# 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 = Ag2AuTa # 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 3.506666046e+02 3.506666046e+02 1.30 3.253874287e+02 3.253874287e+02 1.32 3.019636973e+02 3.019636973e+02 1.34 2.802425197e+02 2.802425197e+02 1.36 2.600858606e+02 2.600858606e+02 1.38 2.413692340e+02 2.413692340e+02 1.40 2.239802040e+02 2.239802040e+02 1.42 2.078173112e+02 2.078173112e+02 1.44 1.927894368e+02 1.927894368e+02 1.46 1.788151248e+02 1.788151248e+02 1.48 1.658212965e+02 1.658212965e+02 1.50 1.537411505e+02 1.537411505e+02 1.52 1.425117626e+02 1.425117626e+02 1.54 1.320724091e+02 1.320724091e+02 1.56 1.223642702e+02 1.223642702e+02 1.58 1.133312331e+02 1.133312331e+02 1.60 1.049209666e+02 1.049209666e+02 1.62 9.708559177e+01 9.708559177e+01 1.64 8.978176650e+01 8.978176650e+01 1.66 8.297034735e+01 8.297034735e+01 1.68 7.661586157e+01 7.661586157e+01 1.70 7.068595353e+01 7.068595353e+01 1.72 6.515089725e+01 6.515089725e+01 1.74 5.998408082e+01 5.998408082e+01 1.76 5.516414595e+01 5.516414595e+01 1.78 5.067145545e+01 5.067145545e+01 1.80 4.649223452e+01 4.649223452e+01 1.82 4.260536013e+01 4.260536013e+01 1.84 3.899299644e+01 3.899299644e+01 1.86 3.563708337e+01 3.563708337e+01 1.88 3.252074787e+01 3.252074787e+01 1.90 2.962852636e+01 2.962852636e+01 1.92 2.694608677e+01 2.694608677e+01 1.94 2.445993775e+01 2.445993775e+01 1.96 2.215718808e+01 2.215718808e+01 1.98 2.002540054e+01 2.002540054e+01 2.00 1.805255168e+01 1.805255168e+01 2.02 1.622708123e+01 1.622708123e+01 2.04 1.453800028e+01 1.453800028e+01 2.06 1.297501745e+01 1.297501745e+01 2.08 1.152863954e+01 1.152863954e+01 2.10 1.019021510e+01 1.019021510e+01 2.12 8.951913453e+00 8.951913453e+00 2.14 7.806654614e+00 7.806654614e+00 2.16 6.748015358e+00 6.748015358e+00 2.18 5.770133891e+00 5.770133891e+00 2.20 4.867625535e+00 4.867625535e+00 2.22 4.035511944e+00 4.035511944e+00 2.24 3.269160477e+00 3.269160477e+00 2.26 2.564229496e+00 2.564229496e+00 2.28 1.916618299e+00 1.916618299e+00 2.30 1.322424263e+00 1.322424263e+00 2.32 7.779120663e-01 7.779120663e-01 2.34 2.794994866e-01 2.794994866e-01 2.36 -1.762388494e-01 -1.762388494e-01 2.38 -5.925292050e-01 -5.925292050e-01 2.40 -9.722905912e-01 -9.722905912e-01 2.42 -1.318518406e+00 -1.318518406e+00 2.44 -1.633983388e+00 -1.633983388e+00 2.46 -1.921169452e+00 -1.921169452e+00 2.48 -2.182298610e+00 -2.182298610e+00 2.50 -2.419365142e+00 -2.419365142e+00 2.52 -2.634033328e+00 -2.634033328e+00 2.54 -2.827585706e+00 -2.827585706e+00 2.56 -3.001283255e+00 -3.001283255e+00 2.58 -3.156397220e+00 -3.156397220e+00 2.60 -3.294195209e+00 -3.294195209e+00 2.62 -3.415925750e+00 -3.415925750e+00 2.64 -3.522798504e+00 -3.522798504e+00 2.66 -3.615961301e+00 -3.615961301e+00 2.68 -3.696478796e+00 -3.696478796e+00 2.70 -3.765318270e+00 -3.765318270e+00 2.72 -3.823345774e+00 -3.823345774e+00 2.74 -3.871332097e+00 -3.871332097e+00 2.76 -3.909965213e+00 -3.909965213e+00 2.78 -3.939904154e+00 -3.939904154e+00 2.80 -3.961747251e+00 -3.961747251e+00 2.82 -3.975941667e+00 -3.975941667e+00 2.84 -3.982915514e+00 -3.982915514e+00 2.86 -3.983083407e+00 -3.983083407e+00 2.88 -3.976847740e+00 -3.976847740e+00 2.90 -3.964599619e+00 -3.964599619e+00 2.92 -3.946719884e+00 -3.946719884e+00 2.94 -3.923579364e+00 -3.923579364e+00 2.96 -3.895534487e+00 -3.895534487e+00 2.98 -3.862934752e+00 -3.862934752e+00 3.00 -3.826127185e+00 -3.826127185e+00 3.02 -3.785456486e+00 -3.785456486e+00 3.04 -3.741292105e+00 -3.741292105e+00 3.06 -3.694134421e+00 -3.694134421e+00 3.08 -3.644176679e+00 -3.644176679e+00 3.10 -3.591563884e+00 -3.591563884e+00 3.12 -3.536449769e+00 -3.536449769e+00 3.14 -3.478989352e+00 -3.478989352e+00 3.16 -3.419335189e+00 -3.419335189e+00 3.18 -3.357637681e+00 -3.357637681e+00 3.20 -3.294048787e+00 -3.294048787e+00 3.22 -3.228729858e+00 -3.228729858e+00 3.24 -3.161866402e+00 -3.161866402e+00 3.26 -3.093663838e+00 -3.093663838e+00 3.28 -3.024345628e+00 -3.024345628e+00 3.30 -2.954152900e+00 -2.954152900e+00 3.32 -2.883340411e+00 -2.883340411e+00 3.34 -2.812169273e+00 -2.812169273e+00 3.36 -2.740897404e+00 -2.740897404e+00 3.38 -2.669768968e+00 -2.669768968e+00 3.40 -2.599004221e+00 -2.599004221e+00 3.42 -2.528791035e+00 -2.528791035e+00 3.44 -2.459278990e+00 -2.459278990e+00 3.46 -2.390576526e+00 -2.390576526e+00 3.48 -2.322751105e+00 -2.322751105e+00 3.50 -2.255832010e+00 -2.255832010e+00 3.52 -2.189815188e+00 -2.189815188e+00 3.54 -2.124669435e+00 -2.124669435e+00 3.56 -2.060343340e+00 -2.060343340e+00 3.58 -1.996772474e+00 -1.996772474e+00 3.60 -1.933886507e+00 -1.933886507e+00 3.62 -1.871616033e+00 -1.871616033e+00 3.64 -1.809898968e+00 -1.809898968e+00 3.66 -1.748686444e+00 -1.748686444e+00 3.68 -1.687948052e+00 -1.687948052e+00 3.70 -1.627676292e+00 -1.627676292e+00 3.72 -1.567889990e+00 -1.567889990e+00 3.74 -1.508636411e+00 -1.508636411e+00 3.76 -1.449991778e+00 -1.449991778e+00 3.78 -1.392059966e+00 -1.392059966e+00 3.80 -1.334969246e+00 -1.334969246e+00 3.82 -1.278867121e+00 -1.278867121e+00 3.84 -1.223913532e+00 -1.223913532e+00 3.86 -1.170272888e+00 -1.170272888e+00 3.88 -1.118105578e+00 -1.118105578e+00 3.90 -1.067559689e+00 -1.067559689e+00 3.92 -1.018763652e+00 -1.018763652e+00 3.94 -9.718204219e-01 -9.718204219e-01 3.96 -9.268035740e-01 -9.268035740e-01 3.98 -8.837555166e-01 -8.837555166e-01 4.00 -8.426877218e-01 -8.426877218e-01 4.02 -8.035827294e-01 -8.035827294e-01 4.04 -7.663975325e-01 -7.663975325e-01 4.06 -7.310679043e-01 -7.310679043e-01 4.08 -6.975132330e-01 -6.975132330e-01 4.10 -6.656414829e-01 -6.656414829e-01 4.12 -6.353540007e-01 -6.353540007e-01 4.14 -6.065498968e-01 -6.065498968e-01 4.16 -5.791299271e-01 -5.791299271e-01 4.18 -5.529997272e-01 -5.529997272e-01 4.20 -5.280723676e-01 -5.280723676e-01 4.22 -5.042701880e-01 -5.042701880e-01 4.24 -4.815258891e-01 -4.815258891e-01 4.26 -4.597828688e-01 -4.597828688e-01 4.28 -4.389948207e-01 -4.389948207e-01 4.30 -4.191246427e-01 -4.191246427e-01 4.32 -4.001427614e-01 -4.001427614e-01 4.34 -3.820250306e-01 -3.820250306e-01 4.36 -3.647504129e-01 -3.647504129e-01 4.38 -3.482986803e-01 -3.482986803e-01 4.40 -3.326483627e-01 -3.326483627e-01 4.42 -3.177751366e-01 -3.177751366e-01 4.44 -3.036507696e-01 -3.036507696e-01 4.46 -2.902426594e-01 -2.902426594e-01 4.48 -2.775139217e-01 -2.775139217e-01 4.50 -2.654239226e-01 -2.654239226e-01 4.52 -2.539291147e-01 -2.539291147e-01 4.54 -2.429840348e-01 -2.429840348e-01 4.56 -2.325423341e-01 -2.325423341e-01 4.58 -2.225577465e-01 -2.225577465e-01 4.60 -2.129849348e-01 -2.129849348e-01 4.62 -2.037801883e-01 -2.037801883e-01 4.64 -1.949019748e-01 -1.949019748e-01 4.66 -1.863113654e-01 -1.863113654e-01 4.68 -1.779723624e-01 -1.779723624e-01 4.70 -1.698521656e-01 -1.698521656e-01 4.72 -1.619214053e-01 -1.619214053e-01 4.74 -1.541543701e-01 -1.541543701e-01 4.76 -1.465292447e-01 -1.465292447e-01 4.78 -1.390283628e-01 -1.390283628e-01 4.80 -1.316384694e-01 -1.316384694e-01 4.82 -1.243509829e-01 -1.243509829e-01 4.84 -1.171622030e-01 -1.171622030e-01 4.86 -1.100734601e-01 -1.100734601e-01 4.88 -1.030911352e-01 -1.030911352e-01 4.90 -9.622651325e-02 -9.622651325e-02 4.92 -8.949543037e-02 -8.949543037e-02 4.94 -8.291768552e-02 -8.291768552e-02 4.96 -7.651621266e-02 -7.651621266e-02 4.98 -7.031603087e-02 -7.031603087e-02 5.00 -6.434302432e-02 -6.434302432e-02 5.02 -5.862262472e-02 -5.862262472e-02 5.04 -5.317849312e-02 -5.317849312e-02 5.06 -4.803130389e-02 -4.803130389e-02 5.08 -4.319772185e-02 -4.319772185e-02 5.10 -3.868944725e-02 -3.868944725e-02 5.12 -3.451300727e-02 -3.451300727e-02 5.14 -3.067004966e-02 -3.067004966e-02 5.16 -2.715704278e-02 -2.715704278e-02 5.18 -2.396574436e-02 -2.396574436e-02 5.20 -2.108371538e-02 -2.108371538e-02 5.22 -1.849515988e-02 -1.849515988e-02 5.24 -1.618235296e-02 -1.618235296e-02 5.26 -1.412585475e-02 -1.412585475e-02 5.28 -1.230525748e-02 -1.230525748e-02 5.30 -1.069986171e-02 -1.069986171e-02 5.32 -9.289232859e-03 -9.289232859e-03 5.34 -8.053635175e-03 -8.053635175e-03 5.36 -6.974349669e-03 -6.974349669e-03 5.38 -6.033888476e-03 -6.033888476e-03 5.40 -5.216121380e-03 -5.216121380e-03 5.42 -4.506331092e-03 -4.506331092e-03 5.44 -3.891213306e-03 -3.891213306e-03 5.46 -3.358835959e-03 -3.358835959e-03 5.48 -2.898570079e-03 -2.898570079e-03 5.50 -2.501002382e-03 -2.501002382e-03 5.52 -2.157837658e-03 -2.157837658e-03 5.54 -1.861797061e-03 -1.861797061e-03 5.56 -1.606516794e-03 -1.606516794e-03 5.58 -1.386450294e-03 -1.386450294e-03 5.60 -1.196775993e-03 -1.196775993e-03 5.62 -1.033311864e-03 -1.033311864e-03 5.64 -8.924373644e-04 -8.924373644e-04 5.66 -7.710229321e-04 -7.710229321e-04 5.68 -6.663668916e-04 -6.663668916e-04 5.70 -5.761394062e-04 -5.761394062e-04 5.72 -4.983330044e-04 -4.983330044e-04 5.74 -4.312191319e-04 -4.312191319e-04 5.76 -3.733101600e-04 -3.733101600e-04 5.78 -3.233262851e-04 -3.233262851e-04 5.80 -2.801667764e-04 -2.801667764e-04 5.82 -2.428850625e-04 -2.428850625e-04 5.84 -2.106671898e-04 -2.106671898e-04 5.86 -1.828132290e-04 -1.828132290e-04 5.88 -1.587212486e-04 -1.587212486e-04 5.90 -1.378735172e-04 -1.378735172e-04 5.92 -1.198246359e-04 -1.198246359e-04 5.94 -1.041913380e-04 -1.041913380e-04 5.96 -9.064372783e-05 -9.064372783e-05 5.98 -7.889775721e-05 -7.889775721e-05 6.00 -6.870876866e-05 -6.870876866e-05