# 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 = Al2CuPb # 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 1.495995528e+02 1.495995528e+02 1.30 1.394420619e+02 1.394420619e+02 1.32 1.299947799e+02 1.299947799e+02 1.34 1.212039403e+02 1.212039403e+02 1.36 1.130186714e+02 1.130186714e+02 1.38 1.053913685e+02 1.053913685e+02 1.40 9.827829554e+01 9.827829554e+01 1.42 9.163984382e+01 9.163984382e+01 1.44 8.544020834e+01 8.544020834e+01 1.46 7.964680882e+01 7.964680882e+01 1.48 7.422992737e+01 7.422992737e+01 1.50 6.916256096e+01 6.916256096e+01 1.52 6.442019676e+01 6.442019676e+01 1.54 5.998033629e+01 5.998033629e+01 1.56 5.582194493e+01 5.582194493e+01 1.58 5.192511981e+01 5.192511981e+01 1.60 4.827207959e+01 4.827207959e+01 1.62 4.485155111e+01 4.485155111e+01 1.64 4.164900972e+01 4.164900972e+01 1.66 3.865319113e+01 3.865319113e+01 1.68 3.585172903e+01 3.585172903e+01 1.70 3.323294218e+01 3.323294218e+01 1.72 3.078596028e+01 3.078596028e+01 1.74 2.850032176e+01 2.850032176e+01 1.76 2.636568662e+01 2.636568662e+01 1.78 2.437177195e+01 2.437177195e+01 1.80 2.250853878e+01 2.250853878e+01 1.82 2.076650962e+01 2.076650962e+01 1.84 1.913702077e+01 1.913702077e+01 1.86 1.761228955e+01 1.761228955e+01 1.88 1.618532485e+01 1.618532485e+01 1.90 1.484975263e+01 1.484975263e+01 1.92 1.359965349e+01 1.359965349e+01 1.94 1.242945988e+01 1.242945988e+01 1.96 1.133393028e+01 1.133393028e+01 1.98 1.030817808e+01 1.030817808e+01 2.00 9.347708108e+00 9.347708108e+00 2.02 8.448427941e+00 8.448427941e+00 2.04 7.606621414e+00 7.606621414e+00 2.06 6.818892583e+00 6.818892583e+00 2.08 6.082094472e+00 6.082094472e+00 2.10 5.393265822e+00 5.393265822e+00 2.12 4.749584472e+00 4.749584472e+00 2.14 4.148345966e+00 4.148345966e+00 2.16 3.586964076e+00 3.586964076e+00 2.18 3.062985094e+00 3.062985094e+00 2.20 2.574103969e+00 2.574103969e+00 2.22 2.118175340e+00 2.118175340e+00 2.24 1.693211104e+00 1.693211104e+00 2.26 1.297366150e+00 1.297366150e+00 2.28 9.289144015e-01 9.289144015e-01 2.30 5.862337808e-01 5.862337808e-01 2.32 2.677905703e-01 2.677905703e-01 2.34 -2.785699143e-02 -2.785699143e-02 2.36 -3.020533988e-01 -3.020533988e-01 2.38 -5.560378195e-01 -5.560378195e-01 2.40 -7.909441213e-01 -7.909441213e-01 2.42 -1.007812204e+00 -1.007812204e+00 2.44 -1.207609125e+00 -1.207609125e+00 2.46 -1.391253996e+00 -1.391253996e+00 2.48 -1.559640405e+00 -1.559640405e+00 2.50 -1.713652194e+00 -1.713652194e+00 2.52 -1.854172321e+00 -1.854172321e+00 2.54 -1.982087400e+00 -1.982087400e+00 2.56 -2.098290698e+00 -2.098290698e+00 2.58 -2.203683577e+00 -2.203683577e+00 2.60 -2.299171783e+00 -2.299171783e+00 2.62 -2.385651669e+00 -2.385651669e+00 2.64 -2.463987681e+00 -2.463987681e+00 2.66 -2.535073479e+00 -2.535073479e+00 2.68 -2.599740464e+00 -2.599740464e+00 2.70 -2.659085143e+00 -2.659085143e+00 2.72 -2.713932501e+00 -2.713932501e+00 2.74 -2.764150228e+00 -2.764150228e+00 2.76 -2.809636470e+00 -2.809636470e+00 2.78 -2.850312646e+00 -2.850312646e+00 2.80 -2.886119027e+00 -2.886119027e+00 2.82 -2.917010712e+00 -2.917010712e+00 2.84 -2.942963164e+00 -2.942963164e+00 2.86 -2.963979641e+00 -2.963979641e+00 2.88 -2.980083675e+00 -2.980083675e+00 2.90 -2.991336554e+00 -2.991336554e+00 2.92 -2.997830315e+00 -2.997830315e+00 2.94 -2.999685072e+00 -2.999685072e+00 2.96 -2.997056671e+00 -2.997056671e+00 2.98 -2.990144232e+00 -2.990144232e+00 3.00 -2.979196520e+00 -2.979196520e+00 3.02 -2.964515190e+00 -2.964515190e+00 3.04 -2.946452003e+00 -2.946452003e+00 3.06 -2.925401918e+00 -2.925401918e+00 3.08 -2.901782521e+00 -2.901782521e+00 3.10 -2.876014857e+00 -2.876014857e+00 3.12 -2.848498749e+00 -2.848498749e+00 3.14 -2.819594780e+00 -2.819594780e+00 3.16 -2.789606619e+00 -2.789606619e+00 3.18 -2.758779249e+00 -2.758779249e+00 3.20 -2.727317578e+00 -2.727317578e+00 3.22 -2.695342476e+00 -2.695342476e+00 3.24 -2.662921426e+00 -2.662921426e+00 3.26 -2.630089168e+00 -2.630089168e+00 3.28 -2.596856670e+00 -2.596856670e+00 3.30 -2.563219367e+00 -2.563219367e+00 3.32 -2.529164432e+00 -2.529164432e+00 3.34 -2.494676949e+00 -2.494676949e+00 3.36 -2.459744910e+00 -2.459744910e+00 3.38 -2.424362952e+00 -2.424362952e+00 3.40 -2.388534398e+00 -2.388534398e+00 3.42 -2.352270359e+00 -2.352270359e+00 3.44 -2.315589723e+00 -2.315589723e+00 3.46 -2.278522146e+00 -2.278522146e+00 3.48 -2.241106329e+00 -2.241106329e+00 3.50 -2.203388033e+00 -2.203388033e+00 3.52 -2.165417910e+00 -2.165417910e+00 3.54 -2.127249369e+00 -2.127249369e+00 3.56 -2.088936656e+00 -2.088936656e+00 3.58 -2.050533265e+00 -2.050533265e+00 3.60 -2.012090767e+00 -2.012090767e+00 3.62 -1.973658069e+00 -1.973658069e+00 3.64 -1.935281101e+00 -1.935281101e+00 3.66 -1.897002848e+00 -1.897002848e+00 3.68 -1.858863654e+00 -1.858863654e+00 3.70 -1.820901692e+00 -1.820901692e+00 3.72 -1.783153468e+00 -1.783153468e+00 3.74 -1.745654268e+00 -1.745654268e+00 3.76 -1.708438437e+00 -1.708438437e+00 3.78 -1.671539420e+00 -1.671539420e+00 3.80 -1.634989524e+00 -1.634989524e+00 3.82 -1.598819359e+00 -1.598819359e+00 3.84 -1.563057008e+00 -1.563057008e+00 3.86 -1.527726957e+00 -1.527726957e+00 3.88 -1.492848921e+00 -1.492848921e+00 3.90 -1.458436705e+00 -1.458436705e+00 3.92 -1.424496944e+00 -1.424496944e+00 3.94 -1.391029862e+00 -1.391029862e+00 3.96 -1.358027024e+00 -1.358027024e+00 3.98 -1.325473155e+00 -1.325473155e+00 4.00 -1.293346509e+00 -1.293346509e+00 4.02 -1.261619965e+00 -1.261619965e+00 4.04 -1.230262371e+00 -1.230262371e+00 4.06 -1.199240031e+00 -1.199240031e+00 4.08 -1.168518300e+00 -1.168518300e+00 4.10 -1.138062185e+00 -1.138062185e+00 4.12 -1.107842543e+00 -1.107842543e+00 4.14 -1.077830917e+00 -1.077830917e+00 4.16 -1.048006338e+00 -1.048006338e+00 4.18 -1.018355929e+00 -1.018355929e+00 4.20 -9.888767060e-01 -9.888767060e-01 4.22 -9.595771290e-01 -9.595771290e-01 4.24 -9.304781844e-01 -9.304781844e-01 4.26 -9.016138084e-01 -9.016138084e-01 4.28 -8.730304572e-01 -8.730304572e-01 4.30 -8.447857177e-01 -8.447857177e-01 4.32 -8.169459571e-01 -8.169459571e-01 4.34 -7.895831421e-01 -7.895831421e-01 4.36 -7.627710802e-01 -7.627710802e-01 4.38 -7.365814220e-01 -7.365814220e-01 4.40 -7.110797915e-01 -7.110797915e-01 4.42 -6.863223805e-01 -6.863223805e-01 4.44 -6.623532597e-01 -6.623532597e-01 4.46 -6.392025521e-01 -6.392025521e-01 4.48 -6.168855052e-01 -6.168855052e-01 4.50 -5.954024123e-01 -5.954024123e-01 4.52 -5.747392689e-01 -5.747392689e-01 4.54 -5.548690182e-01 -5.548690182e-01 4.56 -5.357532279e-01 -5.357532279e-01 4.58 -5.173440426e-01 -5.173440426e-01 4.60 -4.995862725e-01 -4.995862725e-01 4.62 -4.824194990e-01 -4.824194990e-01 4.64 -4.657801081e-01 -4.657801081e-01 4.66 -4.496031918e-01 -4.496031918e-01 4.68 -4.338242893e-01 -4.338242893e-01 4.70 -4.183809661e-01 -4.183809661e-01 4.72 -4.032142501e-01 -4.032142501e-01 4.74 -3.882699514e-01 -3.882699514e-01 4.76 -3.734998978e-01 -3.734998978e-01 4.78 -3.588631050e-01 -3.588631050e-01 4.80 -3.443261709e-01 -3.443261709e-01 4.82 -3.298672706e-01 -3.298672706e-01 4.84 -3.154724165e-01 -3.154724165e-01 4.86 -3.011393818e-01 -3.011393818e-01 4.88 -2.868772533e-01 -2.868772533e-01 4.90 -2.727064364e-01 -2.727064364e-01 4.92 -2.586581705e-01 -2.586581705e-01 4.94 -2.447734885e-01 -2.447734885e-01 4.96 -2.311015999e-01 -2.311015999e-01 4.98 -2.176977366e-01 -2.176977366e-01 5.00 -2.046205663e-01 -2.046205663e-01 5.02 -1.919293434e-01 -1.919293434e-01 5.04 -1.796810081e-01 -1.796810081e-01 5.06 -1.679274647e-01 -1.679274647e-01 5.08 -1.567132543e-01 -1.567132543e-01 5.10 -1.460737918e-01 -1.460737918e-01 5.12 -1.360342694e-01 -1.360342694e-01 5.14 -1.266092551e-01 -1.266092551e-01 5.16 -1.178029372e-01 -1.178029372e-01 5.18 -1.096099105e-01 -1.096099105e-01 5.20 -1.020163652e-01 -1.020163652e-01 5.22 -9.500151999e-02 -9.500151999e-02 5.24 -8.853915119e-02 -8.853915119e-02 5.26 -8.259910797e-02 -8.259910797e-02 5.28 -7.714870677e-02 -7.714870677e-02 5.30 -7.215393946e-02 -7.215393946e-02 5.32 -6.758047467e-02 -6.758047467e-02 5.34 -6.339444990e-02 -6.339444990e-02 5.36 -5.956305568e-02 -5.956305568e-02 5.38 -5.605439949e-02 -5.605439949e-02 5.40 -5.283900210e-02 -5.283900210e-02 5.42 -4.988959885e-02 -4.988959885e-02 5.44 -4.718066167e-02 -4.718066167e-02 5.46 -4.468837786e-02 -4.468837786e-02 5.48 -4.239099831e-02 -4.239099831e-02 5.50 -4.026860598e-02 -4.026860598e-02 5.52 -3.830299033e-02 -3.830299033e-02 5.54 -3.647757145e-02 -3.647757145e-02 5.56 -3.477730770e-02 -3.477730770e-02 5.58 -3.318859422e-02 -3.318859422e-02 5.60 -3.169915793e-02 -3.169915793e-02 5.62 -3.029795262e-02 -3.029795262e-02 5.64 -2.897505574e-02 -2.897505574e-02 5.66 -2.772157187e-02 -2.772157187e-02 5.68 -2.652954186e-02 -2.652954186e-02 5.70 -2.539185929e-02 -2.539185929e-02 5.72 -2.430219514e-02 -2.430219514e-02 5.74 -2.325493088e-02 -2.325493088e-02 5.76 -2.224510039e-02 -2.224510039e-02 5.78 -2.126834029e-02 -2.126834029e-02 5.80 -2.032084858e-02 -2.032084858e-02 5.82 -1.939935071e-02 -1.939935071e-02 5.84 -1.850107232e-02 -1.850107232e-02 5.86 -1.762371744e-02 -1.762371744e-02 5.88 -1.676545083e-02 -1.676545083e-02 5.90 -1.592488265e-02 -1.592488265e-02 5.92 -1.510105387e-02 -1.510105387e-02 5.94 -1.429340320e-02 -1.429340320e-02 5.96 -1.350168573e-02 -1.350168573e-02 5.98 -1.272613257e-02 -1.272613257e-02 6.00 -1.196733386e-02 -1.196733386e-02