# 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 = Mo2TaZr # 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 3.644598237e+02 3.644598237e+02 1.30 3.382064230e+02 3.382064230e+02 1.32 3.138951497e+02 3.138951497e+02 1.34 2.913615372e+02 2.913615372e+02 1.36 2.704554055e+02 2.704554055e+02 1.38 2.510406557e+02 2.510406557e+02 1.40 2.329951579e+02 2.329951579e+02 1.42 2.162099151e+02 2.162099151e+02 1.44 2.005873396e+02 2.005873396e+02 1.46 1.860393452e+02 1.860393452e+02 1.48 1.724858774e+02 1.724858774e+02 1.50 1.598540048e+02 1.598540048e+02 1.52 1.480774999e+02 1.480774999e+02 1.54 1.370967387e+02 1.370967387e+02 1.56 1.268585674e+02 1.268585674e+02 1.58 1.173157971e+02 1.173157971e+02 1.60 1.084260745e+02 1.084260745e+02 1.62 1.001503012e+02 1.001503012e+02 1.64 9.245111252e+01 9.245111252e+01 1.66 8.529188505e+01 8.529188505e+01 1.68 7.863644366e+01 7.863644366e+01 1.70 7.244934635e+01 7.244934635e+01 1.72 6.669641313e+01 6.669641313e+01 1.74 6.134525068e+01 6.134525068e+01 1.76 5.636560983e+01 5.636560983e+01 1.78 5.172957264e+01 5.172957264e+01 1.80 4.741157830e+01 4.741157830e+01 1.82 4.338836970e+01 4.338836970e+01 1.84 3.963883086e+01 3.963883086e+01 1.86 3.614383400e+01 3.614383400e+01 1.88 3.288603568e+01 3.288603568e+01 1.90 2.984964286e+01 2.984964286e+01 1.92 2.702011105e+01 2.702011105e+01 1.94 2.438399431e+01 2.438399431e+01 1.96 2.193170877e+01 2.193170877e+01 1.98 1.965232046e+01 1.965232046e+01 2.00 1.753736480e+01 1.753736480e+01 2.02 1.557617809e+01 1.557617809e+01 2.04 1.375752129e+01 1.375752129e+01 2.06 1.207081584e+01 1.207081584e+01 2.08 1.050614148e+01 1.050614148e+01 2.10 9.054227611e+00 9.054227611e+00 2.12 7.706467718e+00 7.706467718e+00 2.14 6.454948223e+00 6.454948223e+00 2.16 5.292492027e+00 5.292492027e+00 2.18 4.212668797e+00 4.212668797e+00 2.20 3.209762618e+00 3.209762618e+00 2.22 2.278679692e+00 2.278679692e+00 2.24 1.414837137e+00 1.414837137e+00 2.26 6.140547234e-01 6.140547234e-01 2.28 -1.275397246e-01 -1.275397246e-01 2.30 -8.135687449e-01 -8.135687449e-01 2.32 -1.447472451e+00 -1.447472451e+00 2.34 -2.032522924e+00 -2.032522924e+00 2.36 -2.571856137e+00 -2.571856137e+00 2.38 -3.068471026e+00 -3.068471026e+00 2.40 -3.525221455e+00 -3.525221455e+00 2.42 -3.944808134e+00 -3.944808134e+00 2.44 -4.329765958e+00 -4.329765958e+00 2.46 -4.682462571e+00 -4.682462571e+00 2.48 -5.005095269e+00 -5.005095269e+00 2.50 -5.299689078e+00 -5.299689078e+00 2.52 -5.568094614e+00 -5.568094614e+00 2.54 -5.811987185e+00 -5.811987185e+00 2.56 -6.032869836e+00 -6.032869836e+00 2.58 -6.232083307e+00 -6.232083307e+00 2.60 -6.410824534e+00 -6.410824534e+00 2.62 -6.570170317e+00 -6.570170317e+00 2.64 -6.711115405e+00 -6.711115405e+00 2.66 -6.834585464e+00 -6.834585464e+00 2.68 -6.941469967e+00 -6.941469967e+00 2.70 -7.032633764e+00 -7.032633764e+00 2.72 -7.108856863e+00 -7.108856863e+00 2.74 -7.170983551e+00 -7.170983551e+00 2.76 -7.219901438e+00 -7.219901438e+00 2.78 -7.256489986e+00 -7.256489986e+00 2.80 -7.281601810e+00 -7.281601810e+00 2.82 -7.295952580e+00 -7.295952580e+00 2.84 -7.300229274e+00 -7.300229274e+00 2.86 -7.294996545e+00 -7.294996545e+00 2.88 -7.280713158e+00 -7.280713158e+00 2.90 -7.258185337e+00 -7.258185337e+00 2.92 -7.228082672e+00 -7.228082672e+00 2.94 -7.191029004e+00 -7.191029004e+00 2.96 -7.147512603e+00 -7.147512603e+00 2.98 -7.097909653e+00 -7.097909653e+00 3.00 -7.042559717e+00 -7.042559717e+00 3.02 -6.981668326e+00 -6.981668326e+00 3.04 -6.914993529e+00 -6.914993529e+00 3.06 -6.842232556e+00 -6.842232556e+00 3.08 -6.763146121e+00 -6.763146121e+00 3.10 -6.677557290e+00 -6.677557290e+00 3.12 -6.585337433e+00 -6.585337433e+00 3.14 -6.486410884e+00 -6.486410884e+00 3.16 -6.380737560e+00 -6.380737560e+00 3.18 -6.268325770e+00 -6.268325770e+00 3.20 -6.149233975e+00 -6.149233975e+00 3.22 -6.023578688e+00 -6.023578688e+00 3.24 -5.891545175e+00 -5.891545175e+00 3.26 -5.753399935e+00 -5.753399935e+00 3.28 -5.609503077e+00 -5.609503077e+00 3.30 -5.460318039e+00 -5.460318039e+00 3.32 -5.306416129e+00 -5.306416129e+00 3.34 -5.148474180e+00 -5.148474180e+00 3.36 -4.987264913e+00 -4.987264913e+00 3.38 -4.823640744e+00 -4.823640744e+00 3.40 -4.658511333e+00 -4.658511333e+00 3.42 -4.492822467e+00 -4.492822467e+00 3.44 -4.327521254e+00 -4.327521254e+00 3.46 -4.163531083e+00 -4.163531083e+00 3.48 -4.001720406e+00 -4.001720406e+00 3.50 -3.842874520e+00 -3.842874520e+00 3.52 -3.687671375e+00 -3.687671375e+00 3.54 -3.536663592e+00 -3.536663592e+00 3.56 -3.390268385e+00 -3.390268385e+00 3.58 -3.248766136e+00 -3.248766136e+00 3.60 -3.112307420e+00 -3.112307420e+00 3.62 -2.980927327e+00 -2.980927327e+00 3.64 -2.854565268e+00 -2.854565268e+00 3.66 -2.733088156e+00 -2.733088156e+00 3.68 -2.616314777e+00 -2.616314777e+00 3.70 -2.504039417e+00 -2.504039417e+00 3.72 -2.396053119e+00 -2.396053119e+00 3.74 -2.292161379e+00 -2.292161379e+00 3.76 -2.192197459e+00 -2.192197459e+00 3.78 -2.096030873e+00 -2.096030873e+00 3.80 -2.003570941e+00 -2.003570941e+00 3.82 -1.914765587e+00 -1.914765587e+00 3.84 -1.829595869e+00 -1.829595869e+00 3.86 -1.748067071e+00 -1.748067071e+00 3.88 -1.670197418e+00 -1.670197418e+00 3.90 -1.596005815e+00 -1.596005815e+00 3.92 -1.525498033e+00 -1.525498033e+00 3.94 -1.458665273e+00 -1.458665273e+00 3.96 -1.395463755e+00 -1.395463755e+00 3.98 -1.335820705e+00 -1.335820705e+00 4.00 -1.279631786e+00 -1.279631786e+00 4.02 -1.226764004e+00 -1.226764004e+00 4.04 -1.177060705e+00 -1.177060705e+00 4.06 -1.130347709e+00 -1.130347709e+00 4.08 -1.086439742e+00 -1.086439742e+00 4.10 -1.045141145e+00 -1.045141145e+00 4.12 -1.006273524e+00 -1.006273524e+00 4.14 -9.696445235e-01 -9.696445235e-01 4.16 -9.350762045e-01 -9.350762045e-01 4.18 -9.024009437e-01 -9.024009437e-01 4.20 -8.714623169e-01 -8.714623169e-01 4.22 -8.421158940e-01 -8.421158940e-01 4.24 -8.142294605e-01 -8.142294605e-01 4.26 -7.876828136e-01 -7.876828136e-01 4.28 -7.623672629e-01 -7.623672629e-01 4.30 -7.381849386e-01 -7.381849386e-01 4.32 -7.150479895e-01 -7.150479895e-01 4.34 -6.928777295e-01 -6.928777295e-01 4.36 -6.716037752e-01 -6.716037752e-01 4.38 -6.511632076e-01 -6.511632076e-01 4.40 -6.314997746e-01 -6.314997746e-01 4.42 -6.125631496e-01 -6.125631496e-01 4.44 -5.943082499e-01 -5.943082499e-01 4.46 -5.766946187e-01 -5.766946187e-01 4.48 -5.596858698e-01 -5.596858698e-01 4.50 -5.432491923e-01 -5.432491923e-01 4.52 -5.273549107e-01 -5.273549107e-01 4.54 -5.119760974e-01 -5.119760974e-01 4.56 -4.970882320e-01 -4.970882320e-01 4.58 -4.826689028e-01 -4.826689028e-01 4.60 -4.686975458e-01 -4.686975458e-01 4.62 -4.551552166e-01 -4.551552166e-01 4.64 -4.420243925e-01 -4.420243925e-01 4.66 -4.292887993e-01 -4.292887993e-01 4.68 -4.169332605e-01 -4.169332605e-01 4.70 -4.049435663e-01 -4.049435663e-01 4.72 -3.933063588e-01 -3.933063588e-01 4.74 -3.820090321e-01 -3.820090321e-01 4.76 -3.710396443e-01 -3.710396443e-01 4.78 -3.603868402e-01 -3.603868402e-01 4.80 -3.500366070e-01 -3.500366070e-01 4.82 -3.399854621e-01 -3.399854621e-01 4.84 -3.302196205e-01 -3.302196205e-01 4.86 -3.207294840e-01 -3.207294840e-01 4.88 -3.115057654e-01 -3.115057654e-01 4.90 -3.025394512e-01 -3.025394512e-01 4.92 -2.938217662e-01 -2.938217662e-01 4.94 -2.853441437e-01 -2.853441437e-01 4.96 -2.770981968e-01 -2.770981968e-01 4.98 -2.690756943e-01 -2.690756943e-01 5.00 -2.612685390e-01 -2.612685390e-01 5.02 -2.536687506e-01 -2.536687506e-01 5.04 -2.462684518e-01 -2.462684518e-01 5.06 -2.390598595e-01 -2.390598595e-01 5.08 -2.320352828e-01 -2.320352828e-01 5.10 -2.251871266e-01 -2.251871266e-01 5.12 -2.185079049e-01 -2.185079049e-01 5.14 -2.119902635e-01 -2.119902635e-01 5.16 -2.056270151e-01 -2.056270151e-01 5.18 -1.994111872e-01 -1.994111872e-01 5.20 -1.933360857e-01 -1.933360857e-01 5.22 -1.873953737e-01 -1.873953737e-01 5.24 -1.815831665e-01 -1.815831665e-01 5.26 -1.758941414e-01 -1.758941414e-01 5.28 -1.703236580e-01 -1.703236580e-01 5.30 -1.648678854e-01 -1.648678854e-01 5.32 -1.595239266e-01 -1.595239266e-01 5.34 -1.542899301e-01 -1.542899301e-01 5.36 -1.491651739e-01 -1.491651739e-01 5.38 -1.441501091e-01 -1.441501091e-01 5.40 -1.392463488e-01 -1.392463488e-01 5.42 -1.344565890e-01 -1.344565890e-01 5.44 -1.297844544e-01 -1.297844544e-01 5.46 -1.252342692e-01 -1.252342692e-01 5.48 -1.208107654e-01 -1.208107654e-01 5.50 -1.165187393e-01 -1.165187393e-01 5.52 -1.123626869e-01 -1.123626869e-01 5.54 -1.083464491e-01 -1.083464491e-01 5.56 -1.044728978e-01 -1.044728978e-01 5.58 -1.007436884e-01 -1.007436884e-01 5.60 -9.715899033e-02 -9.715899033e-02 5.62 -9.371758116e-02 -9.371758116e-02 5.64 -9.041697450e-02 -9.041697450e-02 5.66 -8.725332943e-02 -8.725332943e-02 5.68 -8.422162038e-02 -8.422162038e-02 5.70 -8.131584588e-02 -8.131584588e-02 5.72 -7.852925403e-02 -7.852925403e-02 5.74 -7.585456516e-02 -7.585456516e-02 5.76 -7.328417774e-02 -7.328417774e-02 5.78 -7.081034779e-02 -7.081034779e-02 5.80 -6.842533730e-02 -6.842533730e-02 5.82 -6.612153093e-02 -6.612153093e-02 5.84 -6.389152309e-02 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