# 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 = AlCuPd2 # 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 1.822805404e+02 1.822805404e+02 1.30 1.687647924e+02 1.687647924e+02 1.32 1.562341960e+02 1.562341960e+02 1.34 1.446138803e+02 1.446138803e+02 1.36 1.338335609e+02 1.338335609e+02 1.38 1.238262614e+02 1.238262614e+02 1.40 1.145286270e+02 1.145286270e+02 1.42 1.058819451e+02 1.058819451e+02 1.44 9.783334407e+01 9.783334407e+01 1.46 9.033676821e+01 9.033676821e+01 1.48 8.335281120e+01 8.335281120e+01 1.50 7.684690476e+01 7.684690476e+01 1.52 7.078677791e+01 7.078677791e+01 1.54 6.514073239e+01 6.514073239e+01 1.56 5.987734607e+01 5.987734607e+01 1.58 5.496613268e+01 5.496613268e+01 1.60 5.037880274e+01 5.037880274e+01 1.62 4.611308285e+01 4.611308285e+01 1.64 4.215892407e+01 4.215892407e+01 1.66 3.849498383e+01 3.849498383e+01 1.68 3.510282562e+01 3.510282562e+01 1.70 3.196462262e+01 3.196462262e+01 1.72 2.906342152e+01 2.906342152e+01 1.74 2.638269628e+01 2.638269628e+01 1.76 2.390638874e+01 2.390638874e+01 1.78 2.161917896e+01 2.161917896e+01 1.80 1.950673716e+01 1.950673716e+01 1.82 1.755584341e+01 1.755584341e+01 1.84 1.575436137e+01 1.575436137e+01 1.86 1.409109451e+01 1.409109451e+01 1.88 1.255559194e+01 1.255559194e+01 1.90 1.113800175e+01 1.113800175e+01 1.92 9.829049116e+00 9.829049116e+00 1.94 8.620138032e+00 8.620138032e+00 1.96 7.503494008e+00 7.503494008e+00 1.98 6.472238577e+00 6.472238577e+00 2.00 5.520333365e+00 5.520333365e+00 2.02 4.642414472e+00 4.642414472e+00 2.04 3.833593378e+00 3.833593378e+00 2.06 3.089295608e+00 3.089295608e+00 2.08 2.405166738e+00 2.405166738e+00 2.10 1.777038809e+00 1.777038809e+00 2.12 1.200935209e+00 1.200935209e+00 2.14 6.730924656e-01 6.730924656e-01 2.16 1.899835208e-01 1.899835208e-01 2.18 -2.516655450e-01 -2.516655450e-01 2.20 -6.548679853e-01 -6.548679853e-01 2.22 -1.022378520e+00 -1.022378520e+00 2.24 -1.356705309e+00 -1.356705309e+00 2.26 -1.660131702e+00 -1.660131702e+00 2.28 -1.934746286e+00 -1.934746286e+00 2.30 -2.182477180e+00 -2.182477180e+00 2.32 -2.405124508e+00 -2.405124508e+00 2.34 -2.604384772e+00 -2.604384772e+00 2.36 -2.781864873e+00 -2.781864873e+00 2.38 -2.939088654e+00 -2.939088654e+00 2.40 -3.077502239e+00 -3.077502239e+00 2.42 -3.198483284e+00 -3.198483284e+00 2.44 -3.303354826e+00 -3.303354826e+00 2.46 -3.393399712e+00 -3.393399712e+00 2.48 -3.469868969e+00 -3.469868969e+00 2.50 -3.533978864e+00 -3.533978864e+00 2.52 -3.586896880e+00 -3.586896880e+00 2.54 -3.629723527e+00 -3.629723527e+00 2.56 -3.663746516e+00 -3.663746516e+00 2.58 -3.690391253e+00 -3.690391253e+00 2.60 -3.710195402e+00 -3.710195402e+00 2.62 -3.723728066e+00 -3.723728066e+00 2.64 -3.732298495e+00 -3.732298495e+00 2.66 -3.736184807e+00 -3.736184807e+00 2.68 -3.735367708e+00 -3.735367708e+00 2.70 -3.729884808e+00 -3.729884808e+00 2.72 -3.719808529e+00 -3.719808529e+00 2.74 -3.705283026e+00 -3.705283026e+00 2.76 -3.686470924e+00 -3.686470924e+00 2.78 -3.663515708e+00 -3.663515708e+00 2.80 -3.636560214e+00 -3.636560214e+00 2.82 -3.605774552e+00 -3.605774552e+00 2.84 -3.571338373e+00 -3.571338373e+00 2.86 -3.533446698e+00 -3.533446698e+00 2.88 -3.492320871e+00 -3.492320871e+00 2.90 -3.448214536e+00 -3.448214536e+00 2.92 -3.401413217e+00 -3.401413217e+00 2.94 -3.352227629e+00 -3.352227629e+00 2.96 -3.300982677e+00 -3.300982677e+00 2.98 -3.248005410e+00 -3.248005410e+00 3.00 -3.193615108e+00 -3.193615108e+00 3.02 -3.138117166e+00 -3.138117166e+00 3.04 -3.081800344e+00 -3.081800344e+00 3.06 -3.024935387e+00 -3.024935387e+00 3.08 -2.967772701e+00 -2.967772701e+00 3.10 -2.910538180e+00 -2.910538180e+00 3.12 -2.853427628e+00 -2.853427628e+00 3.14 -2.796601639e+00 -2.796601639e+00 3.16 -2.740182652e+00 -2.740182652e+00 3.18 -2.684255439e+00 -2.684255439e+00 3.20 -2.628870853e+00 -2.628870853e+00 3.22 -2.574052008e+00 -2.574052008e+00 3.24 -2.519801651e+00 -2.519801651e+00 3.26 -2.466109568e+00 -2.466109568e+00 3.28 -2.412959242e+00 -2.412959242e+00 3.30 -2.360333307e+00 -2.360333307e+00 3.32 -2.308217652e+00 -2.308217652e+00 3.34 -2.256604186e+00 -2.256604186e+00 3.36 -2.205492370e+00 -2.205492370e+00 3.38 -2.154889670e+00 -2.154889670e+00 3.40 -2.104811126e+00 -2.104811126e+00 3.42 -2.055278245e+00 -2.055278245e+00 3.44 -2.006317405e+00 -2.006317405e+00 3.46 -1.957958028e+00 -1.957958028e+00 3.48 -1.910230669e+00 -1.910230669e+00 3.50 -1.863165191e+00 -1.863165191e+00 3.52 -1.816789152e+00 -1.816789152e+00 3.54 -1.771126458e+00 -1.771126458e+00 3.56 -1.726196350e+00 -1.726196350e+00 3.58 -1.682012718e+00 -1.682012718e+00 3.60 -1.638583762e+00 -1.638583762e+00 3.62 -1.595911981e+00 -1.595911981e+00 3.64 -1.553994471e+00 -1.553994471e+00 3.66 -1.512823537e+00 -1.512823537e+00 3.68 -1.472387565e+00 -1.472387565e+00 3.70 -1.432672130e+00 -1.432672130e+00 3.72 -1.393661265e+00 -1.393661265e+00 3.74 -1.355338786e+00 -1.355338786e+00 3.76 -1.317689546e+00 -1.317689546e+00 3.78 -1.280700456e+00 -1.280700456e+00 3.80 -1.244361120e+00 -1.244361120e+00 3.82 -1.208663971e+00 -1.208663971e+00 3.84 -1.173603853e+00 -1.173603853e+00 3.86 -1.139177130e+00 -1.139177130e+00 3.88 -1.105380470e+00 -1.105380470e+00 3.90 -1.072209571e+00 -1.072209571e+00 3.92 -1.039658089e+00 -1.039658089e+00 3.94 -1.007717024e+00 -1.007717024e+00 3.96 -9.763746666e-01 -9.763746666e-01 3.98 -9.456171674e-01 -9.456171674e-01 4.00 -9.154295860e-01 -9.154295860e-01 4.02 -8.857972327e-01 -8.857972327e-01 4.04 -8.567070592e-01 -8.567070592e-01 4.06 -8.281488595e-01 -8.281488595e-01 4.08 -8.001160861e-01 -8.001160861e-01 4.10 -7.726061590e-01 -7.726061590e-01 4.12 -7.456203001e-01 -7.456203001e-01 4.14 -7.191628289e-01 -7.191628289e-01 4.16 -6.932402748e-01 -6.932402748e-01 4.18 -6.678603608e-01 -6.678603608e-01 4.20 -6.430311266e-01 -6.430311266e-01 4.22 -6.187603363e-01 -6.187603363e-01 4.24 -5.950552342e-01 -5.950552342e-01 4.26 -5.719226133e-01 -5.719226133e-01 4.28 -5.493690708e-01 -5.493690708e-01 4.30 -5.274012807e-01 -5.274012807e-01 4.32 -5.060261140e-01 -5.060261140e-01 4.34 -4.852504881e-01 -4.852504881e-01 4.36 -4.650808992e-01 -4.650808992e-01 4.38 -4.455226688e-01 -4.455226688e-01 4.40 -4.265789994e-01 -4.265789994e-01 4.42 -4.082499664e-01 -4.082499664e-01 4.44 -3.905315842e-01 -3.905315842e-01 4.46 -3.734150677e-01 -3.734150677e-01 4.48 -3.568863889e-01 -3.568863889e-01 4.50 -3.409261943e-01 -3.409261943e-01 4.52 -3.255101167e-01 -3.255101167e-01 4.54 -3.106094809e-01 -3.106094809e-01 4.56 -2.961923648e-01 -2.961923648e-01 4.58 -2.822249472e-01 -2.822249472e-01 4.60 -2.686730431e-01 -2.686730431e-01 4.62 -2.555037083e-01 -2.555037083e-01 4.64 -2.426867858e-01 -2.426867858e-01 4.66 -2.301962693e-01 -2.301962693e-01 4.68 -2.180113756e-01 -2.180113756e-01 4.70 -2.061172408e-01 -2.061172408e-01 4.72 -1.945051933e-01 -1.945051933e-01 4.74 -1.831725937e-01 -1.831725937e-01 4.76 -1.721222806e-01 -1.721222806e-01 4.78 -1.613616997e-01 -1.613616997e-01 4.80 -1.509018213e-01 -1.509018213e-01 4.82 -1.407560106e-01 -1.407560106e-01 4.84 -1.309388846e-01 -1.309388846e-01 4.86 -1.214653821e-01 -1.214653821e-01 4.88 -1.123500138e-01 -1.123500138e-01 4.90 -1.036063505e-01 -1.036063505e-01 4.92 -9.524669934e-02 -9.524669934e-02 4.94 -8.728191820e-02 -8.728191820e-02 4.96 -7.972127991e-02 -7.972127991e-02 4.98 -7.257234004e-02 -7.257234004e-02 5.00 -6.584074633e-02 -6.584074633e-02 5.02 -5.952997375e-02 -5.952997375e-02 5.04 -5.364077640e-02 -5.364077640e-02 5.06 -4.817117001e-02 -4.817117001e-02 5.08 -4.311661605e-02 -4.311661605e-02 5.10 -3.846921423e-02 -3.846921423e-02 5.12 -3.421773294e-02 -3.421773294e-02 5.14 -3.034781715e-02 -3.034781715e-02 5.16 -2.684232497e-02 -2.684232497e-02 5.18 -2.368178921e-02 -2.368178921e-02 5.20 -2.084494643e-02 -2.084494643e-02 5.22 -1.830929977e-02 -1.830929977e-02 5.24 -1.605168983e-02 -1.605168983e-02 5.26 -1.404881822e-02 -1.404881822e-02 5.28 -1.227755426e-02 -1.227755426e-02 5.30 -1.071574430e-02 -1.071574430e-02 5.32 -9.342323218e-03 -9.342323218e-03 5.34 -8.137432175e-03 -8.137432175e-03 5.36 -7.082583055e-03 -7.082583055e-03 5.38 -6.160749438e-03 -6.160749438e-03 5.40 -5.356397316e-03 -5.356397316e-03 5.42 -4.655468674e-03 -4.655468674e-03 5.44 -4.045330029e-03 -4.045330029e-03 5.46 -3.514696502e-03 -3.514696502e-03 5.48 -3.053540242e-03 -3.053540242e-03 5.50 -2.652990254e-03 -2.652990254e-03 5.52 -2.305229054e-03 -2.305229054e-03 5.54 -2.003390175e-03 -2.003390175e-03 5.56 -1.741459356e-03 -1.741459356e-03 5.58 -1.514181276e-03 -1.514181276e-03 5.60 -1.316972984e-03 -1.316972984e-03 5.62 -1.145844581e-03 -1.145844581e-03 5.64 -9.973273200e-04 -9.973273200e-04 5.66 -8.684089857e-04 -8.684089857e-04 5.68 -7.564762370e-04 -7.564762370e-04 5.70 -6.592634593e-04 -6.592634593e-04 5.72 -5.748076183e-04 -5.748076183e-04 5.74 -5.014085733e-04 -5.014085733e-04 5.76 -4.375943082e-04 -4.375943082e-04 5.78 -3.820905608e-04 -3.820905608e-04 5.80 -3.337943557e-04 -3.337943557e-04 5.82 -2.917509849e-04 -2.917509849e-04 5.84 -2.551340207e-04 -2.551340207e-04 5.86 -2.232279846e-04 -2.232279846e-04 5.88 -1.954133356e-04 -1.954133356e-04 5.90 -1.711534784e-04 -1.711534784e-04 5.92 -1.499835293e-04 -1.499835293e-04 5.94 -1.315006050e-04 -1.315006050e-04 5.96 -1.153554323e-04 -1.153554323e-04 5.98 -1.012451011e-04 -1.012451011e-04 6.00 -8.890680581e-05 -8.890680581e-05