# 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 = AgMoTi2 # 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 2.900043602e+02 2.900043602e+02 1.30 2.685678051e+02 2.685678051e+02 1.32 2.487454496e+02 2.487454496e+02 1.34 2.304054863e+02 2.304054863e+02 1.36 2.134256382e+02 2.134256382e+02 1.38 1.976935840e+02 1.976935840e+02 1.40 1.831069628e+02 1.831069628e+02 1.42 1.695729841e+02 1.695729841e+02 1.44 1.570079982e+02 1.570079982e+02 1.46 1.453369485e+02 1.453369485e+02 1.48 1.344924686e+02 1.344924686e+02 1.50 1.244138088e+02 1.244138088e+02 1.52 1.150458788e+02 1.150458788e+02 1.54 1.063384893e+02 1.063384893e+02 1.56 9.824577382e+01 9.824577382e+01 1.58 9.072566395e+01 9.072566395e+01 1.60 8.373929840e+01 8.373929840e+01 1.62 7.725042874e+01 7.725042874e+01 1.64 7.122492802e+01 7.122492802e+01 1.66 6.563040135e+01 6.563040135e+01 1.68 6.043592538e+01 6.043592538e+01 1.70 5.561202468e+01 5.561202468e+01 1.72 5.113088922e+01 5.113088922e+01 1.74 4.696664092e+01 4.696664092e+01 1.76 4.309542688e+01 4.309542688e+01 1.78 3.949531666e+01 3.949531666e+01 1.80 3.614619100e+01 3.614619100e+01 1.82 3.303148665e+01 3.303148665e+01 1.84 3.013604807e+01 3.013604807e+01 1.86 2.744550471e+01 2.744550471e+01 1.88 2.494595828e+01 2.494595828e+01 1.90 2.262471245e+01 2.262471245e+01 1.92 2.047003255e+01 2.047003255e+01 1.94 1.847093107e+01 1.847093107e+01 1.96 1.661705056e+01 1.661705056e+01 1.98 1.489862928e+01 1.489862928e+01 2.00 1.330648720e+01 1.330648720e+01 2.02 1.183197981e+01 1.183197981e+01 2.04 1.046692192e+01 1.046692192e+01 2.06 9.203523610e+00 9.203523610e+00 2.08 8.034373950e+00 8.034373950e+00 2.10 6.952473297e+00 6.952473297e+00 2.12 5.951283930e+00 5.951283930e+00 2.14 5.024767372e+00 5.024767372e+00 2.16 4.167394551e+00 4.167394551e+00 2.18 3.374128907e+00 3.374128907e+00 2.20 2.640387739e+00 2.640387739e+00 2.22 1.961987343e+00 1.961987343e+00 2.24 1.335082814e+00 1.335082814e+00 2.26 7.561156089e-01 7.561156089e-01 2.28 2.217783554e-01 2.217783554e-01 2.30 -2.710012953e-01 -2.710012953e-01 2.32 -7.250662858e-01 -7.250662858e-01 2.34 -1.143031687e+00 -1.143031687e+00 2.36 -1.527291768e+00 -1.527291768e+00 2.38 -1.880036254e+00 -1.880036254e+00 2.40 -2.203277133e+00 -2.203277133e+00 2.42 -2.498881250e+00 -2.498881250e+00 2.44 -2.768600958e+00 -2.768600958e+00 2.46 -3.014097639e+00 -3.014097639e+00 2.48 -3.236955758e+00 -3.236955758e+00 2.50 -3.438688276e+00 -3.438688276e+00 2.52 -3.620735405e+00 -3.620735405e+00 2.54 -3.784459402e+00 -3.784459402e+00 2.56 -3.931138672e+00 -3.931138672e+00 2.58 -4.061964167e+00 -4.061964167e+00 2.60 -4.177962607e+00 -4.177962607e+00 2.62 -4.280125455e+00 -4.280125455e+00 2.64 -4.369502145e+00 -4.369502145e+00 2.66 -4.447049111e+00 -4.447049111e+00 2.68 -4.513637543e+00 -4.513637543e+00 2.70 -4.570137891e+00 -4.570137891e+00 2.72 -4.617280065e+00 -4.617280065e+00 2.74 -4.655628723e+00 -4.655628723e+00 2.76 -4.685721326e+00 -4.685721326e+00 2.78 -4.708006923e+00 -4.708006923e+00 2.80 -4.722800768e+00 -4.722800768e+00 2.82 -4.730416060e+00 -4.730416060e+00 2.84 -4.731177994e+00 -4.731177994e+00 2.86 -4.725402876e+00 -4.725402876e+00 2.88 -4.713266131e+00 -4.713266131e+00 2.90 -4.694909675e+00 -4.694909675e+00 2.92 -4.670527578e+00 -4.670527578e+00 2.94 -4.640360805e+00 -4.640360805e+00 2.96 -4.604692467e+00 -4.604692467e+00 2.98 -4.563843740e+00 -4.563843740e+00 3.00 -4.518171947e+00 -4.518171947e+00 3.02 -4.468197743e+00 -4.468197743e+00 3.04 -4.414218976e+00 -4.414218976e+00 3.06 -4.356436020e+00 -4.356436020e+00 3.08 -4.295092590e+00 -4.295092590e+00 3.10 -4.230450179e+00 -4.230450179e+00 3.12 -4.162765045e+00 -4.162765045e+00 3.14 -4.092274980e+00 -4.092274980e+00 3.16 -4.019199466e+00 -4.019199466e+00 3.18 -3.943727567e+00 -3.943727567e+00 3.20 -3.866019471e+00 -3.866019471e+00 3.22 -3.786216067e+00 -3.786216067e+00 3.24 -3.704449087e+00 -3.704449087e+00 3.26 -3.620850715e+00 -3.620850715e+00 3.28 -3.535562180e+00 -3.535562180e+00 3.30 -3.448741164e+00 -3.448741164e+00 3.32 -3.360567952e+00 -3.360567952e+00 3.34 -3.271250145e+00 -3.271250145e+00 3.36 -3.181025707e+00 -3.181025707e+00 3.38 -3.090164034e+00 -3.090164034e+00 3.40 -2.998964767e+00 -2.998964767e+00 3.42 -2.907754406e+00 -2.907754406e+00 3.44 -2.816880397e+00 -2.816880397e+00 3.46 -2.726703566e+00 -2.726703566e+00 3.48 -2.637588888e+00 -2.637588888e+00 3.50 -2.549895250e+00 -2.549895250e+00 3.52 -2.463964635e+00 -2.463964635e+00 3.54 -2.380111150e+00 -2.380111150e+00 3.56 -2.298610416e+00 -2.298610416e+00 3.58 -2.219690085e+00 -2.219690085e+00 3.60 -2.143522420e+00 -2.143522420e+00 3.62 -2.070219995e+00 -2.070219995e+00 3.64 -1.999835271e+00 -1.999835271e+00 3.66 -1.932364217e+00 -1.932364217e+00 3.68 -1.867753429e+00 -1.867753429e+00 3.70 -1.805909643e+00 -1.805909643e+00 3.72 -1.746710271e+00 -1.746710271e+00 3.74 -1.690013701e+00 -1.690013701e+00 3.76 -1.635668462e+00 -1.635668462e+00 3.78 -1.583520728e+00 -1.583520728e+00 3.80 -1.533420035e+00 -1.533420035e+00 3.82 -1.485223290e+00 -1.485223290e+00 3.84 -1.438797332e+00 -1.438797332e+00 3.86 -1.394020298e+00 -1.394020298e+00 3.88 -1.350782104e+00 -1.350782104e+00 3.90 -1.308984255e+00 -1.308984255e+00 3.92 -1.268539160e+00 -1.268539160e+00 3.94 -1.229369419e+00 -1.229369419e+00 3.96 -1.191406411e+00 -1.191406411e+00 3.98 -1.154589400e+00 -1.154589400e+00 4.00 -1.118864370e+00 -1.118864370e+00 4.02 -1.084182995e+00 -1.084182995e+00 4.04 -1.050501737e+00 -1.050501737e+00 4.06 -1.017781076e+00 -1.017781076e+00 4.08 -9.859848987e-01 -9.859848987e-01 4.10 -9.550798912e-01 -9.550798912e-01 4.12 -9.250358047e-01 -9.250358047e-01 4.14 -8.958243422e-01 -8.958243422e-01 4.16 -8.674197203e-01 -8.674197203e-01 4.18 -8.397984897e-01 -8.397984897e-01 4.20 -8.129395702e-01 -8.129395702e-01 4.22 -7.868242915e-01 -7.868242915e-01 4.24 -7.614363929e-01 -7.614363929e-01 4.26 -7.367619440e-01 -7.367619440e-01 4.28 -7.127891480e-01 -7.127891480e-01 4.30 -6.895080091e-01 -6.895080091e-01 4.32 -6.669098584e-01 -6.669098584e-01 4.34 -6.449867638e-01 -6.449867638e-01 4.36 -6.237308647e-01 -6.237308647e-01 4.38 -6.031336964e-01 -6.031336964e-01 4.40 -5.831855709e-01 -5.831855709e-01 4.42 -5.638750782e-01 -5.638750782e-01 4.44 -5.451887543e-01 -5.451887543e-01 4.46 -5.271109357e-01 -5.271109357e-01 4.48 -5.096237961e-01 -5.096237961e-01 4.50 -4.927075369e-01 -4.927075369e-01 4.52 -4.763406891e-01 -4.763406891e-01 4.54 -4.605004803e-01 -4.605004803e-01 4.56 -4.451632221e-01 -4.451632221e-01 4.58 -4.303046851e-01 -4.303046851e-01 4.60 -4.159004370e-01 -4.159004370e-01 4.62 -4.019261348e-01 -4.019261348e-01 4.64 -3.883577711e-01 -3.883577711e-01 4.66 -3.751718801e-01 -3.751718801e-01 4.68 -3.623457180e-01 -3.623457180e-01 4.70 -3.498574300e-01 -3.498574300e-01 4.72 -3.376862218e-01 -3.376862218e-01 4.74 -3.258125454e-01 -3.258125454e-01 4.76 -3.142183142e-01 -3.142183142e-01 4.78 -3.028871506e-01 -3.028871506e-01 4.80 -2.918045858e-01 -2.918045858e-01 4.82 -2.809587182e-01 -2.809587182e-01 4.84 -2.703399998e-01 -2.703399998e-01 4.86 -2.599419356e-01 -2.599419356e-01 4.88 -2.497612666e-01 -2.497612666e-01 4.90 -2.397981737e-01 -2.397981737e-01 4.92 -2.300563579e-01 -2.300563579e-01 4.94 -2.205429528e-01 -2.205429528e-01 4.96 -2.112682312e-01 -2.112682312e-01 4.98 -2.022450839e-01 -2.022450839e-01 5.00 -1.934882737e-01 -1.934882737e-01 5.02 -1.850134943e-01 -1.850134943e-01 5.04 -1.768362987e-01 -1.768362987e-01 5.06 -1.689709825e-01 -1.689709825e-01 5.08 -1.614295261e-01 -1.614295261e-01 5.10 -1.542206950e-01 -1.542206950e-01 5.12 -1.473493788e-01 -1.473493788e-01 5.14 -1.408162262e-01 -1.408162262e-01 5.16 -1.346175828e-01 -1.346175828e-01 5.18 -1.287457097e-01 -1.287457097e-01 5.20 -1.231889092e-01 -1.231889092e-01 5.22 -1.179326638e-01 -1.179326638e-01 5.24 -1.129605328e-01 -1.129605328e-01 5.26 -1.082542702e-01 -1.082542702e-01 5.28 -1.037945275e-01 -1.037945275e-01 5.30 -9.956146801e-02 -9.956146801e-02 5.32 -9.553527209e-02 -9.553527209e-02 5.34 -9.169653001e-02 -9.169653001e-02 5.36 -8.802652957e-02 -8.802652957e-02 5.38 -8.450745300e-02 -8.450745300e-02 5.40 -8.112250108e-02 -8.112250108e-02 5.42 -7.785596313e-02 -7.785596313e-02 5.44 -7.469325104e-02 -7.469325104e-02 5.46 -7.162091310e-02 -7.162091310e-02 5.48 -6.862664155e-02 -6.862664155e-02 5.50 -6.569928440e-02 -6.569928440e-02 5.52 -6.282887007e-02 -6.282887007e-02 5.54 -6.000664970e-02 -6.000664970e-02 5.56 -5.722515980e-02 -5.722515980e-02 5.58 -5.447830420e-02 -5.447830420e-02 5.60 -5.176145121e-02 -5.176145121e-02 5.62 -4.907153823e-02 -4.907153823e-02 5.64 -4.640717260e-02 -4.640717260e-02 5.66 -4.376871384e-02 -4.376871384e-02 5.68 -4.115832304e-02 -4.115832304e-02 5.70 -3.857995746e-02 -3.857995746e-02 5.72 -3.603929636e-02 -3.603929636e-02 5.74 -3.354358468e-02 -3.354358468e-02 5.76 -3.110138760e-02 -3.110138760e-02 5.78 -2.872225860e-02 -2.872225860e-02 5.80 -2.641632713e-02 -2.641632713e-02 5.82 -2.419383809e-02 -2.419383809e-02 5.84 -2.206466804e-02 -2.206466804e-02 5.86 -2.003785233e-02 -2.003785233e-02 5.88 -1.812116123e-02 -1.812116123e-02 5.90 -1.632075709e-02 -1.632075709e-02 5.92 -1.464084383e-02 -1.464084383e-02 5.94 -1.308350750e-02 -1.308350750e-02 5.96 -1.164931783e-02 -1.164931783e-02 5.98 -1.033694296e-02 -1.033694296e-02 6.00 -9.143311515e-03 -9.143311515e-03