# 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 = Au2PdZr # 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 4.087870861e+02 4.087870861e+02 1.30 3.805247029e+02 3.805247029e+02 1.32 3.542829951e+02 3.542829951e+02 1.34 3.299023858e+02 3.299023858e+02 1.36 3.072370947e+02 3.072370947e+02 1.38 2.861536603e+02 2.861536603e+02 1.40 2.665301801e+02 2.665301801e+02 1.42 2.482562167e+02 2.482562167e+02 1.44 2.312321595e+02 2.312321595e+02 1.46 2.153672924e+02 2.153672924e+02 1.48 2.005774790e+02 2.005774790e+02 1.50 1.867840556e+02 1.867840556e+02 1.52 1.739139944e+02 1.739139944e+02 1.54 1.619001991e+02 1.619001991e+02 1.56 1.506811005e+02 1.506811005e+02 1.58 1.401997045e+02 1.401997045e+02 1.60 1.304029278e+02 1.304029278e+02 1.62 1.212414467e+02 1.212414467e+02 1.64 1.126698310e+02 1.126698310e+02 1.66 1.046465062e+02 1.046465062e+02 1.68 9.713350165e+01 9.713350165e+01 1.70 9.009588672e+01 9.009588672e+01 1.72 8.350121309e+01 8.350121309e+01 1.74 7.731913622e+01 7.731913622e+01 1.76 7.152133533e+01 7.152133533e+01 1.78 6.608155940e+01 6.608155940e+01 1.80 6.097564771e+01 6.097564771e+01 1.82 5.618140523e+01 5.618140523e+01 1.84 5.167870624e+01 5.167870624e+01 1.86 4.744995430e+01 4.744995430e+01 1.88 4.349509572e+01 4.349509572e+01 1.90 3.981549642e+01 3.981549642e+01 1.92 3.639622921e+01 3.639622921e+01 1.94 3.321986434e+01 3.321986434e+01 1.96 3.027003120e+01 3.027003120e+01 1.98 2.753129434e+01 2.753129434e+01 2.00 2.498909084e+01 2.498909084e+01 2.02 2.262971482e+01 2.262971482e+01 2.04 2.044033431e+01 2.044033431e+01 2.06 1.840900713e+01 1.840900713e+01 2.08 1.652467846e+01 1.652467846e+01 2.10 1.477714470e+01 1.477714470e+01 2.12 1.315697868e+01 1.315697868e+01 2.14 1.165544351e+01 1.165544351e+01 2.16 1.026439786e+01 1.026439786e+01 2.18 8.976219548e+00 8.976219548e+00 2.20 7.783769130e+00 7.783769130e+00 2.22 6.680365871e+00 6.680365871e+00 2.24 5.659781965e+00 5.659781965e+00 2.26 4.716239538e+00 4.716239538e+00 2.28 3.844407111e+00 3.844407111e+00 2.30 3.039381823e+00 3.039381823e+00 2.32 2.296669755e+00 2.296669755e+00 2.34 1.612132110e+00 1.612132110e+00 2.36 9.819478090e-01 9.819478090e-01 2.38 4.025684173e-01 4.025684173e-01 2.40 -1.293149522e-01 -1.293149522e-01 2.42 -6.167996978e-01 -6.167996978e-01 2.44 -1.062787227e+00 -1.062787227e+00 2.46 -1.470004956e+00 -1.470004956e+00 2.48 -1.841024627e+00 -1.841024627e+00 2.50 -2.178282126e+00 -2.178282126e+00 2.52 -2.484096299e+00 -2.484096299e+00 2.54 -2.760684236e+00 -2.760684236e+00 2.56 -3.010170250e+00 -3.010170250e+00 2.58 -3.234607475e+00 -3.234607475e+00 2.60 -3.435982270e+00 -3.435982270e+00 2.62 -3.616042717e+00 -3.616042717e+00 2.64 -3.776420615e+00 -3.776420615e+00 2.66 -3.918630736e+00 -3.918630736e+00 2.68 -4.044062780e+00 -4.044062780e+00 2.70 -4.153981318e+00 -4.153981318e+00 2.72 -4.249533645e+00 -4.249533645e+00 2.74 -4.331710787e+00 -4.331710787e+00 2.76 -4.401287688e+00 -4.401287688e+00 2.78 -4.458983768e+00 -4.458983768e+00 2.80 -4.505501322e+00 -4.505501322e+00 2.82 -4.541515748e+00 -4.541515748e+00 2.84 -4.567684563e+00 -4.567684563e+00 2.86 -4.584647365e+00 -4.584647365e+00 2.88 -4.593028249e+00 -4.593028249e+00 2.90 -4.593670258e+00 -4.593670258e+00 2.92 -4.587258129e+00 -4.587258129e+00 2.94 -4.574231579e+00 -4.574231579e+00 2.96 -4.555147103e+00 -4.555147103e+00 2.98 -4.530362321e+00 -4.530362321e+00 3.00 -4.500208482e+00 -4.500208482e+00 3.02 -4.465033807e+00 -4.465033807e+00 3.04 -4.425194002e+00 -4.425194002e+00 3.06 -4.381059047e+00 -4.381059047e+00 3.08 -4.333019551e+00 -4.333019551e+00 3.10 -4.281469828e+00 -4.281469828e+00 3.12 -4.226781084e+00 -4.226781084e+00 3.14 -4.169297846e+00 -4.169297846e+00 3.16 -4.109330260e+00 -4.109330260e+00 3.18 -4.047167743e+00 -4.047167743e+00 3.20 -3.983077891e+00 -3.983077891e+00 3.22 -3.917308510e+00 -3.917308510e+00 3.24 -3.850091073e+00 -3.850091073e+00 3.26 -3.781645116e+00 -3.781645116e+00 3.28 -3.712182605e+00 -3.712182605e+00 3.30 -3.641911026e+00 -3.641911026e+00 3.32 -3.571034171e+00 -3.571034171e+00 3.34 -3.499750301e+00 -3.499750301e+00 3.36 -3.428248357e+00 -3.428248357e+00 3.38 -3.356703529e+00 -3.356703529e+00 3.40 -3.285272654e+00 -3.285272654e+00 3.42 -3.214096564e+00 -3.214096564e+00 3.44 -3.143293541e+00 -3.143293541e+00 3.46 -3.072965676e+00 -3.072965676e+00 3.48 -3.003199987e+00 -3.003199987e+00 3.50 -2.934070871e+00 -2.934070871e+00 3.52 -2.865642168e+00 -2.865642168e+00 3.54 -2.797968652e+00 -2.797968652e+00 3.56 -2.731096967e+00 -2.731096967e+00 3.58 -2.665066140e+00 -2.665066140e+00 3.60 -2.599907846e+00 -2.599907846e+00 3.62 -2.535646581e+00 -2.535646581e+00 3.64 -2.472299887e+00 -2.472299887e+00 3.66 -2.409878740e+00 -2.409878740e+00 3.68 -2.348388185e+00 -2.348388185e+00 3.70 -2.287828281e+00 -2.287828281e+00 3.72 -2.228195400e+00 -2.228195400e+00 3.74 -2.169483837e+00 -2.169483837e+00 3.76 -2.111687697e+00 -2.111687697e+00 3.78 -2.054802869e+00 -2.054802869e+00 3.80 -1.998828881e+00 -1.998828881e+00 3.82 -1.943770319e+00 -1.943770319e+00 3.84 -1.889637508e+00 -1.889637508e+00 3.86 -1.836446216e+00 -1.836446216e+00 3.88 -1.784216304e+00 -1.784216304e+00 3.90 -1.732969488e+00 -1.732969488e+00 3.92 -1.682725299e+00 -1.682725299e+00 3.94 -1.633504008e+00 -1.633504008e+00 3.96 -1.585315819e+00 -1.585315819e+00 3.98 -1.538166100e+00 -1.538166100e+00 4.00 -1.492053898e+00 -1.492053898e+00 4.02 -1.446973090e+00 -1.446973090e+00 4.04 -1.402914175e+00 -1.402914175e+00 4.06 -1.359866268e+00 -1.359866268e+00 4.08 -1.317818896e+00 -1.317818896e+00 4.10 -1.276759440e+00 -1.276759440e+00 4.12 -1.236690091e+00 -1.236690091e+00 4.14 -1.197602332e+00 -1.197602332e+00 4.16 -1.159494582e+00 -1.159494582e+00 4.18 -1.122366691e+00 -1.122366691e+00 4.20 -1.086219098e+00 -1.086219098e+00 4.22 -1.051052014e+00 -1.051052014e+00 4.24 -1.016864735e+00 -1.016864735e+00 4.26 -9.836551067e-01 -9.836551067e-01 4.28 -9.514191123e-01 -9.514191123e-01 4.30 -9.201505248e-01 -9.201505248e-01 4.32 -8.898405529e-01 -8.898405529e-01 4.34 -8.604774567e-01 -8.604774567e-01 4.36 -8.320461440e-01 -8.320461440e-01 4.38 -8.045277987e-01 -8.045277987e-01 4.40 -7.778996189e-01 -7.778996189e-01 4.42 -7.521347374e-01 -7.521347374e-01 4.44 -7.272023770e-01 -7.272023770e-01 4.46 -7.030682547e-01 -7.030682547e-01 4.48 -6.796952142e-01 -6.796952142e-01 4.50 -6.570440361e-01 -6.570440361e-01 4.52 -6.350743601e-01 -6.350743601e-01 4.54 -6.137456517e-01 -6.137456517e-01 4.56 -5.930181540e-01 -5.930181540e-01 4.58 -5.728537789e-01 -5.728537789e-01 4.60 -5.532169048e-01 -5.532169048e-01 4.62 -5.340750590e-01 -5.340750590e-01 4.64 -5.153994701e-01 -5.153994701e-01 4.66 -4.971654796e-01 -4.971654796e-01 4.68 -4.793528011e-01 -4.793528011e-01 4.70 -4.619456228e-01 -4.619456228e-01 4.72 -4.449325484e-01 -4.449325484e-01 4.74 -4.283063841e-01 -4.283063841e-01 4.76 -4.120637880e-01 -4.120637880e-01 4.78 -3.962048109e-01 -3.962048109e-01 4.80 -3.807292455e-01 -3.807292455e-01 4.82 -3.656490953e-01 -3.656490953e-01 4.84 -3.509676160e-01 -3.509676160e-01 4.86 -3.366931034e-01 -3.366931034e-01 4.88 -3.228346923e-01 -3.228346923e-01 4.90 -3.094019700e-01 -3.094019700e-01 4.92 -2.964046162e-01 -2.964046162e-01 4.94 -2.838520393e-01 -2.838520393e-01 4.96 -2.717529807e-01 -2.717529807e-01 4.98 -2.601150694e-01 -2.601150694e-01 5.00 -2.489443315e-01 -2.489443315e-01 5.02 -2.382446773e-01 -2.382446773e-01 5.04 -2.280174094e-01 -2.280174094e-01 5.06 -2.182608018e-01 -2.182608018e-01 5.08 -2.089698009e-01 -2.089698009e-01 5.10 -2.001358878e-01 -2.001358878e-01 5.12 -1.917471222e-01 -1.917471222e-01 5.14 -1.837883672e-01 -1.837883672e-01 5.16 -1.762416787e-01 -1.762416787e-01 5.18 -1.690868192e-01 -1.690868192e-01 5.20 -1.623018392e-01 -1.623018392e-01 5.22 -1.558635388e-01 -1.558635388e-01 5.24 -1.497485847e-01 -1.497485847e-01 5.26 -1.439338500e-01 -1.439338500e-01 5.28 -1.383968489e-01 -1.383968489e-01 5.30 -1.331162141e-01 -1.331162141e-01 5.32 -1.280720822e-01 -1.280720822e-01 5.34 -1.232463824e-01 -1.232463824e-01 5.36 -1.186230292e-01 -1.186230292e-01 5.38 -1.141880234e-01 -1.141880234e-01 5.40 -1.099294579e-01 -1.099294579e-01 5.42 -1.058374403e-01 -1.058374403e-01 5.44 -1.019039354e-01 -1.019039354e-01 5.46 -9.812253557e-02 -9.812253557e-02 5.48 -9.448817373e-02 -9.448817373e-02 5.50 -9.099680236e-02 -9.099680236e-02 5.52 -8.764505048e-02 -8.764505048e-02 5.54 -8.442988977e-02 -8.442988977e-02 5.56 -8.134833401e-02 -8.134833401e-02 5.58 -7.839718983e-02 -7.839718983e-02 5.60 -7.557285914e-02 -7.557285914e-02 5.62 -7.287117324e-02 -7.287117324e-02 5.64 -7.028753078e-02 -7.028753078e-02 5.66 -6.781680056e-02 -6.781680056e-02 5.68 -6.545336140e-02 -6.545336140e-02 5.70 -6.319120121e-02 -6.319120121e-02 5.72 -6.102403216e-02 -6.102403216e-02 5.74 -5.894540892e-02 -5.894540892e-02 5.76 -5.694883950e-02 -5.694883950e-02 5.78 -5.502788220e-02 -5.502788220e-02 5.80 -5.317622488e-02 -5.317622488e-02 5.82 -5.138774576e-02 -5.138774576e-02 5.84 -4.965655693e-02 -4.965655693e-02 5.86 -4.797703303e-02 -4.797703303e-02 5.88 -4.634382819e-02 -4.634382819e-02 5.90 -4.475188491e-02 -4.475188491e-02 5.92 -4.319643819e-02 -4.319643819e-02 5.94 -4.167301814e-02 -4.167301814e-02 5.96 -4.017745387e-02 -4.017745387e-02 5.98 -3.870588105e-02 -3.870588105e-02 6.00 -3.725475492e-02 -3.725475492e-02