# 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 = AgNiPd2 # 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 2.457340959e+02 2.457340959e+02 1.30 2.272431408e+02 2.272431408e+02 1.32 2.101284194e+02 2.101284194e+02 1.34 1.942819879e+02 1.942819879e+02 1.36 1.796049149e+02 1.796049149e+02 1.38 1.660050540e+02 1.660050540e+02 1.40 1.533963360e+02 1.533963360e+02 1.42 1.416990987e+02 1.416990987e+02 1.44 1.308408178e+02 1.308408178e+02 1.46 1.207566339e+02 1.207566339e+02 1.48 1.113889990e+02 1.113889990e+02 1.50 1.026862797e+02 1.026862797e+02 1.52 9.460088939e+01 9.460088939e+01 1.54 8.708777674e+01 8.708777674e+01 1.56 8.010375137e+01 8.010375137e+01 1.58 7.360758460e+01 7.360758460e+01 1.60 6.756056073e+01 6.756056073e+01 1.62 6.192716834e+01 6.192716834e+01 1.64 5.667779111e+01 5.667779111e+01 1.66 5.181351650e+01 5.181351650e+01 1.68 4.731608307e+01 4.731608307e+01 1.70 4.315906276e+01 4.315906276e+01 1.72 3.931790451e+01 3.931790451e+01 1.74 3.576946543e+01 3.576946543e+01 1.76 3.249195283e+01 3.249195283e+01 1.78 2.946509610e+01 2.946509610e+01 1.80 2.667028373e+01 2.667028373e+01 1.82 2.409051977e+01 2.409051977e+01 1.84 2.171021623e+01 2.171021623e+01 1.86 1.951491499e+01 1.951491499e+01 1.88 1.749103659e+01 1.749103659e+01 1.90 1.562573458e+01 1.562573458e+01 1.92 1.390689066e+01 1.390689066e+01 1.94 1.232321221e+01 1.232321221e+01 1.96 1.086433856e+01 1.086433856e+01 1.98 9.520871910e+00 9.520871910e+00 2.00 8.284307956e+00 8.284307956e+00 2.02 7.146898963e+00 7.146898963e+00 2.04 6.101505593e+00 6.101505593e+00 2.06 5.141481459e+00 5.141481459e+00 2.08 4.260605999e+00 4.260605999e+00 2.10 3.453057580e+00 3.453057580e+00 2.12 2.713408659e+00 2.713408659e+00 2.14 2.036625672e+00 2.036625672e+00 2.16 1.418062587e+00 1.418062587e+00 2.18 8.534445032e-01 8.534445032e-01 2.20 3.388434368e-01 3.388434368e-01 2.22 -1.293494597e-01 -1.293494597e-01 2.24 -5.544518950e-01 -5.544518950e-01 2.26 -9.395180756e-01 -9.395180756e-01 2.28 -1.287368119e+00 -1.287368119e+00 2.30 -1.600621977e+00 -1.600621977e+00 2.32 -1.881737586e+00 -1.881737586e+00 2.34 -2.133047592e+00 -2.133047592e+00 2.36 -2.356785998e+00 -2.356785998e+00 2.38 -2.555099027e+00 -2.555099027e+00 2.40 -2.730042082e+00 -2.730042082e+00 2.42 -2.883571118e+00 -2.883571118e+00 2.44 -3.017536881e+00 -3.017536881e+00 2.46 -3.133685206e+00 -3.133685206e+00 2.48 -3.233657878e+00 -3.233657878e+00 2.50 -3.318989329e+00 -3.318989329e+00 2.52 -3.391098998e+00 -3.391098998e+00 2.54 -3.451275857e+00 -3.451275857e+00 2.56 -3.501095975e+00 -3.501095975e+00 2.58 -3.541891408e+00 -3.541891408e+00 2.60 -3.574146827e+00 -3.574146827e+00 2.62 -3.598255831e+00 -3.598255831e+00 2.64 -3.614500705e+00 -3.614500705e+00 2.66 -3.623184463e+00 -3.623184463e+00 2.68 -3.624639864e+00 -3.624639864e+00 2.70 -3.619222932e+00 -3.619222932e+00 2.72 -3.607344050e+00 -3.607344050e+00 2.74 -3.589495488e+00 -3.589495488e+00 2.76 -3.566161750e+00 -3.566161750e+00 2.78 -3.537863915e+00 -3.537863915e+00 2.80 -3.505080170e+00 -3.505080170e+00 2.82 -3.468141988e+00 -3.468141988e+00 2.84 -3.427385539e+00 -3.427385539e+00 2.86 -3.383156655e+00 -3.383156655e+00 2.88 -3.335814439e+00 -3.335814439e+00 2.90 -3.285732722e+00 -3.285732722e+00 2.92 -3.233296701e+00 -3.233296701e+00 2.94 -3.178894369e+00 -3.178894369e+00 2.96 -3.122908337e+00 -3.122908337e+00 2.98 -3.065698049e+00 -3.065698049e+00 3.00 -3.007583938e+00 -3.007583938e+00 3.02 -2.948841362e+00 -2.948841362e+00 3.04 -2.889700590e+00 -2.889700590e+00 3.06 -2.830351383e+00 -2.830351383e+00 3.08 -2.770949838e+00 -2.770949838e+00 3.10 -2.711625268e+00 -2.711625268e+00 3.12 -2.652485807e+00 -2.652485807e+00 3.14 -2.593622441e+00 -2.593622441e+00 3.16 -2.535111815e+00 -2.535111815e+00 3.18 -2.477018417e+00 -2.477018417e+00 3.20 -2.419396542e+00 -2.419396542e+00 3.22 -2.362292259e+00 -2.362292259e+00 3.24 -2.305745337e+00 -2.305745337e+00 3.26 -2.249791057e+00 -2.249791057e+00 3.28 -2.194461766e+00 -2.194461766e+00 3.30 -2.139788099e+00 -2.139788099e+00 3.32 -2.085799821e+00 -2.085799821e+00 3.34 -2.032526263e+00 -2.032526263e+00 3.36 -1.979996382e+00 -1.979996382e+00 3.38 -1.928238476e+00 -1.928238476e+00 3.40 -1.877279644e+00 -1.877279644e+00 3.42 -1.827145077e+00 -1.827145077e+00 3.44 -1.777857302e+00 -1.777857302e+00 3.46 -1.729435461e+00 -1.729435461e+00 3.48 -1.681894732e+00 -1.681894732e+00 3.50 -1.635245928e+00 -1.635245928e+00 3.52 -1.589495299e+00 -1.589495299e+00 3.54 -1.544644524e+00 -1.544644524e+00 3.56 -1.500690858e+00 -1.500690858e+00 3.58 -1.457627388e+00 -1.457627388e+00 3.60 -1.415443353e+00 -1.415443353e+00 3.62 -1.374124505e+00 -1.374124505e+00 3.64 -1.333653512e+00 -1.333653512e+00 3.66 -1.294010401e+00 -1.294010401e+00 3.68 -1.255173109e+00 -1.255173109e+00 3.70 -1.217118151e+00 -1.217118151e+00 3.72 -1.179821459e+00 -1.179821459e+00 3.74 -1.143259381e+00 -1.143259381e+00 3.76 -1.107409790e+00 -1.107409790e+00 3.78 -1.072253231e+00 -1.072253231e+00 3.80 -1.037773945e+00 -1.037773945e+00 3.82 -1.003960628e+00 -1.003960628e+00 3.84 -9.708067464e-01 -9.708067464e-01 3.86 -9.383103278e-01 -9.383103278e-01 3.88 -9.064731875e-01 -9.064731875e-01 3.90 -8.752997109e-01 -8.752997109e-01 3.92 -8.447953970e-01 -8.447953970e-01 3.94 -8.149654479e-01 -8.149654479e-01 3.96 -7.858136777e-01 -7.858136777e-01 3.98 -7.573419567e-01 -7.573419567e-01 4.00 -7.295502546e-01 -7.295502546e-01 4.02 -7.024372101e-01 -7.024372101e-01 4.04 -6.760010242e-01 -6.760010242e-01 4.06 -6.502404051e-01 -6.502404051e-01 4.08 -6.251552878e-01 -6.251552878e-01 4.10 -6.007471140e-01 -6.007471140e-01 4.12 -5.770185723e-01 -5.770185723e-01 4.14 -5.539727947e-01 -5.539727947e-01 4.16 -5.316121829e-01 -5.316121829e-01 4.18 -5.099370627e-01 -5.099370627e-01 4.20 -4.889444365e-01 -4.889444365e-01 4.22 -4.686270650e-01 -4.686270650e-01 4.24 -4.489730355e-01 -4.489730355e-01 4.26 -4.299658736e-01 -4.299658736e-01 4.28 -4.115851508e-01 -4.115851508e-01 4.30 -3.938074625e-01 -3.938074625e-01 4.32 -3.766076100e-01 -3.766076100e-01 4.34 -3.599598149e-01 -3.599598149e-01 4.36 -3.438388200e-01 -3.438388200e-01 4.38 -3.282207708e-01 -3.282207708e-01 4.40 -3.130838156e-01 -3.130838156e-01 4.42 -2.984083985e-01 -2.984083985e-01 4.44 -2.841772560e-01 -2.841772560e-01 4.46 -2.703751530e-01 -2.703751530e-01 4.48 -2.569884240e-01 -2.569884240e-01 4.50 -2.440044093e-01 -2.440044093e-01 4.52 -2.314108958e-01 -2.314108958e-01 4.54 -2.191956773e-01 -2.191956773e-01 4.56 -2.073463374e-01 -2.073463374e-01 4.58 -1.958503216e-01 -1.958503216e-01 4.60 -1.846953186e-01 -1.846953186e-01 4.62 -1.738699103e-01 -1.738699103e-01 4.64 -1.633643973e-01 -1.633643973e-01 4.66 -1.531716713e-01 -1.531716713e-01 4.68 -1.432879849e-01 -1.432879849e-01 4.70 -1.337134829e-01 -1.337134829e-01 4.72 -1.244523850e-01 -1.244523850e-01 4.74 -1.155127613e-01 -1.155127613e-01 4.76 -1.069058992e-01 -1.069058992e-01 4.78 -9.864531761e-02 -9.864531761e-02 4.80 -9.074553640e-02 -9.074553640e-02 4.82 -8.322074803e-02 -8.322074803e-02 4.84 -7.608352563e-02 -7.608352563e-02 4.86 -6.934372713e-02 -6.934372713e-02 4.88 -6.300768655e-02 -6.300768655e-02 4.90 -5.707774699e-02 -5.707774699e-02 4.92 -5.155213848e-02 -5.155213848e-02 4.94 -4.642515751e-02 -4.642515751e-02 4.96 -4.168757585e-02 -4.168757585e-02 4.98 -3.732718426e-02 -3.732718426e-02 5.00 -3.332939053e-02 -3.332939053e-02 5.02 -2.967780262e-02 -2.967780262e-02 5.04 -2.635445377e-02 -2.635445377e-02 5.06 -2.334069367e-02 -2.334069367e-02 5.08 -2.061785617e-02 -2.061785617e-02 5.10 -1.816677380e-02 -1.816677380e-02 5.12 -1.596836253e-02 -1.596836253e-02 5.14 -1.400367335e-02 -1.400367335e-02 5.16 -1.225404287e-02 -1.225404287e-02 5.18 -1.070125988e-02 -1.070125988e-02 5.20 -9.327713570e-03 -9.327713570e-03 5.22 -8.116525079e-03 -8.116525079e-03 5.24 -7.051660992e-03 -7.051660992e-03 5.26 -6.118025808e-03 -6.118025808e-03 5.28 -5.301530805e-03 -5.301530805e-03 5.30 -4.589137865e-03 -4.589137865e-03 5.32 -3.968878446e-03 -3.968878446e-03 5.34 -3.429849390e-03 -3.429849390e-03 5.36 -2.962188433e-03 -2.962188433e-03 5.38 -2.557033046e-03 -2.557033046e-03 5.40 -2.206466506e-03 -2.206466506e-03 5.42 -1.903455044e-03 -1.903455044e-03 5.44 -1.641779563e-03 -1.641779563e-03 5.46 -1.415964959e-03 -1.415964959e-03 5.48 -1.221209476e-03 -1.221209476e-03 5.50 -1.053315995e-03 -1.053315995e-03 5.52 -9.086266332e-04 -9.086266332e-04 5.54 -7.839615473e-04 -7.839615473e-04 5.56 -6.765625054e-04 -6.765625054e-04 5.58 -5.840414551e-04 -5.840414551e-04 5.60 -5.043341175e-04 -5.043341175e-04 5.62 -4.356584608e-04 -4.356584608e-04 5.64 -3.764778041e-04 -3.764778041e-04 5.66 -3.254682296e-04 -3.254682296e-04 5.68 -2.814899463e-04 -2.814899463e-04 5.70 -2.435622334e-04 -2.435622334e-04 5.72 -2.108415971e-04 -2.108415971e-04 5.74 -1.826027851e-04 -1.826027851e-04 5.76 -1.582223307e-04 -1.582223307e-04 5.78 -1.371643176e-04 -1.371643176e-04 5.80 -1.189680915e-04 -1.189680915e-04 5.82 -1.032376653e-04 -1.032376653e-04 5.84 -8.963259847e-05 -8.963259847e-05 5.86 -7.786015156e-05 -7.786015156e-05 5.88 -6.766854471e-05 -6.766854471e-05 5.90 -5.884116723e-05 -5.884116723e-05 5.92 -5.119160737e-05 -5.119160737e-05 5.94 -4.455938716e-05 -4.455938716e-05 5.96 -3.880630338e-05 -3.880630338e-05 5.98 -3.381328901e-05 -3.381328901e-05 6.00 -2.947772107e-05 -2.947772107e-05