# 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 = Al2FePb # 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 1.762493666e+02 1.762493666e+02 1.30 1.637468656e+02 1.637468656e+02 1.32 1.521565868e+02 1.521565868e+02 1.34 1.414058603e+02 1.414058603e+02 1.36 1.314264221e+02 1.314264221e+02 1.38 1.221551206e+02 1.221551206e+02 1.40 1.135345124e+02 1.135345124e+02 1.42 1.055129492e+02 1.055129492e+02 1.44 9.804412802e+01 9.804412802e+01 1.46 9.108643085e+01 9.108643085e+01 1.48 8.460236951e+01 8.460236951e+01 1.50 7.855806508e+01 7.855806508e+01 1.52 7.292260593e+01 7.292260593e+01 1.54 6.766733216e+01 6.766733216e+01 1.56 6.276530099e+01 6.276530099e+01 1.58 5.819109199e+01 5.819109199e+01 1.60 5.392091142e+01 5.392091142e+01 1.62 4.993375000e+01 4.993375000e+01 1.64 4.621629062e+01 4.621629062e+01 1.66 4.275124385e+01 4.275124385e+01 1.68 3.952356891e+01 3.952356891e+01 1.70 3.651994936e+01 3.651994936e+01 1.72 3.372520286e+01 3.372520286e+01 1.74 3.112477159e+01 3.112477159e+01 1.76 2.870467816e+01 2.870467816e+01 1.78 2.645160792e+01 2.645160792e+01 1.80 2.435308199e+01 2.435308199e+01 1.82 2.239763836e+01 2.239763836e+01 1.84 2.057492270e+01 2.057492270e+01 1.86 1.887563784e+01 1.887563784e+01 1.88 1.729139127e+01 1.729139127e+01 1.90 1.581448870e+01 1.581448870e+01 1.92 1.443774497e+01 1.443774497e+01 1.94 1.315434752e+01 1.315434752e+01 1.96 1.195779387e+01 1.195779387e+01 1.98 1.084189720e+01 1.084189720e+01 2.00 9.800829397e+00 9.800829397e+00 2.02 8.829174405e+00 8.829174405e+00 2.04 7.921968219e+00 7.921968219e+00 2.06 7.074712506e+00 7.074712506e+00 2.08 6.283353262e+00 6.283353262e+00 2.10 5.544232866e+00 5.544232866e+00 2.12 4.854023812e+00 4.854023812e+00 2.14 4.209663647e+00 4.209663647e+00 2.16 3.608304374e+00 3.608304374e+00 2.18 3.047282680e+00 3.047282680e+00 2.20 2.524107372e+00 2.524107372e+00 2.22 2.036458829e+00 2.036458829e+00 2.24 1.582188542e+00 1.582188542e+00 2.26 1.159314035e+00 1.159314035e+00 2.28 7.660047189e-01 7.660047189e-01 2.30 4.005712290e-01 4.005712290e-01 2.32 6.144634798e-02 6.144634798e-02 2.34 -2.528235843e-01 -2.528235843e-01 2.36 -5.435907218e-01 -5.435907218e-01 2.38 -8.121146739e-01 -8.121146739e-01 2.40 -1.059573691e+00 -1.059573691e+00 2.42 -1.287078945e+00 -1.287078945e+00 2.44 -1.495691925e+00 -1.495691925e+00 2.46 -1.686442731e+00 -1.686442731e+00 2.48 -1.860346410e+00 -1.860346410e+00 2.50 -2.018414784e+00 -2.018414784e+00 2.52 -2.161663289e+00 -2.161663289e+00 2.54 -2.291114222e+00 -2.291114222e+00 2.56 -2.407797937e+00 -2.407797937e+00 2.58 -2.512751193e+00 -2.512751193e+00 2.60 -2.607008829e+00 -2.607008829e+00 2.62 -2.691584106e+00 -2.691584106e+00 2.64 -2.767439628e+00 -2.767439628e+00 2.66 -2.835448547e+00 -2.835448547e+00 2.68 -2.896372902e+00 -2.896372902e+00 2.70 -2.951765667e+00 -2.951765667e+00 2.72 -3.002421343e+00 -3.002421343e+00 2.74 -3.048227938e+00 -3.048227938e+00 2.76 -3.089066014e+00 -3.089066014e+00 2.78 -3.124819356e+00 -3.124819356e+00 2.80 -3.155387522e+00 -3.155387522e+00 2.82 -3.180693974e+00 -3.180693974e+00 2.84 -3.200693516e+00 -3.200693516e+00 2.86 -3.215373596e+00 -3.215373596e+00 2.88 -3.224732673e+00 -3.224732673e+00 2.90 -3.228799691e+00 -3.228799691e+00 2.92 -3.227648586e+00 -3.227648586e+00 2.94 -3.221397226e+00 -3.221397226e+00 2.96 -3.210208296e+00 -3.210208296e+00 2.98 -3.194291943e+00 -3.194291943e+00 3.00 -3.173908992e+00 -3.173908992e+00 3.02 -3.149372680e+00 -3.149372680e+00 3.04 -3.121045841e+00 -3.121045841e+00 3.06 -3.089334614e+00 -3.089334614e+00 3.08 -3.054675234e+00 -3.054675234e+00 3.10 -3.017528050e+00 -3.017528050e+00 3.12 -2.978301345e+00 -2.978301345e+00 3.14 -2.937372425e+00 -2.937372425e+00 3.16 -2.895077299e+00 -2.895077299e+00 3.18 -2.851708507e+00 -2.851708507e+00 3.20 -2.807516151e+00 -2.807516151e+00 3.22 -2.762713916e+00 -2.762713916e+00 3.24 -2.717486561e+00 -2.717486561e+00 3.26 -2.671996755e+00 -2.671996755e+00 3.28 -2.626390080e+00 -2.626390080e+00 3.30 -2.580797392e+00 -2.580797392e+00 3.32 -2.535333431e+00 -2.535333431e+00 3.34 -2.490098068e+00 -2.490098068e+00 3.36 -2.445177686e+00 -2.445177686e+00 3.38 -2.400644183e+00 -2.400644183e+00 3.40 -2.356554417e+00 -2.356554417e+00 3.42 -2.312951195e+00 -2.312951195e+00 3.44 -2.269863421e+00 -2.269863421e+00 3.46 -2.227308583e+00 -2.227308583e+00 3.48 -2.185294750e+00 -2.185294750e+00 3.50 -2.143822886e+00 -2.143822886e+00 3.52 -2.102889069e+00 -2.102889069e+00 3.54 -2.062486447e+00 -2.062486447e+00 3.56 -2.022606863e+00 -2.022606863e+00 3.58 -1.983242126e+00 -1.983242126e+00 3.60 -1.944384951e+00 -1.944384951e+00 3.62 -1.906029604e+00 -1.906029604e+00 3.64 -1.868172295e+00 -1.868172295e+00 3.66 -1.830811321e+00 -1.830811321e+00 3.68 -1.793946979e+00 -1.793946979e+00 3.70 -1.757581222e+00 -1.757581222e+00 3.72 -1.721717087e+00 -1.721717087e+00 3.74 -1.686357899e+00 -1.686357899e+00 3.76 -1.651506328e+00 -1.651506328e+00 3.78 -1.617163400e+00 -1.617163400e+00 3.80 -1.583327582e+00 -1.583327582e+00 3.82 -1.549994059e+00 -1.549994059e+00 3.84 -1.517154304e+00 -1.517154304e+00 3.86 -1.484795959e+00 -1.484795959e+00 3.88 -1.452903028e+00 -1.452903028e+00 3.90 -1.421456306e+00 -1.421456306e+00 3.92 -1.390433593e+00 -1.390433593e+00 3.94 -1.359811882e+00 -1.359811882e+00 3.96 -1.329565541e+00 -1.329565541e+00 3.98 -1.299668601e+00 -1.299668601e+00 4.00 -1.270094798e+00 -1.270094798e+00 4.02 -1.240818023e+00 -1.240818023e+00 4.04 -1.211812770e+00 -1.211812770e+00 4.06 -1.183054636e+00 -1.183054636e+00 4.08 -1.154520940e+00 -1.154520940e+00 4.10 -1.126190410e+00 -1.126190410e+00 4.12 -1.098048761e+00 -1.098048761e+00 4.14 -1.070082673e+00 -1.070082673e+00 4.16 -1.042286206e+00 -1.042286206e+00 4.18 -1.014660879e+00 -1.014660879e+00 4.20 -9.872170140e-01 -9.872170140e-01 4.22 -9.599747986e-01 -9.599747986e-01 4.24 -9.329648646e-01 -9.329648646e-01 4.26 -9.062281522e-01 -9.062281522e-01 4.28 -8.798149011e-01 -8.798149011e-01 4.30 -8.537826922e-01 -8.537826922e-01 4.32 -8.281936003e-01 -8.281936003e-01 4.34 -8.031106612e-01 -8.031106612e-01 4.36 -7.785939872e-01 -7.785939872e-01 4.38 -7.546969431e-01 -7.546969431e-01 4.40 -7.314627984e-01 -7.314627984e-01 4.42 -7.089222003e-01 -7.089222003e-01 4.44 -6.870916803e-01 -6.870916803e-01 4.46 -6.659732479e-01 -6.659732479e-01 4.48 -6.455549745e-01 -6.455549745e-01 4.50 -6.258123639e-01 -6.258123639e-01 4.52 -6.067102453e-01 -6.067102453e-01 4.54 -5.882049250e-01 -5.882049250e-01 4.56 -5.702463694e-01 -5.702463694e-01 4.58 -5.527802532e-01 -5.527802532e-01 4.60 -5.357497744e-01 -5.357497744e-01 4.62 -5.190971994e-01 -5.190971994e-01 4.64 -5.027651509e-01 -5.027651509e-01 4.66 -4.866976820e-01 -4.866976820e-01 4.68 -4.708412021e-01 -4.708412021e-01 4.70 -4.551453213e-01 -4.551453213e-01 4.72 -4.395636779e-01 -4.395636779e-01 4.74 -4.240548018e-01 -4.240548018e-01 4.76 -4.085830457e-01 -4.085830457e-01 4.78 -3.931195957e-01 -3.931195957e-01 4.80 -3.776428275e-01 -3.776428275e-01 4.82 -3.621423606e-01 -3.621423606e-01 4.84 -3.466154432e-01 -3.466154432e-01 4.86 -3.310710344e-01 -3.310710344e-01 4.88 -3.155295201e-01 -3.155295201e-01 4.90 -3.000228541e-01 -3.000228541e-01 4.92 -2.845941575e-01 -2.845941575e-01 4.94 -2.692966911e-01 -2.692966911e-01 4.96 -2.541921689e-01 -2.541921689e-01 4.98 -2.393484488e-01 -2.393484488e-01 5.00 -2.248367176e-01 -2.248367176e-01 5.02 -2.107283573e-01 -2.107283573e-01 5.04 -1.970917342e-01 -1.970917342e-01 5.06 -1.839891714e-01 -1.839891714e-01 5.08 -1.714743528e-01 -1.714743528e-01 5.10 -1.595903534e-01 -1.595903534e-01 5.12 -1.483684188e-01 -1.483684188e-01 5.14 -1.378275250e-01 -1.378275250e-01 5.16 -1.279746696e-01 -1.279746696e-01 5.18 -1.188057763e-01 -1.188057763e-01 5.20 -1.103070546e-01 -1.103070546e-01 5.22 -1.024566371e-01 -1.024566371e-01 5.24 -9.522632500e-02 -9.522632500e-02 5.26 -8.858331437e-02 -8.858331437e-02 5.28 -8.249178432e-02 -8.249178432e-02 5.30 -7.691427253e-02 -7.691427253e-02 5.32 -7.181281441e-02 -7.181281441e-02 5.34 -6.714984393e-02 -6.714984393e-02 5.36 -6.288885826e-02 -6.288885826e-02 5.38 -5.899433994e-02 -5.899433994e-02 5.40 -5.543329563e-02 -5.543329563e-02 5.42 -5.217508450e-02 -5.217508450e-02 5.44 -4.919094116e-02 -4.919094116e-02 5.46 -4.645383049e-02 -4.645383049e-02 5.48 -4.393920978e-02 -4.393920978e-02 5.50 -4.162456611e-02 -4.162456611e-02 5.52 -3.948922647e-02 -3.948922647e-02 5.54 -3.751430110e-02 -3.751430110e-02 5.56 -3.568260208e-02 -3.568260208e-02 5.58 -3.397854662e-02 -3.397854662e-02 5.60 -3.238805219e-02 -3.238805219e-02 5.62 -3.089842799e-02 -3.089842799e-02 5.64 -2.949826552e-02 -2.949826552e-02 5.66 -2.817733385e-02 -2.817733385e-02 5.68 -2.692647922e-02 -2.692647922e-02 5.70 -2.573753125e-02 -2.573753125e-02 5.72 -2.460321689e-02 -2.460321689e-02 5.74 -2.351708293e-02 -2.351708293e-02 5.76 -2.247342740e-02 -2.247342740e-02 5.78 -2.146724003e-02 -2.146724003e-02 5.80 -2.049415135e-02 -2.049415135e-02 5.82 -1.955039011e-02 -1.955039011e-02 5.84 -1.863274790e-02 -1.863274790e-02 5.86 -1.773855005e-02 -1.773855005e-02 5.88 -1.686563130e-02 -1.686563130e-02 5.90 -1.601231457e-02 -1.601231457e-02 5.92 -1.517739099e-02 -1.517739099e-02 5.94 -1.436008206e-02 -1.436008206e-02 5.96 -1.355995431e-02 -1.355995431e-02 5.98 -1.277707517e-02 -1.277707517e-02 6.00 -1.201189262e-02 -1.201189262e-02