 1.276344695e+02 1.276344695e+02 1.34 1.192869465e+02 1.192869465e+02 1.36 1.114835843e+02 1.114835843e+02 1.38 1.041810402e+02 1.041810402e+02 1.40 9.734169762e+01 9.734169762e+01 1.42 9.093107893e+01 9.093107893e+01 1.44 8.491918389e+01 8.491918389e+01 1.46 7.927632711e+01 7.927632711e+01 1.48 7.397797857e+01 7.397797857e+01 1.50 6.900310493e+01 6.900310493e+01 1.52 6.433070749e+01 6.433070749e+01 1.54 5.994056115e+01 5.994056115e+01 1.56 5.581562269e+01 5.581562269e+01 1.58 5.194000279e+01 5.194000279e+01 1.60 4.829951603e+01 4.829951603e+01 1.62 4.487982127e+01 4.487982127e+01 1.64 4.166797618e+01 4.166797618e+01 1.66 3.865127882e+01 3.865127882e+01 1.68 3.581862873e+01 3.581862873e+01 1.70 3.316027679e+01 3.316027679e+01 1.72 3.066605105e+01 3.066605105e+01 1.74 2.832668218e+01 2.832668218e+01 1.76 2.613266429e+01 2.613266429e+01 1.78 2.407519473e+01 2.407519473e+01 1.80 2.214232387e+01 2.214232387e+01 1.82 2.030815613e+01 2.030815613e+01 1.84 1.861437051e+01 1.861437051e+01 1.86 1.702346865e+01 1.702346865e+01 1.88 1.551833744e+01 1.551833744e+01 1.90 1.411635669e+01 1.411635669e+01 1.92 1.279801387e+01 1.279801387e+01 1.94 1.155898394e+01 1.155898394e+01 1.96 1.039547440e+01 1.039547440e+01 1.98 9.302830265e+00 9.302830265e+00 2.00 8.278191822e+00 8.278191822e+00 2.02 7.318595836e+00 7.318595836e+00 2.04 6.420813155e+00 6.420813155e+00 2.06 5.581605702e+00 5.581605702e+00 2.08 4.797961672e+00 4.797961672e+00 2.10 4.067327499e+00 4.067327499e+00 2.12 3.386648101e+00 3.386648101e+00 2.14 2.753564810e+00 2.753564810e+00 2.16 2.165437734e+00 2.165437734e+00 2.18 1.620063017e+00 1.620063017e+00 2.20 1.115282941e+00 1.115282941e+00 2.22 6.487983202e-01 6.487983202e-01 2.24 2.185695920e-01 2.185695920e-01 2.26 -1.773889803e-01 -1.773889803e-01 2.28 -5.410108172e-01 -5.410108172e-01 2.30 -8.738158135e-01 -8.738158135e-01 2.32 -1.177378666e+00 -1.177378666e+00 2.34 -1.454003120e+00 -1.454003120e+00 2.36 -1.705290357e+00 -1.705290357e+00 2.38 -1.932761195e+00 -1.932761195e+00 2.40 -2.137866647e+00 -2.137866647e+00 2.42 -2.322034658e+00 -2.322034658e+00 2.44 -2.486420673e+00 -2.486420673e+00 2.46 -2.632162301e+00 -2.632162301e+00 2.48 -2.760751548e+00 -2.760751548e+00 2.50 -2.873464548e+00 -2.873464548e+00 2.52 -2.971200474e+00 -2.971200474e+00 2.54 -3.054678094e+00 -3.054678094e+00 2.56 -3.125155988e+00 -3.125155988e+00 2.58 -3.183604839e+00 -3.183604839e+00 2.60 -3.231535077e+00 -3.231535077e+00 2.62 -3.269223516e+00 -3.269223516e+00 2.64 -3.297345730e+00 -3.297345730e+00 2.66 -3.316703098e+00 -3.316703098e+00 2.68 -3.327991989e+00 -3.327991989e+00 2.70 -3.331721969e+00 -3.331721969e+00 2.72 -3.328427203e+00 -3.328427203e+00 2.74 -3.318902581e+00 -3.318902581e+00 2.76 -3.303696137e+00 -3.303696137e+00 2.78 -3.283595536e+00 -3.283595536e+00 2.80 -3.258999763e+00 -3.258999763e+00 2.82 -3.230156581e+00 -3.230156581e+00 2.84 -3.197493454e+00 -3.197493454e+00 2.86 -3.161406723e+00 -3.161406723e+00 2.88 -3.121645039e+00 -3.121645039e+00 2.90 -3.079020250e+00 -3.079020250e+00 2.92 -3.034270435e+00 -3.034270435e+00 2.94 -2.987464483e+00 -2.987464483e+00 2.96 -2.938877877e+00 -2.938877877e+00 2.98 -2.888765653e+00 -2.888765653e+00 3.00 -2.837363551e+00 -2.837363551e+00 3.02 -2.784886346e+00 -2.784886346e+00 3.04 -2.731760958e+00 -2.731760958e+00 3.06 -2.677494707e+00 -2.677494707e+00 3.08 -2.622384456e+00 -2.622384456e+00 3.10 -2.566939632e+00 -2.566939632e+00 3.12 -2.511321833e+00 -2.511321833e+00 3.14 -2.455654583e+00 -2.455654583e+00 3.16 -2.400053251e+00 -2.400053251e+00 3.18 -2.344622169e+00 -2.344622169e+00 3.20 -2.289455755e+00 -2.289455755e+00 3.22 -2.234639230e+00 -2.234639230e+00 3.24 -2.180243645e+00 -2.180243645e+00 3.26 -2.126634265e+00 -2.126634265e+00 3.28 -2.073664291e+00 -2.073664291e+00 3.30 -2.021285909e+00 -2.021285909e+00 3.32 -1.969548079e+00 -1.969548079e+00 3.34 -1.918494229e+00 -1.918494229e+00 3.36 -1.868162047e+00 -1.868162047e+00 3.38 -1.818586812e+00 -1.818586812e+00 3.40 -1.769813800e+00 -1.769813800e+00 3.42 -1.721945861e+00 -1.721945861e+00 3.44 -1.674844405e+00 -1.674844405e+00 3.46 -1.628457784e+00 -1.628457784e+00 3.48 -1.582819555e+00 -1.582819555e+00 3.50 -1.538050506e+00 -1.538050506e+00 3.52 -1.494187640e+00 -1.494187640e+00 3.54 -1.451217103e+00 -1.451217103e+00 3.56 -1.409132593e+00 -1.409132593e+00 3.58 -1.367942383e+00 -1.367942383e+00 3.60 -1.327643013e+00 -1.327643013e+00 3.62 -1.288185112e+00 -1.288185112e+00 3.64 -1.249526089e+00 -1.249526089e+00 3.66 -1.211661519e+00 -1.211661519e+00 3.68 -1.174640833e+00 -1.174640833e+00 3.70 -1.138509627e+00 -1.138509627e+00 3.72 -1.103271966e+00 -1.103271966e+00 3.74 -1.068890808e+00 -1.068890808e+00 3.76 -1.035350535e+00 -1.035350535e+00 3.78 -1.002642244e+00 -1.002642244e+00 3.80 -9.707533043e-01 -9.707533043e-01 3.82 -9.396405231e-01 -9.396405231e-01 3.84 -9.092997946e-01 -9.092997946e-01 3.86 -8.797372492e-01 -8.797372492e-01 3.88 -8.509566565e-01 -8.509566565e-01 3.90 -8.229258239e-01 -8.229258239e-01 3.92 -7.955109386e-01 -7.955109386e-01 3.94 -7.686094746e-01 -7.686094746e-01 3.96 -7.423737445e-01 -7.423737445e-01 3.98 -7.169252008e-01 -7.169252008e-01 4.00 -6.923530407e-01 -6.923530407e-01 4.02 -6.687285438e-01 -6.687285438e-01 4.04 -6.461203901e-01 -6.461203901e-01 4.06 -6.245320383e-01 -6.245320383e-01 4.08 -6.040481103e-01 -6.040481103e-01 4.10 -5.844320748e-01 -5.844320748e-01 4.12 -5.653491386e-01 -5.653491386e-01 4.14 -5.465519513e-01 -5.465519513e-01 4.16 -5.278637657e-01 -5.278637657e-01 4.18 -5.091643699e-01 -5.091643699e-01 4.20 -4.903783793e-01 -4.903783793e-01 4.22 -4.714655203e-01 -4.714655203e-01 4.24 -4.524023300e-01 -4.524023300e-01 4.26 -4.331897874e-01 -4.331897874e-01 4.28 -4.138277844e-01 -4.138277844e-01 4.30 -3.948662535e-01 -3.948662535e-01 4.32 -3.760608099e-01 -3.760608099e-01 4.34 -3.572606666e-01 -3.572606666e-01 4.36 -3.386390132e-01 -3.386390132e-01 4.38 -3.203304552e-01 -3.203304552e-01 4.40 -3.024395344e-01 -3.024395344e-01 4.42 -2.850457806e-01 -2.850457806e-01 4.44 -2.682079877e-01 -2.682079877e-01 4.46 -2.519678321e-01 -2.519678321e-01 4.48 -2.363529355e-01 -2.363529355e-01 4.50 -2.213794399e-01 -2.213794399e-01 4.52 -2.070541806e-01 -2.070541806e-01 4.54 -1.933765095e-01 -1.933765095e-01 4.56 -1.803397514e-01 -1.803397514e-01 4.58 -1.679265374e-01 -1.679265374e-01 4.60 -1.562951011e-01 -1.562951011e-01 4.62 -1.454100699e-01 -1.454100699e-01 4.64 -1.350774037e-01 -1.350774037e-01 4.66 -1.252829739e-01 -1.252829739e-01 4.68 -1.160057993e-01 -1.160057993e-01 4.70 -1.072243673e-01 -1.072243673e-01 4.72 -9.891696762e-02 -9.891696762e-02 4.74 -9.106194014e-02 -9.106194014e-02 4.76 -8.363787313e-02 -8.363787313e-02 4.78 -7.662375463e-02 -7.662375463e-02 4.80 -6.999305288e-02 -6.999305288e-02 4.82 -6.391023957e-02 -6.391023957e-02 4.84 -5.823414540e-02 -5.823414540e-02 4.86 -5.287142337e-02 -5.287142337e-02 4.88 -4.780567134e-02 -4.780567134e-02 4.90 -4.302117586e-02 -4.302117586e-02 4.92 -3.850248439e-02 -3.850248439e-02 4.94 -3.418418321e-02 -3.418418321e-02 4.96 -3.084220155e-02 -3.084220155e-02 4.98 -2.840214866e-02 -2.840214866e-02 5.00 -2.604993693e-02 -2.604993693e-02 5.02 -2.382824007e-02 -2.382824007e-02 5.04 -2.173027859e-02 -2.173027859e-02 5.06 -1.974926895e-02 -1.974926895e-02 5.08 -1.787879091e-02 -1.787879091e-02 5.10 -1.611276932e-02 -1.611276932e-02 5.12 -1.444545668e-02 -1.444545668e-02 5.14 -1.287141623e-02 -1.287141623e-02 5.16 -1.138550566e-02 -1.138550566e-02 5.18 -9.982861746e-03 -9.982861746e-03 5.20 -8.658885657e-03 -8.658885657e-03 5.22 -7.409229058e-03 -7.409229058e-03 5.24 -6.229780569e-03 -6.229780569e-03 5.26 -5.116636013e-03 -5.116636013e-03 5.28 -4.067234430e-03 -4.067234430e-03 5.30 -3.102259362e-03 -3.102259362e-03 5.32 -2.731551383e-03 -2.731551383e-03 5.34 -2.401323384e-03 -2.401323384e-03 5.36 -2.095821678e-03 -2.095821678e-03 5.38 -1.809471795e-03 -1.809471795e-03 5.40 -1.541098238e-03 -1.541098238e-03 5.42 -1.289596180e-03 -1.289596180e-03 5.44 -1.053927269e-03 -1.053927269e-03 5.46 -8.331157078e-04 -8.331157078e-04 5.48 -6.262445734e-04 -6.262445734e-04 5.50 -4.324523456e-04 -4.324523456e-04 5.52 -2.509295972e-04 -2.509295972e-04 5.54 -7.982831697e-05 -7.982831697e-05 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