# 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 = CuPdTi2 # 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 2.378917912e+02 2.378917912e+02 1.30 2.202200821e+02 2.202200821e+02 1.32 2.038715987e+02 2.038715987e+02 1.34 1.887424495e+02 1.887424495e+02 1.36 1.747346872e+02 1.747346872e+02 1.38 1.617564093e+02 1.617564093e+02 1.40 1.497227902e+02 1.497227902e+02 1.42 1.385570391e+02 1.385570391e+02 1.44 1.281906505e+02 1.281906505e+02 1.46 1.185626538e+02 1.185626538e+02 1.48 1.096181240e+02 1.096181240e+02 1.50 1.013067046e+02 1.013067046e+02 1.52 9.358165981e+01 9.358165981e+01 1.54 8.639942172e+01 8.639942172e+01 1.56 7.971935368e+01 7.971935368e+01 1.58 7.350357774e+01 7.350357774e+01 1.60 6.771696482e+01 6.771696482e+01 1.62 6.232736351e+01 6.232736351e+01 1.64 5.730584904e+01 5.730584904e+01 1.66 5.262667038e+01 5.262667038e+01 1.68 4.826685757e+01 4.826685757e+01 1.70 4.420569217e+01 4.420569217e+01 1.72 4.042417073e+01 4.042417073e+01 1.74 3.690462588e+01 3.690462588e+01 1.76 3.363065065e+01 3.363065065e+01 1.78 3.059687637e+01 3.059687637e+01 1.80 2.779041240e+01 2.779041240e+01 1.82 2.519371013e+01 2.519371013e+01 1.84 2.279049848e+01 2.279049848e+01 1.86 2.056584883e+01 2.056584883e+01 1.88 1.850613951e+01 1.850613951e+01 1.90 1.659897466e+01 1.659897466e+01 1.92 1.483309391e+01 1.483309391e+01 1.94 1.319827832e+01 1.319827832e+01 1.96 1.168525224e+01 1.168525224e+01 1.98 1.028557636e+01 1.028557636e+01 2.00 8.991524522e+00 8.991524522e+00 2.02 7.795946660e+00 7.795946660e+00 2.04 6.692143282e+00 6.692143282e+00 2.06 5.673785891e+00 5.673785891e+00 2.08 4.734899806e+00 4.734899806e+00 2.10 3.869891579e+00 3.869891579e+00 2.12 3.073580377e+00 3.073580377e+00 2.14 2.341201576e+00 2.341201576e+00 2.16 1.668376578e+00 1.668376578e+00 2.18 1.051060317e+00 1.051060317e+00 2.20 4.854809631e-01 4.854809631e-01 2.22 -3.191868909e-02 -3.191868909e-02 2.24 -5.045289470e-01 -5.045289470e-01 2.26 -9.356024107e-01 -9.356024107e-01 2.28 -1.328261323e+00 -1.328261323e+00 2.30 -1.685485430e+00 -1.685485430e+00 2.32 -2.010089418e+00 -2.010089418e+00 2.34 -2.304695156e+00 -2.304695156e+00 2.36 -2.571707897e+00 -2.571707897e+00 2.38 -2.813304235e+00 -2.813304235e+00 2.40 -3.031439373e+00 -3.031439373e+00 2.42 -3.227873445e+00 -3.227873445e+00 2.44 -3.404208582e+00 -3.404208582e+00 2.46 -3.561926320e+00 -3.561926320e+00 2.48 -3.702415853e+00 -3.702415853e+00 2.50 -3.826988270e+00 -3.826988270e+00 2.52 -3.936876555e+00 -3.936876555e+00 2.54 -4.033226064e+00 -4.033226064e+00 2.56 -4.117083392e+00 -4.117083392e+00 2.58 -4.189460332e+00 -4.189460332e+00 2.60 -4.251225933e+00 -4.251225933e+00 2.62 -4.303022959e+00 -4.303022959e+00 2.64 -4.345460465e+00 -4.345460465e+00 2.66 -4.379126611e+00 -4.379126611e+00 2.68 -4.404597364e+00 -4.404597364e+00 2.70 -4.422439679e+00 -4.422439679e+00 2.72 -4.433209163e+00 -4.433209163e+00 2.74 -4.437404163e+00 -4.437404163e+00 2.76 -4.435331581e+00 -4.435331581e+00 2.78 -4.427364197e+00 -4.427364197e+00 2.80 -4.414090033e+00 -4.414090033e+00 2.82 -4.395816675e+00 -4.395816675e+00 2.84 -4.372527722e+00 -4.372527722e+00 2.86 -4.344254054e+00 -4.344254054e+00 2.88 -4.311102348e+00 -4.311102348e+00 2.90 -4.273249704e+00 -4.273249704e+00 2.92 -4.230936072e+00 -4.230936072e+00 2.94 -4.184454954e+00 -4.184454954e+00 2.96 -4.134165045e+00 -4.134165045e+00 2.98 -4.080486345e+00 -4.080486345e+00 3.00 -4.023864686e+00 -4.023864686e+00 3.02 -3.964741724e+00 -3.964741724e+00 3.04 -3.903542396e+00 -3.903542396e+00 3.06 -3.840664340e+00 -3.840664340e+00 3.08 -3.776465659e+00 -3.776465659e+00 3.10 -3.711255236e+00 -3.711255236e+00 3.12 -3.645287049e+00 -3.645287049e+00 3.14 -3.578760915e+00 -3.578760915e+00 3.16 -3.511827859e+00 -3.511827859e+00 3.18 -3.444599619e+00 -3.444599619e+00 3.20 -3.377158643e+00 -3.377158643e+00 3.22 -3.309567267e+00 -3.309567267e+00 3.24 -3.241875110e+00 -3.241875110e+00 3.26 -3.174124586e+00 -3.174124586e+00 3.28 -3.106354833e+00 -3.106354833e+00 3.30 -3.038604483e+00 -3.038604483e+00 3.32 -2.970913652e+00 -2.970913652e+00 3.34 -2.903325389e+00 -2.903325389e+00 3.36 -2.835886746e+00 -2.835886746e+00 3.38 -2.768649595e+00 -2.768649595e+00 3.40 -2.701671289e+00 -2.701671289e+00 3.42 -2.635015434e+00 -2.635015434e+00 3.44 -2.568752433e+00 -2.568752433e+00 3.46 -2.502960332e+00 -2.502960332e+00 3.48 -2.437725318e+00 -2.437725318e+00 3.50 -2.373141653e+00 -2.373141653e+00 3.52 -2.309310504e+00 -2.309310504e+00 3.54 -2.246337227e+00 -2.246337227e+00 3.56 -2.184326935e+00 -2.184326935e+00 3.58 -2.123378709e+00 -2.123378709e+00 3.60 -2.063579339e+00 -2.063579339e+00 3.62 -2.004997795e+00 -2.004997795e+00 3.64 -1.947681593e+00 -1.947681593e+00 3.66 -1.891655768e+00 -1.891655768e+00 3.68 -1.836924490e+00 -1.836924490e+00 3.70 -1.783474794e+00 -1.783474794e+00 3.72 -1.731281531e+00 -1.731281531e+00 3.74 -1.680312608e+00 -1.680312608e+00 3.76 -1.630533754e+00 -1.630533754e+00 3.78 -1.581912297e+00 -1.581912297e+00 3.80 -1.534419695e+00 -1.534419695e+00 3.82 -1.488032791e+00 -1.488032791e+00 3.84 -1.442733882e+00 -1.442733882e+00 3.86 -1.398509851e+00 -1.398509851e+00 3.88 -1.355350672e+00 -1.355350672e+00 3.90 -1.313247643e+00 -1.313247643e+00 3.92 -1.272191655e+00 -1.272191655e+00 3.94 -1.232172065e+00 -1.232172065e+00 3.96 -1.193175584e+00 -1.193175584e+00 3.98 -1.155186288e+00 -1.155186288e+00 4.00 -1.118185856e+00 -1.118185856e+00 4.02 -1.082154216e+00 -1.082154216e+00 4.04 -1.047070368e+00 -1.047070368e+00 4.06 -1.012913169e+00 -1.012913169e+00 4.08 -9.796619265e-01 -9.796619265e-01 4.10 -9.472965959e-01 -9.472965959e-01 4.12 -9.157982346e-01 -9.157982346e-01 4.14 -8.851479385e-01 -8.851479385e-01 4.16 -8.553268668e-01 -8.553268668e-01 4.18 -8.263155365e-01 -8.263155365e-01 4.20 -7.980933499e-01 -7.980933499e-01 4.22 -7.706383487e-01 -7.706383487e-01 4.24 -7.439272856e-01 -7.439272856e-01 4.26 -7.179360427e-01 -7.179360427e-01 4.28 -6.926403638e-01 -6.926403638e-01 4.30 -6.680168030e-01 -6.680168030e-01 4.32 -6.440437599e-01 -6.440437599e-01 4.34 -6.207024438e-01 -6.207024438e-01 4.36 -5.979776198e-01 -5.979776198e-01 4.38 -5.758580110e-01 -5.758580110e-01 4.40 -5.543362764e-01 -5.543362764e-01 4.42 -5.334085422e-01 -5.334085422e-01 4.44 -5.130735276e-01 -5.130735276e-01 4.46 -4.933313702e-01 -4.933313702e-01 4.48 -4.741823030e-01 -4.741823030e-01 4.50 -4.556253625e-01 -4.556253625e-01 4.52 -4.376572997e-01 -4.376572997e-01 4.54 -4.202718357e-01 -4.202718357e-01 4.56 -4.034593429e-01 -4.034593429e-01 4.58 -3.872069688e-01 -3.872069688e-01 4.60 -3.714991538e-01 -3.714991538e-01 4.62 -3.563184439e-01 -3.563184439e-01 4.64 -3.416464696e-01 -3.416464696e-01 4.66 -3.274649528e-01 -3.274649528e-01 4.68 -3.137566148e-01 -3.137566148e-01 4.70 -3.005058860e-01 -3.005058860e-01 4.72 -2.876993485e-01 -2.876993485e-01 4.74 -2.753258883e-01 -2.753258883e-01 4.76 -2.633765697e-01 -2.633765697e-01 4.78 -2.518442810e-01 -2.518442810e-01 4.80 -2.407231479e-01 -2.407231479e-01 4.82 -2.300083159e-01 -2.300083159e-01 4.84 -2.196948814e-01 -2.196948814e-01 4.86 -2.097778542e-01 -2.097778542e-01 4.88 -2.002518059e-01 -2.002518059e-01 4.90 -1.911107960e-01 -1.911107960e-01 4.92 -1.823484550e-01 -1.823484550e-01 4.94 -1.739581717e-01 -1.739581717e-01 4.96 -1.659333152e-01 -1.659333152e-01 4.98 -1.582674145e-01 -1.582674145e-01 5.00 -1.509542360e-01 -1.509542360e-01 5.02 -1.439877198e-01 -1.439877198e-01 5.04 -1.373617717e-01 -1.373617717e-01 5.06 -1.310699392e-01 -1.310699392e-01 5.08 -1.251050293e-01 -1.251050293e-01 5.10 -1.194587334e-01 -1.194587334e-01 5.12 -1.141213219e-01 -1.141213219e-01 5.14 -1.090810788e-01 -1.090810788e-01 5.16 -1.043250721e-01 -1.043250721e-01 5.18 -9.983914323e-02 -9.983914323e-02 5.20 -9.560772529e-02 -9.560772529e-02 5.22 -9.161421376e-02 -9.161421376e-02 5.24 -8.784136938e-02 -8.784136938e-02 5.26 -8.427171303e-02 -8.427171303e-02 5.28 -8.088788176e-02 -8.088788176e-02 5.30 -7.767292594e-02 -7.767292594e-02 5.32 -7.461053881e-02 -7.461053881e-02 5.34 -7.168521861e-02 -7.168521861e-02 5.36 -6.888237008e-02 -6.888237008e-02 5.38 -6.618835607e-02 -6.618835607e-02 5.40 -6.359051187e-02 -6.359051187e-02 5.42 -6.107713469e-02 -6.107713469e-02 5.44 -5.863746022e-02 -5.863746022e-02 5.46 -5.626163617e-02 -5.626163617e-02 5.48 -5.394070141e-02 -5.394070141e-02 5.50 -5.166657706e-02 -5.166657706e-02 5.52 -4.943207404e-02 -4.943207404e-02 5.54 -4.723091986e-02 -4.723091986e-02 5.56 -4.505780498e-02 -4.505780498e-02 5.58 -4.290844704e-02 -4.290844704e-02 5.60 -4.077966898e-02 -4.077966898e-02 5.62 -3.866948401e-02 -3.866948401e-02 5.64 -3.657717847e-02 -3.657717847e-02 5.66 -3.450338090e-02 -3.450338090e-02 5.68 -3.245010169e-02 -3.245010169e-02 5.70 -3.042073307e-02 -3.042073307e-02 5.72 -2.841999383e-02 -2.841999383e-02 5.74 -2.645380847e-02 -2.645380847e-02 5.76 -2.452911566e-02 -2.452911566e-02 5.78 -2.265360714e-02 -2.265360714e-02 5.80 -2.083540941e-02 -2.083540941e-02 5.82 -1.908271937e-02 -1.908271937e-02 5.84 -1.740342223e-02 -1.740342223e-02 5.86 -1.580472042e-02 -1.580472042e-02 5.88 -1.429280119e-02 -1.429280119e-02 5.90 -1.287256845e-02 -1.287256845e-02 5.92 -1.154739516e-02 -1.154739516e-02 5.94 -1.031900802e-02 -1.031900802e-02 5.96 -9.187821267e-03 -9.187821267e-03 5.98 -8.152751568e-03 -8.152751568e-03 6.00 -7.211353724e-03 -7.211353724e-03