# 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 = CoPbW2 # 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 4.146206017e+02 4.146206017e+02 1.30 3.847037116e+02 3.847037116e+02 1.32 3.570118421e+02 3.570118421e+02 1.34 3.313577676e+02 3.313577676e+02 1.36 3.075735064e+02 3.075735064e+02 1.38 2.855089737e+02 2.855089737e+02 1.40 2.650305217e+02 2.650305217e+02 1.42 2.460184349e+02 2.460184349e+02 1.44 2.283636873e+02 2.283636873e+02 1.46 2.119651142e+02 2.119651142e+02 1.48 1.967280175e+02 1.967280175e+02 1.50 1.825642560e+02 1.825642560e+02 1.52 1.693929085e+02 1.693929085e+02 1.54 1.571405233e+02 1.571405233e+02 1.56 1.457406409e+02 1.457406409e+02 1.58 1.351328105e+02 1.351328105e+02 1.60 1.252614123e+02 1.252614123e+02 1.62 1.160745973e+02 1.160745973e+02 1.64 1.075235125e+02 1.075235125e+02 1.66 9.956190975e+01 9.956190975e+01 1.68 9.214609174e+01 9.214609174e+01 1.70 8.523511566e+01 8.523511566e+01 1.72 7.879108848e+01 7.879108848e+01 1.74 7.277946467e+01 7.277946467e+01 1.76 6.716928219e+01 6.716928219e+01 1.78 6.193324671e+01 6.193324671e+01 1.80 5.704753186e+01 5.704753186e+01 1.82 5.249130313e+01 5.249130313e+01 1.84 4.824687333e+01 4.824687333e+01 1.86 4.429711787e+01 4.429711787e+01 1.88 4.062513760e+01 4.062513760e+01 1.90 3.721655965e+01 3.721655965e+01 1.92 3.406093132e+01 3.406093132e+01 1.94 3.114122464e+01 3.114122464e+01 1.96 2.844045714e+01 2.844045714e+01 1.98 2.594233373e+01 2.594233373e+01 2.00 2.363137348e+01 2.363137348e+01 2.02 2.149299824e+01 2.149299824e+01 2.04 1.951355293e+01 1.951355293e+01 2.06 1.768026122e+01 1.768026122e+01 2.08 1.598115466e+01 1.598115466e+01 2.10 1.440502517e+01 1.440502517e+01 2.12 1.294142947e+01 1.294142947e+01 2.14 1.158073973e+01 1.158073973e+01 2.16 1.031421929e+01 1.031421929e+01 2.18 9.134084805e+00 9.134084805e+00 2.20 8.033517722e+00 8.033517722e+00 2.22 7.006615585e+00 7.006615585e+00 2.24 6.048284945e+00 6.048284945e+00 2.26 5.154100756e+00 5.154100756e+00 2.28 4.320155834e+00 4.320155834e+00 2.30 3.542929899e+00 3.542929899e+00 2.32 2.819175536e+00 2.819175536e+00 2.34 2.145847688e+00 2.145847688e+00 2.36 1.520051504e+00 1.520051504e+00 2.38 9.390202176e-01 9.390202176e-01 2.40 4.001095537e-01 4.001095537e-01 2.42 -9.919631310e-02 -9.919631310e-02 2.44 -5.612179174e-01 -5.612179174e-01 2.46 -9.880644484e-01 -9.880644484e-01 2.48 -1.381976120e+00 -1.381976120e+00 2.50 -1.745034964e+00 -1.745034964e+00 2.52 -2.079154287e+00 -2.079154287e+00 2.54 -2.386096533e+00 -2.386096533e+00 2.56 -2.667490839e+00 -2.667490839e+00 2.58 -2.924846963e+00 -2.924846963e+00 2.60 -3.159490403e+00 -3.159490403e+00 2.62 -3.372178487e+00 -3.372178487e+00 2.64 -3.563484891e+00 -3.563484891e+00 2.66 -3.734012108e+00 -3.734012108e+00 2.68 -3.884386127e+00 -3.884386127e+00 2.70 -4.015253807e+00 -4.015253807e+00 2.72 -4.127284860e+00 -4.127284860e+00 2.74 -4.221173973e+00 -4.221173973e+00 2.76 -4.297641012e+00 -4.297641012e+00 2.78 -4.357429283e+00 -4.357429283e+00 2.80 -4.401303360e+00 -4.401303360e+00 2.82 -4.430065087e+00 -4.430065087e+00 2.84 -4.444547857e+00 -4.444547857e+00 2.86 -4.445550709e+00 -4.445550709e+00 2.88 -4.433917137e+00 -4.433917137e+00 2.90 -4.410549392e+00 -4.410549392e+00 2.92 -4.376418064e+00 -4.376418064e+00 2.94 -4.332567631e+00 -4.332567631e+00 2.96 -4.280114562e+00 -4.280114562e+00 2.98 -4.220233999e+00 -4.220233999e+00 3.00 -4.154099809e+00 -4.154099809e+00 3.02 -4.082849857e+00 -4.082849857e+00 3.04 -4.007593021e+00 -4.007593021e+00 3.06 -3.929369020e+00 -3.929369020e+00 3.08 -3.849104318e+00 -3.849104318e+00 3.10 -3.767582336e+00 -3.767582336e+00 3.12 -3.685422886e+00 -3.685422886e+00 3.14 -3.603081692e+00 -3.603081692e+00 3.16 -3.520851062e+00 -3.520851062e+00 3.18 -3.438881963e+00 -3.438881963e+00 3.20 -3.357205323e+00 -3.357205323e+00 3.22 -3.275756962e+00 -3.275756962e+00 3.24 -3.194402664e+00 -3.194402664e+00 3.26 -3.112962357e+00 -3.112962357e+00 3.28 -3.031233157e+00 -3.031233157e+00 3.30 -2.949011266e+00 -2.949011266e+00 3.32 -2.866113744e+00 -2.866113744e+00 3.34 -2.782468760e+00 -2.782468760e+00 3.36 -2.697900386e+00 -2.697900386e+00 3.38 -2.612229583e+00 -2.612229583e+00 3.40 -2.525392700e+00 -2.525392700e+00 3.42 -2.437440874e+00 -2.437440874e+00 3.44 -2.348475242e+00 -2.348475242e+00 3.46 -2.258699036e+00 -2.258699036e+00 3.48 -2.168449082e+00 -2.168449082e+00 3.50 -2.078173506e+00 -2.078173506e+00 3.52 -1.988400901e+00 -1.988400901e+00 3.54 -1.899704063e+00 -1.899704063e+00 3.56 -1.812662098e+00 -1.812662098e+00 3.58 -1.727824843e+00 -1.727824843e+00 3.60 -1.645683032e+00 -1.645683032e+00 3.62 -1.566646574e+00 -1.566646574e+00 3.64 -1.491031907e+00 -1.491031907e+00 3.66 -1.419058101e+00 -1.419058101e+00 3.68 -1.350850362e+00 -1.350850362e+00 3.70 -1.286448979e+00 -1.286448979e+00 3.72 -1.225821595e+00 -1.225821595e+00 3.74 -1.168876884e+00 -1.168876884e+00 3.76 -1.115478137e+00 -1.115478137e+00 3.78 -1.065455760e+00 -1.065455760e+00 3.80 -1.018618162e+00 -1.018618162e+00 3.82 -9.747608812e-01 -9.747608812e-01 3.84 -9.336740014e-01 -9.336740014e-01 3.86 -8.951480471e-01 -8.951480471e-01 3.88 -8.589785458e-01 -8.589785458e-01 3.90 -8.249694413e-01 -8.249694413e-01 3.92 -7.929351565e-01 -7.929351565e-01 3.94 -7.627036492e-01 -7.627036492e-01 3.96 -7.341149062e-01 -7.341149062e-01 3.98 -7.070228591e-01 -7.070228591e-01 4.00 -6.812947533e-01 -6.812947533e-01 4.02 -6.568106369e-01 -6.568106369e-01 4.04 -6.334626455e-01 -6.334626455e-01 4.06 -6.111541870e-01 -6.111541870e-01 4.08 -5.897991074e-01 -5.897991074e-01 4.10 -5.693194440e-01 -5.693194440e-01 4.12 -5.496508207e-01 -5.496508207e-01 4.14 -5.307322462e-01 -5.307322462e-01 4.16 -5.125123539e-01 -5.125123539e-01 4.18 -4.949471819e-01 -4.949471819e-01 4.20 -4.779997602e-01 -4.779997602e-01 4.22 -4.616396498e-01 -4.616396498e-01 4.24 -4.458423731e-01 -4.458423731e-01 4.26 -4.305886692e-01 -4.305886692e-01 4.28 -4.158635484e-01 -4.158635484e-01 4.30 -4.016551546e-01 -4.016551546e-01 4.32 -3.879535098e-01 -3.879535098e-01 4.34 -3.747492534e-01 -3.747492534e-01 4.36 -3.620325084e-01 -3.620325084e-01 4.38 -3.497916346e-01 -3.497916346e-01 4.40 -3.380130261e-01 -3.380130261e-01 4.42 -3.266818462e-01 -3.266818462e-01 4.44 -3.157809766e-01 -3.157809766e-01 4.46 -3.052914108e-01 -3.052914108e-01 4.48 -2.951928100e-01 -2.951928100e-01 4.50 -2.854640856e-01 -2.854640856e-01 4.52 -2.760839352e-01 -2.760839352e-01 4.54 -2.670312854e-01 -2.670312854e-01 4.56 -2.582856253e-01 -2.582856253e-01 4.58 -2.498272330e-01 -2.498272330e-01 4.60 -2.416373133e-01 -2.416373133e-01 4.62 -2.336980687e-01 -2.336980687e-01 4.64 -2.259927293e-01 -2.259927293e-01 4.66 -2.185055638e-01 -2.185055638e-01 4.68 -2.112218928e-01 -2.112218928e-01 4.70 -2.041281179e-01 -2.041281179e-01 4.72 -1.972117800e-01 -1.972117800e-01 4.74 -1.904616519e-01 -1.904616519e-01 4.76 -1.838678665e-01 -1.838678665e-01 4.78 -1.774220758e-01 -1.774220758e-01 4.80 -1.711168325e-01 -1.711168325e-01 4.82 -1.649490776e-01 -1.649490776e-01 4.84 -1.589151125e-01 -1.589151125e-01 4.86 -1.530143013e-01 -1.530143013e-01 4.88 -1.472481219e-01 -1.472481219e-01 4.90 -1.416200423e-01 -1.416200423e-01 4.92 -1.361352554e-01 -1.361352554e-01 4.94 -1.308002660e-01 -1.308002660e-01 4.96 -1.256223513e-01 -1.256223513e-01 4.98 -1.206089326e-01 -1.206089326e-01 5.00 -1.157669201e-01 -1.157669201e-01 5.02 -1.111020997e-01 -1.111020997e-01 5.04 -1.066186272e-01 -1.066186272e-01 5.06 -1.023186849e-01 -1.023186849e-01 5.08 -9.820232550e-02 -9.820232550e-02 5.10 -9.426750678e-02 -9.426750678e-02 5.12 -9.051029028e-02 -9.051029028e-02 5.14 -8.692516217e-02 -8.692516217e-02 5.16 -8.350542403e-02 -8.350542403e-02 5.18 -8.024360292e-02 -8.024360292e-02 5.20 -7.713183700e-02 -7.713183700e-02 5.22 -7.416220544e-02 -7.416220544e-02 5.24 -7.132698384e-02 -7.132698384e-02 5.26 -6.861880843e-02 -6.861880843e-02 5.28 -6.603073189e-02 -6.603073189e-02 5.30 -6.355638617e-02 -6.355638617e-02 5.32 -6.118989421e-02 -6.118989421e-02 5.34 -5.892579696e-02 -5.892579696e-02 5.36 -5.675897747e-02 -5.675897747e-02 5.38 -5.468457968e-02 -5.468457968e-02 5.40 -5.269793273e-02 -5.269793273e-02 5.42 -5.079448843e-02 -5.079448843e-02 5.44 -4.896977564e-02 -4.896977564e-02 5.46 -4.721937272e-02 -4.721937272e-02 5.48 -4.553889655e-02 -4.553889655e-02 5.50 -4.392400527e-02 -4.392400527e-02 5.52 -4.237041105e-02 -4.237041105e-02 5.54 -4.087389912e-02 -4.087389912e-02 5.56 -3.943034976e-02 -3.943034976e-02 5.58 -3.803576051e-02 -3.803576051e-02 5.60 -3.668626690e-02 -3.668626690e-02 5.62 -3.537816066e-02 -3.537816066e-02 5.64 -3.410790475e-02 -3.410790475e-02 5.66 -3.287214608e-02 -3.287214608e-02 5.68 -3.166772589e-02 -3.166772589e-02 5.70 -3.049168899e-02 -3.049168899e-02 5.72 -2.934129241e-02 -2.934129241e-02 5.74 -2.821401457e-02 -2.821401457e-02 5.76 -2.710756547e-02 -2.710756547e-02 5.78 -2.601989851e-02 -2.601989851e-02 5.80 -2.494922412e-02 -2.494922412e-02 5.82 -2.389402522e-02 -2.389402522e-02 5.84 -2.285307399e-02 -2.285307399e-02 5.86 -2.182544934e-02 -2.182544934e-02 5.88 -2.081055392e-02 -2.081055392e-02 5.90 -1.980812916e-02 -1.980812916e-02 5.92 -1.881826675e-02 -1.881826675e-02 5.94 -1.784140078e-02 -1.784140078e-02 5.96 -1.687825392e-02 -1.687825392e-02 5.98 -1.592997767e-02 -1.592997767e-02 6.00 -1.499806020e-02 -1.499806020e-02