# 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 = Ag2FePd # 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 2.611240146e+02 2.611240146e+02 1.30 2.408150005e+02 2.408150005e+02 1.32 2.220841633e+02 2.220841633e+02 1.34 2.048029531e+02 2.048029531e+02 1.36 1.888519349e+02 1.888519349e+02 1.38 1.741202897e+02 1.741202897e+02 1.40 1.605060183e+02 1.605060183e+02 1.42 1.479164315e+02 1.479164315e+02 1.44 1.362683354e+02 1.362683354e+02 1.46 1.254874784e+02 1.254874784e+02 1.48 1.155073284e+02 1.155073284e+02 1.50 1.062675591e+02 1.062675591e+02 1.52 9.771263953e+01 9.771263953e+01 1.54 8.979083074e+01 8.979083074e+01 1.56 8.245371243e+01 8.245371243e+01 1.58 7.565612875e+01 7.565612875e+01 1.60 6.935633028e+01 6.935633028e+01 1.62 6.351624890e+01 6.351624890e+01 1.64 5.811455590e+01 5.811455590e+01 1.66 5.312920547e+01 5.312920547e+01 1.68 4.853033787e+01 4.853033787e+01 1.70 4.428898514e+01 4.428898514e+01 1.72 4.037809058e+01 4.037809058e+01 1.74 3.677227937e+01 3.677227937e+01 1.76 3.344780838e+01 3.344780838e+01 1.78 3.038260803e+01 3.038260803e+01 1.80 2.755632132e+01 2.755632132e+01 1.82 2.495027986e+01 2.495027986e+01 1.84 2.254740529e+01 2.254740529e+01 1.86 2.033206643e+01 2.033206643e+01 1.88 1.828993386e+01 1.828993386e+01 1.90 1.640785145e+01 1.640785145e+01 1.92 1.467371795e+01 1.467371795e+01 1.94 1.307637009e+01 1.307637009e+01 1.96 1.160547169e+01 1.160547169e+01 1.98 1.025142035e+01 1.025142035e+01 2.00 9.005280652e+00 9.005280652e+00 2.02 7.858745491e+00 7.858745491e+00 2.04 6.804119614e+00 6.804119614e+00 2.06 5.834311204e+00 5.834311204e+00 2.08 4.942816073e+00 4.942816073e+00 2.10 4.123686106e+00 4.123686106e+00 2.12 3.371483546e+00 3.371483546e+00 2.14 2.681228762e+00 2.681228762e+00 2.16 2.048349909e+00 2.048349909e+00 2.18 1.468640472e+00 1.468640472e+00 2.20 9.382268108e-01 9.382268108e-01 2.22 4.535437457e-01 4.535437457e-01 2.24 1.131386529e-02 1.131386529e-02 2.26 -3.914735216e-01 -3.914735216e-01 2.28 -7.575858540e-01 -7.575858540e-01 2.30 -1.089573188e+00 -1.089573188e+00 2.32 -1.389795308e+00 -1.389795308e+00 2.34 -1.660448313e+00 -1.660448313e+00 2.36 -1.903588765e+00 -1.903588765e+00 2.38 -2.121153665e+00 -2.121153665e+00 2.40 -2.314975603e+00 -2.314975603e+00 2.42 -2.486793970e+00 -2.486793970e+00 2.44 -2.638264030e+00 -2.638264030e+00 2.46 -2.770964991e+00 -2.770964991e+00 2.48 -2.886406204e+00 -2.886406204e+00 2.50 -2.986029297e+00 -2.986029297e+00 2.52 -3.071358899e+00 -3.071358899e+00 2.54 -3.143979123e+00 -3.143979123e+00 2.56 -3.204888495e+00 -3.204888495e+00 2.58 -3.255017303e+00 -3.255017303e+00 2.60 -3.295241183e+00 -3.295241183e+00 2.62 -3.326380578e+00 -3.326380578e+00 2.64 -3.349199328e+00 -3.349199328e+00 2.66 -3.364401945e+00 -3.364401945e+00 2.68 -3.372674162e+00 -3.372674162e+00 2.70 -3.374642857e+00 -3.374642857e+00 2.72 -3.370856644e+00 -3.370856644e+00 2.74 -3.361940017e+00 -3.361940017e+00 2.76 -3.348050722e+00 -3.348050722e+00 2.78 -3.329239735e+00 -3.329239735e+00 2.80 -3.305617761e+00 -3.305617761e+00 2.82 -3.277353392e+00 -3.277353392e+00 2.84 -3.244669572e+00 -3.244669572e+00 2.86 -3.207837705e+00 -3.207837705e+00 2.88 -3.167170158e+00 -3.167170158e+00 2.90 -3.123021845e+00 -3.123021845e+00 2.92 -3.075771097e+00 -3.075771097e+00 2.94 -3.025794312e+00 -3.025794312e+00 2.96 -2.973453412e+00 -2.973453412e+00 2.98 -2.919086210e+00 -2.919086210e+00 3.00 -2.863000892e+00 -2.863000892e+00 3.02 -2.805474955e+00 -2.805474955e+00 3.04 -2.746757633e+00 -2.746757633e+00 3.06 -2.687073961e+00 -2.687073961e+00 3.08 -2.626628625e+00 -2.626628625e+00 3.10 -2.565608571e+00 -2.565608571e+00 3.12 -2.504184438e+00 -2.504184438e+00 3.14 -2.442511712e+00 -2.442511712e+00 3.16 -2.380732612e+00 -2.380732612e+00 3.18 -2.318979306e+00 -2.318979306e+00 3.20 -2.257378234e+00 -2.257378234e+00 3.22 -2.196054720e+00 -2.196054720e+00 3.24 -2.135136800e+00 -2.135136800e+00 3.26 -2.074757329e+00 -2.074757329e+00 3.28 -2.015053871e+00 -2.015053871e+00 3.30 -1.956166357e+00 -1.956166357e+00 3.32 -1.898232965e+00 -1.898232965e+00 3.34 -1.841384985e+00 -1.841384985e+00 3.36 -1.785741534e+00 -1.785741534e+00 3.38 -1.731404931e+00 -1.731404931e+00 3.40 -1.678457333e+00 -1.678457333e+00 3.42 -1.626958946e+00 -1.626958946e+00 3.44 -1.576947842e+00 -1.576947842e+00 3.46 -1.528441182e+00 -1.528441182e+00 3.48 -1.481437479e+00 -1.481437479e+00 3.50 -1.435919490e+00 -1.435919490e+00 3.52 -1.391857353e+00 -1.391857353e+00 3.54 -1.349211643e+00 -1.349211643e+00 3.56 -1.307936129e+00 -1.307936129e+00 3.58 -1.267980099e+00 -1.267980099e+00 3.60 -1.229290223e+00 -1.229290223e+00 3.62 -1.191811965e+00 -1.191811965e+00 3.64 -1.155490589e+00 -1.155490589e+00 3.66 -1.120271865e+00 -1.120271865e+00 3.68 -1.086102524e+00 -1.086102524e+00 3.70 -1.052930569e+00 -1.052930569e+00 3.72 -1.020705482e+00 -1.020705482e+00 3.74 -9.893783991e-01 -9.893783991e-01 3.76 -9.589022714e-01 -9.589022714e-01 3.78 -9.292320312e-01 -9.292320312e-01 3.80 -9.003247696e-01 -9.003247696e-01 3.82 -8.721399154e-01 -8.721399154e-01 3.84 -8.446394056e-01 -8.446394056e-01 3.86 -8.177878395e-01 -8.177878395e-01 3.88 -7.915526114e-01 -7.915526114e-01 3.90 -7.659040277e-01 -7.659040277e-01 3.92 -7.408154194e-01 -7.408154194e-01 3.94 -7.162632698e-01 -7.162632698e-01 3.96 -6.922273594e-01 -6.922273594e-01 3.98 -6.686909493e-01 -6.686909493e-01 4.00 -6.456409786e-01 -6.456409786e-01 4.02 -6.230682510e-01 -6.230682510e-01 4.04 -6.009675602e-01 -6.009675602e-01 4.06 -5.793376911e-01 -5.793376911e-01 4.08 -5.581812363e-01 -5.581812363e-01 4.10 -5.375041796e-01 -5.375041796e-01 4.12 -5.173152504e-01 -5.173152504e-01 4.14 -4.976250461e-01 -4.976250461e-01 4.16 -4.784450546e-01 -4.784450546e-01 4.18 -4.597866505e-01 -4.597866505e-01 4.20 -4.416602016e-01 -4.416602016e-01 4.22 -4.240743796e-01 -4.240743796e-01 4.24 -4.070357207e-01 -4.070357207e-01 4.26 -3.905484232e-01 -3.905484232e-01 4.28 -3.746143111e-01 -3.746143111e-01 4.30 -3.592328660e-01 -3.592328660e-01 4.32 -3.444012295e-01 -3.444012295e-01 4.34 -3.301141102e-01 -3.301141102e-01 4.36 -3.163635810e-01 -3.163635810e-01 4.38 -3.031388025e-01 -3.031388025e-01 4.40 -2.904257472e-01 -2.904257472e-01 4.42 -2.782070151e-01 -2.782070151e-01 4.44 -2.664618200e-01 -2.664618200e-01 4.46 -2.551661959e-01 -2.551661959e-01 4.48 -2.442934349e-01 -2.442934349e-01 4.50 -2.338147331e-01 -2.338147331e-01 4.52 -2.236999920e-01 -2.236999920e-01 4.54 -2.139187118e-01 -2.139187118e-01 4.56 -2.044409110e-01 -2.044409110e-01 4.58 -1.952380156e-01 -1.952380156e-01 4.60 -1.862836696e-01 -1.862836696e-01 4.62 -1.775544332e-01 -1.775544332e-01 4.64 -1.690303408e-01 -1.690303408e-01 4.66 -1.606952982e-01 -1.606952982e-01 4.68 -1.525373061e-01 -1.525373061e-01 4.70 -1.445484984e-01 -1.445484984e-01 4.72 -1.367249957e-01 -1.367249957e-01 4.74 -1.290665859e-01 -1.290665859e-01 4.76 -1.215762560e-01 -1.215762560e-01 4.78 -1.142596162e-01 -1.142596162e-01 4.80 -1.071242694e-01 -1.071242694e-01 4.82 -1.001791904e-01 -1.001791904e-01 4.84 -9.343415067e-02 -9.343415067e-02 4.86 -8.689925843e-02 -8.689925843e-02 4.88 -8.058461610e-02 -8.058461610e-02 4.90 -7.450009603e-02 -7.450009603e-02 4.92 -6.865520660e-02 -6.865520660e-02 4.94 -6.305872889e-02 -6.305872889e-02 4.96 -5.771901551e-02 -5.771901551e-02 4.98 -5.264423041e-02 -5.264423041e-02 5.00 -4.784152794e-02 -4.784152794e-02 5.02 -4.331680745e-02 -4.331680745e-02 5.04 -3.907441286e-02 -3.907441286e-02 5.06 -3.511680713e-02 -3.511680713e-02 5.08 -3.144426680e-02 -3.144426680e-02 5.10 -2.805464897e-02 -2.805464897e-02 5.12 -2.494326410e-02 -2.494326410e-02 5.14 -2.210287845e-02 -2.210287845e-02 5.16 -1.952385533e-02 -1.952385533e-02 5.18 -1.719441863e-02 -1.719441863e-02 5.20 -1.510084229e-02 -1.510084229e-02 5.22 -1.322794171e-02 -1.322794171e-02 5.24 -1.156016702e-02 -1.156016702e-02 5.26 -1.008139331e-02 -1.008139331e-02 5.28 -8.775328629e-03 -8.775328629e-03 5.30 -7.625894812e-03 -7.625894812e-03 5.32 -6.617536721e-03 -6.617536721e-03 5.34 -5.735458160e-03 -5.735458160e-03 5.36 -4.965788185e-03 -4.965788185e-03 5.38 -4.295685369e-03 -4.295685369e-03 5.40 -3.713389605e-03 -3.713389605e-03 5.42 -3.208231630e-03 -3.208231630e-03 5.44 -2.770610140e-03 -2.770610140e-03 5.46 -2.391945412e-03 -2.391945412e-03 5.48 -2.064617055e-03 -2.064617055e-03 5.50 -1.781892159e-03 -1.781892159e-03 5.52 -1.537848776e-03 -1.537848776e-03 5.54 -1.327298442e-03 -1.327298442e-03 5.56 -1.145710444e-03 -1.145710444e-03 5.58 -9.891396770e-04 -9.891396770e-04 5.60 -8.541592417e-04 -8.541592417e-04 5.62 -7.377984617e-04 -7.377984617e-04 5.64 -6.374865646e-04 -6.374865646e-04 5.66 -5.510020302e-04 -5.510020302e-04 5.68 -4.764274074e-04 -4.764274074e-04 5.70 -4.121092848e-04 -4.121092848e-04 5.72 -3.566230263e-04 -3.566230263e-04 5.74 -3.087418532e-04 -3.087418532e-04 5.76 -2.674098436e-04 -2.674098436e-04 5.78 -2.317184306e-04 -2.317184306e-04 5.80 -2.008860048e-04 -2.008860048e-04 5.82 -1.742402494e-04 -1.742402494e-04 5.84 -1.512028741e-04 -1.512028741e-04 5.86 -1.312764410e-04 -1.312764410e-04 5.88 -1.140330122e-04 -1.140330122e-04 5.90 -9.910437680e-05 -9.910437680e-05 5.92 -8.617364551e-05 -8.617364551e-05 5.94 -7.496802559e-05 -7.496802559e-05 5.96 -6.525261431e-05 -6.525261431e-05 5.98 -5.682506894e-05 -5.682506894e-05 6.00 -4.951103088e-05 -4.951103088e-05