# 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 = Mg2MoNi # 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 3.160234132e+02 3.160234132e+02 1.30 2.923708529e+02 2.923708529e+02 1.32 2.705290666e+02 2.705290666e+02 1.34 2.503468356e+02 2.503468356e+02 1.36 2.316849217e+02 2.316849217e+02 1.38 2.144164700e+02 2.144164700e+02 1.40 1.984268989e+02 1.984268989e+02 1.42 1.836133013e+02 1.836133013e+02 1.44 1.698833958e+02 1.698833958e+02 1.46 1.571540618e+02 1.571540618e+02 1.48 1.453497812e+02 1.453497812e+02 1.50 1.344014047e+02 1.344014047e+02 1.52 1.242454669e+02 1.242454669e+02 1.54 1.148238754e+02 1.148238754e+02 1.56 1.060835869e+02 1.060835869e+02 1.58 9.797604879e+01 9.797604879e+01 1.60 9.045654451e+01 9.045654451e+01 1.62 8.348412393e+01 8.348412393e+01 1.64 7.702267030e+01 7.702267030e+01 1.66 7.103641880e+01 7.103641880e+01 1.68 6.549149124e+01 6.549149124e+01 1.70 6.035570921e+01 6.035570921e+01 1.72 5.559901635e+01 5.559901635e+01 1.74 5.119300670e+01 5.119300670e+01 1.76 4.711079269e+01 4.711079269e+01 1.78 4.332708123e+01 4.332708123e+01 1.80 3.981834896e+01 3.981834896e+01 1.82 3.656304516e+01 3.656304516e+01 1.84 3.354171782e+01 3.354171782e+01 1.86 3.073700735e+01 3.073700735e+01 1.88 2.813347430e+01 2.813347430e+01 1.90 2.571730962e+01 2.571730962e+01 1.92 2.347599985e+01 2.347599985e+01 1.94 2.139802429e+01 2.139802429e+01 1.96 1.947262965e+01 1.947262965e+01 1.98 1.768969303e+01 1.768969303e+01 2.00 1.603964338e+01 1.603964338e+01 2.02 1.451340503e+01 1.451340503e+01 2.04 1.310234721e+01 1.310234721e+01 2.06 1.179824108e+01 1.179824108e+01 2.08 1.059323489e+01 1.059323489e+01 2.10 9.479859290e+00 9.479859290e+00 2.12 8.451061686e+00 8.451061686e+00 2.14 7.500257983e+00 7.500257983e+00 2.16 6.621381903e+00 6.621381903e+00 2.18 5.808907321e+00 5.808907321e+00 2.20 5.057835855e+00 5.057835855e+00 2.22 4.363649749e+00 4.363649749e+00 2.24 3.722249389e+00 3.722249389e+00 2.26 3.129890111e+00 3.129890111e+00 2.28 2.583148178e+00 2.583148178e+00 2.30 2.078987328e+00 2.078987328e+00 2.32 1.614265382e+00 1.614265382e+00 2.34 1.186017212e+00 1.186017212e+00 2.36 7.915093278e-01 7.915093278e-01 2.38 4.282268926e-01 4.282268926e-01 2.40 9.386974381e-02 9.386974381e-02 2.42 -2.136546842e-01 -2.136546842e-01 2.44 -4.961552324e-01 -4.961552324e-01 2.46 -7.551182182e-01 -7.551182182e-01 2.48 -9.919333947e-01 -9.919333947e-01 2.50 -1.207923339e+00 -1.207923339e+00 2.52 -1.404348118e+00 -1.404348118e+00 2.54 -1.582405740e+00 -1.582405740e+00 2.56 -1.743231248e+00 -1.743231248e+00 2.58 -1.887897066e+00 -1.887897066e+00 2.60 -2.017415760e+00 -2.017415760e+00 2.62 -2.132737842e+00 -2.132737842e+00 2.64 -2.234655257e+00 -2.234655257e+00 2.66 -2.323849392e+00 -2.323849392e+00 2.68 -2.400996288e+00 -2.400996288e+00 2.70 -2.466770239e+00 -2.466770239e+00 2.72 -2.521843563e+00 -2.521843563e+00 2.74 -2.566883848e+00 -2.566883848e+00 2.76 -2.602548174e+00 -2.602548174e+00 2.78 -2.629474869e+00 -2.629474869e+00 2.80 -2.648276314e+00 -2.648276314e+00 2.82 -2.659531744e+00 -2.659531744e+00 2.84 -2.663787422e+00 -2.663787422e+00 2.86 -2.661560581e+00 -2.661560581e+00 2.88 -2.653347772e+00 -2.653347772e+00 2.90 -2.639635059e+00 -2.639635059e+00 2.92 -2.620907478e+00 -2.620907478e+00 2.94 -2.597655545e+00 -2.597655545e+00 2.96 -2.570377373e+00 -2.570377373e+00 2.98 -2.539575837e+00 -2.539575837e+00 3.00 -2.505751150e+00 -2.505751150e+00 3.02 -2.469390059e+00 -2.469390059e+00 3.04 -2.430953129e+00 -2.430953129e+00 3.06 -2.390863730e+00 -2.390863730e+00 3.08 -2.349496356e+00 -2.349496356e+00 3.10 -2.307171409e+00 -2.307171409e+00 3.12 -2.264151963e+00 -2.264151963e+00 3.14 -2.220647397e+00 -2.220647397e+00 3.16 -2.176815004e+00 -2.176815004e+00 3.18 -2.132769713e+00 -2.132769713e+00 3.20 -2.088592238e+00 -2.088592238e+00 3.22 -2.044355226e+00 -2.044355226e+00 3.24 -2.000133961e+00 -2.000133961e+00 3.26 -1.955897423e+00 -1.955897423e+00 3.28 -1.911613791e+00 -1.911613791e+00 3.30 -1.867264242e+00 -1.867264242e+00 3.32 -1.822846033e+00 -1.822846033e+00 3.34 -1.778367962e+00 -1.778367962e+00 3.36 -1.733732868e+00 -1.733732868e+00 3.38 -1.688765692e+00 -1.688765692e+00 3.40 -1.643346185e+00 -1.643346185e+00 3.42 -1.597417223e+00 -1.597417223e+00 3.44 -1.550985259e+00 -1.550985259e+00 3.46 -1.504118348e+00 -1.504118348e+00 3.48 -1.456939778e+00 -1.456939778e+00 3.50 -1.409617937e+00 -1.409617937e+00 3.52 -1.362353138e+00 -1.362353138e+00 3.54 -1.315362772e+00 -1.315362772e+00 3.56 -1.268866407e+00 -1.268866407e+00 3.58 -1.223072352e+00 -1.223072352e+00 3.60 -1.178166851e+00 -1.178166851e+00 3.62 -1.134306591e+00 -1.134306591e+00 3.64 -1.091614689e+00 -1.091614689e+00 3.66 -1.050179910e+00 -1.050179910e+00 3.68 -1.010058559e+00 -1.010058559e+00 3.70 -9.712783864e-01 -9.712783864e-01 3.72 -9.338437702e-01 -9.338437702e-01 3.74 -8.977415410e-01 -8.977415410e-01 3.76 -8.629468565e-01 -8.629468565e-01 3.78 -8.294286500e-01 -8.294286500e-01 3.80 -7.971542435e-01 -7.971542435e-01 3.82 -7.660928042e-01 -7.660928042e-01 3.84 -7.362174199e-01 -7.362174199e-01 3.86 -7.075057073e-01 -7.075057073e-01 3.88 -6.799390425e-01 -6.799390425e-01 3.90 -6.535007001e-01 -6.535007001e-01 3.92 -6.281731353e-01 -6.281731353e-01 3.94 -6.039363261e-01 -6.039363261e-01 3.96 -5.807641380e-01 -5.807641380e-01 3.98 -5.586240080e-01 -5.586240080e-01 4.00 -5.374762757e-01 -5.374762757e-01 4.02 -5.172747101e-01 -5.172747101e-01 4.04 -4.979677372e-01 -4.979677372e-01 4.06 -4.795000727e-01 -4.795000727e-01 4.08 -4.618144697e-01 -4.618144697e-01 4.10 -4.448526875e-01 -4.448526875e-01 4.12 -4.285596443e-01 -4.285596443e-01 4.14 -4.128800673e-01 -4.128800673e-01 4.16 -3.977623457e-01 -3.977623457e-01 4.18 -3.831581803e-01 -3.831581803e-01 4.20 -3.690228765e-01 -3.690228765e-01 4.22 -3.553155255e-01 -3.553155255e-01 4.24 -3.419991444e-01 -3.419991444e-01 4.26 -3.290408289e-01 -3.290408289e-01 4.28 -3.164119562e-01 -3.164119562e-01 4.30 -3.040884538e-01 -3.040884538e-01 4.32 -2.920511249e-01 -2.920511249e-01 4.34 -2.802859980e-01 -2.802859980e-01 4.36 -2.687846450e-01 -2.687846450e-01 4.38 -2.575443901e-01 -2.575443901e-01 4.40 -2.465683236e-01 -2.465683236e-01 4.42 -2.358650344e-01 -2.358650344e-01 4.44 -2.254479951e-01 -2.254479951e-01 4.46 -2.153345737e-01 -2.153345737e-01 4.48 -2.055446961e-01 -2.055446961e-01 4.50 -1.960992471e-01 -1.960992471e-01 4.52 -1.870183493e-01 -1.870183493e-01 4.54 -1.783196924e-01 -1.783196924e-01 4.56 -1.700170897e-01 -1.700170897e-01 4.58 -1.621194069e-01 -1.621194069e-01 4.60 -1.546299540e-01 -1.546299540e-01 4.62 -1.475463605e-01 -1.475463605e-01 4.64 -1.408608911e-01 -1.408608911e-01 4.66 -1.345611064e-01 -1.345611064e-01 4.68 -1.286307503e-01 -1.286307503e-01 4.70 -1.230507444e-01 -1.230507444e-01 4.72 -1.178001671e-01 -1.178001671e-01 4.74 -1.128571534e-01 -1.128571534e-01 4.76 -1.081996729e-01 -1.081996729e-01 4.78 -1.038061394e-01 -1.038061394e-01 4.80 -9.965545571e-02 -9.965545571e-02 4.82 -9.572902240e-02 -9.572902240e-02 4.84 -9.200824409e-02 -9.200824409e-02 4.86 -8.847648734e-02 -8.847648734e-02 4.88 -8.511859155e-02 -8.511859155e-02 4.90 -8.192076530e-02 -8.192076530e-02 4.92 -7.887027684e-02 -7.887027684e-02 4.94 -7.595605813e-02 -7.595605813e-02 4.96 -7.316820915e-02 -7.316820915e-02 4.98 -7.049780264e-02 -7.049780264e-02 5.00 -6.793678298e-02 -6.793678298e-02 5.02 -6.547786872e-02 -6.547786872e-02 5.04 -6.311446175e-02 -6.311446175e-02 5.06 -6.084056497e-02 -6.084056497e-02 5.08 -5.865070939e-02 -5.865070939e-02 5.10 -5.653989086e-02 -5.653989086e-02 5.12 -5.450351643e-02 -5.450351643e-02 5.14 -5.253736051e-02 -5.253736051e-02 5.16 -5.063752997e-02 -5.063752997e-02 5.18 -4.880043747e-02 -4.880043747e-02 5.20 -4.702278309e-02 -4.702278309e-02 5.22 -4.530154341e-02 -4.530154341e-02 5.24 -4.363396710e-02 -4.363396710e-02 5.26 -4.201757605e-02 -4.201757605e-02 5.28 -4.045017061e-02 -4.045017061e-02 5.30 -3.892983696e-02 -3.892983696e-02 5.32 -3.745495453e-02 -3.745495453e-02 5.34 -3.602420074e-02 -3.602420074e-02 5.36 -3.463655028e-02 -3.463655028e-02 5.38 -3.329126505e-02 -3.329126505e-02 5.40 -3.198787366e-02 -3.198787366e-02 5.42 -3.072613812e-02 -3.072613812e-02 5.44 -2.950600696e-02 -2.950600696e-02 5.46 -2.832755612e-02 -2.832755612e-02 5.48 -2.719092050e-02 -2.719092050e-02 5.50 -2.609622086e-02 -2.609622086e-02 5.52 -2.504349159e-02 -2.504349159e-02 5.54 -2.403261551e-02 -2.403261551e-02 5.56 -2.306327104e-02 -2.306327104e-02 5.58 -2.213489600e-02 -2.213489600e-02 5.60 -2.124667007e-02 -2.124667007e-02 5.62 -2.039751594e-02 -2.039751594e-02 5.64 -1.958611701e-02 -1.958611701e-02 5.66 -1.881094823e-02 -1.881094823e-02 5.68 -1.807031574e-02 -1.807031574e-02 5.70 -1.736240073e-02 -1.736240073e-02 5.72 -1.668530370e-02 -1.668530370e-02 5.74 -1.603708533e-02 -1.603708533e-02 5.76 -1.541577048e-02 -1.541577048e-02 5.78 -1.481943127e-02 -1.481943127e-02 5.80 -1.424621288e-02 -1.424621288e-02 5.82 -1.369432738e-02 -1.369432738e-02 5.84 -1.316206570e-02 -1.316206570e-02 5.86 -1.264780524e-02 -1.264780524e-02 5.88 -1.215001408e-02 -1.215001408e-02 5.90 -1.166725286e-02 -1.166725286e-02 5.92 -1.119817551e-02 -1.119817551e-02 5.94 -1.074152947e-02 -1.074152947e-02 5.96 -1.029615628e-02 -1.029615628e-02 5.98 -9.860993141e-03 -9.860993141e-03 6.00 -9.435075683e-03 -9.435075683e-03