# 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 = CoMgTa2 # 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 3.696183950e+02 3.696183950e+02 1.30 3.423489671e+02 3.423489671e+02 1.32 3.171196146e+02 3.171196146e+02 1.34 2.937623389e+02 2.937623389e+02 1.36 2.721270894e+02 2.721270894e+02 1.38 2.520794253e+02 2.520794253e+02 1.40 2.334980470e+02 2.334980470e+02 1.42 2.162726533e+02 2.162726533e+02 1.44 2.003019142e+02 2.003019142e+02 1.46 1.854916185e+02 1.854916185e+02 1.48 1.717532306e+02 1.717532306e+02 1.50 1.590029900e+02 1.590029900e+02 1.52 1.471617415e+02 1.471617415e+02 1.54 1.361556157e+02 1.361556157e+02 1.56 1.259172026e+02 1.259172026e+02 1.58 1.163864188e+02 1.163864188e+02 1.60 1.075104744e+02 1.075104744e+02 1.62 9.924295987e+01 9.924295987e+01 1.64 9.154252522e+01 9.154252522e+01 1.66 8.437162853e+01 8.437162853e+01 1.68 7.769560763e+01 7.769560763e+01 1.70 7.148209127e+01 7.148209127e+01 1.72 6.570064492e+01 6.570064492e+01 1.74 6.032256040e+01 6.032256040e+01 1.76 5.532075063e+01 5.532075063e+01 1.78 5.066973329e+01 5.066973329e+01 1.80 4.634639886e+01 4.634639886e+01 1.82 4.233625566e+01 4.233625566e+01 1.84 3.862015102e+01 3.862015102e+01 1.86 3.517824551e+01 3.517824551e+01 1.88 3.199205493e+01 3.199205493e+01 1.90 2.904464842e+01 2.904464842e+01 1.92 2.631946142e+01 2.631946142e+01 1.94 2.380048960e+01 2.380048960e+01 1.96 2.147225229e+01 2.147225229e+01 1.98 1.931980773e+01 1.931980773e+01 2.00 1.732888682e+01 1.732888682e+01 2.02 1.548611356e+01 1.548611356e+01 2.04 1.377924894e+01 1.377924894e+01 2.06 1.219737233e+01 1.219737233e+01 2.08 1.073093334e+01 1.073093334e+01 2.10 9.371662203e+00 9.371662203e+00 2.12 8.112378052e+00 8.112378052e+00 2.14 6.946758666e+00 6.946758666e+00 2.16 5.869126296e+00 5.869126296e+00 2.18 4.874276066e+00 4.874276066e+00 2.20 3.957350887e+00 3.957350887e+00 2.22 3.113749086e+00 3.113749086e+00 2.24 2.339053779e+00 2.339053779e+00 2.26 1.628975369e+00 1.628975369e+00 2.28 9.793048445e-01 9.793048445e-01 2.30 3.858830925e-01 3.858830925e-01 2.32 -1.554111925e-01 -1.554111925e-01 2.34 -6.486442964e-01 -6.486442964e-01 2.36 -1.097783904e+00 -1.097783904e+00 2.38 -1.506633082e+00 -1.506633082e+00 2.40 -1.878757509e+00 -1.878757509e+00 2.42 -2.217423692e+00 -2.217423692e+00 2.44 -2.525561047e+00 -2.525561047e+00 2.46 -2.805680653e+00 -2.805680653e+00 2.48 -3.059869259e+00 -3.059869259e+00 2.50 -3.290375770e+00 -3.290375770e+00 2.52 -3.499178988e+00 -3.499178988e+00 2.54 -3.688003615e+00 -3.688003615e+00 2.56 -3.858381167e+00 -3.858381167e+00 2.58 -4.011697725e+00 -4.011697725e+00 2.60 -4.149216162e+00 -4.149216162e+00 2.62 -4.271825068e+00 -4.271825068e+00 2.64 -4.380095030e+00 -4.380095030e+00 2.66 -4.474634770e+00 -4.474634770e+00 2.68 -4.556078774e+00 -4.556078774e+00 2.70 -4.625063389e+00 -4.625063389e+00 2.72 -4.682212716e+00 -4.682212716e+00 2.74 -4.728130740e+00 -4.728130740e+00 2.76 -4.763396878e+00 -4.763396878e+00 2.78 -4.788563279e+00 -4.788563279e+00 2.80 -4.804161185e+00 -4.804161185e+00 2.82 -4.810718382e+00 -4.810718382e+00 2.84 -4.808678650e+00 -4.808678650e+00 2.86 -4.798458632e+00 -4.798458632e+00 2.88 -4.780460952e+00 -4.780460952e+00 2.90 -4.755076741e+00 -4.755076741e+00 2.92 -4.722687861e+00 -4.722687861e+00 2.94 -4.683668359e+00 -4.683668359e+00 2.96 -4.638384896e+00 -4.638384896e+00 2.98 -4.587195353e+00 -4.587195353e+00 3.00 -4.530423332e+00 -4.530423332e+00 3.02 -4.468352348e+00 -4.468352348e+00 3.04 -4.401258766e+00 -4.401258766e+00 3.06 -4.329411310e+00 -4.329411310e+00 3.08 -4.253068351e+00 -4.253068351e+00 3.10 -4.172479274e+00 -4.172479274e+00 3.12 -4.087888534e+00 -4.087888534e+00 3.14 -3.999545077e+00 -3.999545077e+00 3.16 -3.907712440e+00 -3.907712440e+00 3.18 -3.812683722e+00 -3.812683722e+00 3.20 -3.714795174e+00 -3.714795174e+00 3.22 -3.614438058e+00 -3.614438058e+00 3.24 -3.512066256e+00 -3.512066256e+00 3.26 -3.408197630e+00 -3.408197630e+00 3.28 -3.303407668e+00 -3.303407668e+00 3.30 -3.198314870e+00 -3.198314870e+00 3.32 -3.093558527e+00 -3.093558527e+00 3.34 -2.989770921e+00 -2.989770921e+00 3.36 -2.887547080e+00 -2.887547080e+00 3.38 -2.787415813e+00 -2.787415813e+00 3.40 -2.689815520e+00 -2.689815520e+00 3.42 -2.595077635e+00 -2.595077635e+00 3.44 -2.503418530e+00 -2.503418530e+00 3.46 -2.414940556e+00 -2.414940556e+00 3.48 -2.329640469e+00 -2.329640469e+00 3.50 -2.247423582e+00 -2.247423582e+00 3.52 -2.168121469e+00 -2.168121469e+00 3.54 -2.091511204e+00 -2.091511204e+00 3.56 -2.017336198e+00 -2.017336198e+00 3.58 -1.945346174e+00 -1.945346174e+00 3.60 -1.875243702e+00 -1.875243702e+00 3.62 -1.806729288e+00 -1.806729288e+00 3.64 -1.739531047e+00 -1.739531047e+00 3.66 -1.673414840e+00 -1.673414840e+00 3.68 -1.608190977e+00 -1.608190977e+00 3.70 -1.543655456e+00 -1.543655456e+00 3.72 -1.479577393e+00 -1.479577393e+00 3.74 -1.415793455e+00 -1.415793455e+00 3.76 -1.352219142e+00 -1.352219142e+00 3.78 -1.288851255e+00 -1.288851255e+00 3.80 -1.225767004e+00 -1.225767004e+00 3.82 -1.163119027e+00 -1.163119027e+00 3.84 -1.101125919e+00 -1.101125919e+00 3.86 -1.040058427e+00 -1.040058427e+00 3.88 -9.802220432e-01 -9.802220432e-01 3.90 -9.219373550e-01 -9.219373550e-01 3.92 -8.655197531e-01 -8.655197531e-01 3.94 -8.112609174e-01 -8.112609174e-01 3.96 -7.594123117e-01 -7.594123117e-01 3.98 -7.101738864e-01 -7.101738864e-01 4.00 -6.636870707e-01 -6.636870707e-01 4.02 -6.200326829e-01 -6.200326829e-01 4.04 -5.792331070e-01 -5.792331070e-01 4.06 -5.412578286e-01 -5.412578286e-01 4.08 -5.060312655e-01 -5.060312655e-01 4.10 -4.734414541e-01 -4.734414541e-01 4.12 -4.433510503e-01 -4.433510503e-01 4.14 -4.156037776e-01 -4.156037776e-01 4.16 -3.900343332e-01 -3.900343332e-01 4.18 -3.664748175e-01 -3.664748175e-01 4.20 -3.447603079e-01 -3.447603079e-01 4.22 -3.247330643e-01 -3.247330643e-01 4.24 -3.062454155e-01 -3.062454155e-01 4.26 -2.891614293e-01 -2.891614293e-01 4.28 -2.733575162e-01 -2.733575162e-01 4.30 -2.587221565e-01 -2.587221565e-01 4.32 -2.451549778e-01 -2.451549778e-01 4.34 -2.325654336e-01 -2.325654336e-01 4.36 -2.208713312e-01 -2.208713312e-01 4.38 -2.099974255e-01 -2.099974255e-01 4.40 -1.998742347e-01 -1.998742347e-01 4.42 -1.904371629e-01 -1.904371629e-01 4.44 -1.816258934e-01 -1.816258934e-01 4.46 -1.733840869e-01 -1.733840869e-01 4.48 -1.656592351e-01 -1.656592351e-01 4.50 -1.584021039e-01 -1.584021039e-01 4.52 -1.515671380e-01 -1.515671380e-01 4.54 -1.451138768e-01 -1.451138768e-01 4.56 -1.390049627e-01 -1.390049627e-01 4.58 -1.332061367e-01 -1.332061367e-01 4.60 -1.276861803e-01 -1.276861803e-01 4.62 -1.224167713e-01 -1.224167713e-01 4.64 -1.173722979e-01 -1.173722979e-01 4.66 -1.125296644e-01 -1.125296644e-01 4.68 -1.078681147e-01 -1.078681147e-01 4.70 -1.033690907e-01 -1.033690907e-01 4.72 -9.901613782e-02 -9.901613782e-02 4.74 -9.479486251e-02 -9.479486251e-02 4.76 -9.069294175e-02 -9.069294175e-02 4.78 -8.670017713e-02 -8.670017713e-02 4.80 -8.280837426e-02 -8.280837426e-02 4.82 -7.901229937e-02 -7.901229937e-02 4.84 -7.530840480e-02 -7.530840480e-02 4.86 -7.169580404e-02 -7.169580404e-02 4.88 -6.817594795e-02 -6.817594795e-02 4.90 -6.475249226e-02 -6.475249226e-02 4.92 -6.143097313e-02 -6.143097313e-02 4.94 -5.821835013e-02 -5.821835013e-02 4.96 -5.512243337e-02 -5.512243337e-02 4.98 -5.215122259e-02 -5.215122259e-02 5.00 -4.931222318e-02 -4.931222318e-02 5.02 -4.661180410e-02 -4.661180410e-02 5.04 -4.405466273e-02 -4.405466273e-02 5.06 -4.164344903e-02 -4.164344903e-02 5.08 -3.937857779e-02 -3.937857779e-02 5.10 -3.725822995e-02 -3.725822995e-02 5.12 -3.527852366e-02 -3.527852366e-02 5.14 -3.343380987e-02 -3.343380987e-02 5.16 -3.171704661e-02 -3.171704661e-02 5.18 -3.012020581e-02 -3.012020581e-02 5.20 -2.863467104e-02 -2.863467104e-02 5.22 -2.725159651e-02 -2.725159651e-02 5.24 -2.596220956e-02 -2.596220956e-02 5.26 -2.475804911e-02 -2.475804911e-02 5.28 -2.363114057e-02 -2.363114057e-02 5.30 -2.257411292e-02 -2.257411292e-02 5.32 -2.158026650e-02 -2.158026650e-02 5.34 -2.064360063e-02 -2.064360063e-02 5.36 -1.975881009e-02 -1.975881009e-02 5.38 -1.892123968e-02 -1.892123968e-02 5.40 -1.812683698e-02 -1.812683698e-02 5.42 -1.737216954e-02 -1.737216954e-02 5.44 -1.665430651e-02 -1.665430651e-02 5.46 -1.597074719e-02 -1.597074719e-02 5.48 -1.531935058e-02 -1.531935058e-02 5.50 -1.469826607e-02 -1.469826607e-02 5.52 -1.410586818e-02 -1.410586818e-02 5.54 -1.354069756e-02 -1.354069756e-02 5.56 -1.300141063e-02 -1.300141063e-02 5.58 -1.248673885e-02 -1.248673885e-02 5.60 -1.199545846e-02 -1.199545846e-02 5.62 -1.152637009e-02 -1.152637009e-02 5.64 -1.107828740e-02 -1.107828740e-02 5.66 -1.065003295e-02 -1.065003295e-02 5.68 -1.024043958e-02 -1.024043958e-02 5.70 -9.848355224e-03 -9.848355224e-03 5.72 -9.472649588e-03 -9.472649588e-03 5.74 -9.112221223e-03 -9.112221223e-03 5.76 -8.766004029e-03 -8.766004029e-03 5.78 -8.432972586e-03 -8.432972586e-03 5.80 -8.112146043e-03 -8.112146043e-03 5.82 -7.802590562e-03 -7.802590562e-03 5.84 -7.503420498e-03 -7.503420498e-03 5.86 -7.213798602e-03 -7.213798602e-03 5.88 -6.932935595e-03 -6.932935595e-03 5.90 -6.660089465e-03 -6.660089465e-03 5.92 -6.394564822e-03 -6.394564822e-03 5.94 -6.135712602e-03 -6.135712602e-03 5.96 -5.882930380e-03 -5.882930380e-03 5.98 -5.635663475e-03 -5.635663475e-03 6.00 -5.393406986e-03 -5.393406986e-03