# 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 = AgAu2Co # 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 2.845521701e+02 2.845521701e+02 1.30 2.633214030e+02 2.633214030e+02 1.32 2.436820868e+02 2.436820868e+02 1.34 2.255054402e+02 2.255054402e+02 1.36 2.086739478e+02 2.086739478e+02 1.38 1.930800152e+02 1.930800152e+02 1.40 1.786252675e+02 1.786252675e+02 1.42 1.652200917e+02 1.652200917e+02 1.44 1.527832414e+02 1.527832414e+02 1.46 1.412412334e+02 1.412412334e+02 1.48 1.305271996e+02 1.305271996e+02 1.50 1.205794651e+02 1.205794651e+02 1.52 1.113405648e+02 1.113405648e+02 1.54 1.027569182e+02 1.027569182e+02 1.56 9.477877377e+01 9.477877377e+01 1.58 8.736010879e+01 8.736010879e+01 1.60 8.045848152e+01 8.045848152e+01 1.62 7.403491163e+01 7.403491163e+01 1.64 6.805376418e+01 6.805376418e+01 1.66 6.248254789e+01 6.248254789e+01 1.68 5.729157539e+01 5.729157539e+01 1.70 5.246495747e+01 5.246495747e+01 1.72 4.799487065e+01 4.799487065e+01 1.74 4.385681595e+01 4.385681595e+01 1.76 4.002715656e+01 4.002715656e+01 1.78 3.648319649e+01 3.648319649e+01 1.80 3.320398254e+01 3.320398254e+01 1.82 3.017012341e+01 3.017012341e+01 1.84 2.736367330e+01 2.736367330e+01 1.86 2.476807423e+01 2.476807423e+01 1.88 2.236811071e+01 2.236811071e+01 1.90 2.014983242e+01 2.014983242e+01 1.92 1.810043013e+01 1.810043013e+01 1.94 1.620807768e+01 1.620807768e+01 1.96 1.446176801e+01 1.446176801e+01 1.98 1.285117247e+01 1.285117247e+01 2.00 1.136654634e+01 1.136654634e+01 2.02 9.998690502e+00 9.998690502e+00 2.04 8.738958203e+00 8.738958203e+00 2.06 7.579278122e+00 7.579278122e+00 2.08 6.512164944e+00 6.512164944e+00 2.10 5.530705140e+00 5.530705140e+00 2.12 4.628522723e+00 4.628522723e+00 2.14 3.799736310e+00 3.799736310e+00 2.16 3.038917238e+00 3.038917238e+00 2.18 2.341053979e+00 2.341053979e+00 2.20 1.701523492e+00 1.701523492e+00 2.22 1.116066905e+00 1.116066905e+00 2.24 5.807660436e-01 5.807660436e-01 2.26 9.201858092e-02 9.201858092e-02 2.28 -3.534885576e-01 -3.534885576e-01 2.30 -7.588066209e-01 -7.588066209e-01 2.32 -1.126751973e+00 -1.126751973e+00 2.34 -1.459931405e+00 -1.459931405e+00 2.36 -1.760765201e+00 -1.760765201e+00 2.38 -2.031507811e+00 -2.031507811e+00 2.40 -2.274266354e+00 -2.274266354e+00 2.42 -2.491017323e+00 -2.491017323e+00 2.44 -2.683621797e+00 -2.683621797e+00 2.46 -2.853839117e+00 -2.853839117e+00 2.48 -3.003338713e+00 -3.003338713e+00 2.50 -3.133709911e+00 -3.133709911e+00 2.52 -3.246470285e+00 -3.246470285e+00 2.54 -3.343081542e+00 -3.343081542e+00 2.56 -3.424985635e+00 -3.424985635e+00 2.58 -3.493487180e+00 -3.493487180e+00 2.60 -3.549833759e+00 -3.549833759e+00 2.62 -3.595263532e+00 -3.595263532e+00 2.64 -3.631040120e+00 -3.631040120e+00 2.66 -3.658011616e+00 -3.658011616e+00 2.68 -3.676917469e+00 -3.676917469e+00 2.70 -3.688410153e+00 -3.688410153e+00 2.72 -3.693005443e+00 -3.693005443e+00 2.74 -3.691141535e+00 -3.691141535e+00 2.76 -3.683218069e+00 -3.683218069e+00 2.78 -3.669601973e+00 -3.669601973e+00 2.80 -3.650627180e+00 -3.650627180e+00 2.82 -3.626615592e+00 -3.626615592e+00 2.84 -3.597883489e+00 -3.597883489e+00 2.86 -3.564823081e+00 -3.564823081e+00 2.88 -3.527734154e+00 -3.527734154e+00 2.90 -3.486816840e+00 -3.486816840e+00 2.92 -3.442292612e+00 -3.442292612e+00 2.94 -3.394404011e+00 -3.394404011e+00 2.96 -3.343416511e+00 -3.343416511e+00 2.98 -3.289621411e+00 -3.289621411e+00 3.00 -3.233338045e+00 -3.233338045e+00 3.02 -3.174915797e+00 -3.174915797e+00 3.04 -3.114732950e+00 -3.114732950e+00 3.06 -3.053178211e+00 -3.053178211e+00 3.08 -2.990634031e+00 -2.990634031e+00 3.10 -2.927459422e+00 -2.927459422e+00 3.12 -2.863974365e+00 -2.863974365e+00 3.14 -2.800449025e+00 -2.800449025e+00 3.16 -2.737099490e+00 -2.737099490e+00 3.18 -2.674089899e+00 -2.674089899e+00 3.20 -2.611539347e+00 -2.611539347e+00 3.22 -2.549531340e+00 -2.549531340e+00 3.24 -2.488123716e+00 -2.488123716e+00 3.26 -2.427357547e+00 -2.427357547e+00 3.28 -2.367264261e+00 -2.367264261e+00 3.30 -2.307870776e+00 -2.307870776e+00 3.32 -2.249202844e+00 -2.249202844e+00 3.34 -2.191286935e+00 -2.191286935e+00 3.36 -2.134151055e+00 -2.134151055e+00 3.38 -2.077824814e+00 -2.077824814e+00 3.40 -2.022339026e+00 -2.022339026e+00 3.42 -1.967725021e+00 -1.967725021e+00 3.44 -1.914013808e+00 -1.914013808e+00 3.46 -1.861235197e+00 -1.861235197e+00 3.48 -1.809416941e+00 -1.809416941e+00 3.50 -1.758583956e+00 -1.758583956e+00 3.52 -1.708757651e+00 -1.708757651e+00 3.54 -1.659955396e+00 -1.659955396e+00 3.56 -1.612190135e+00 -1.612190135e+00 3.58 -1.565470154e+00 -1.565470154e+00 3.60 -1.519799001e+00 -1.519799001e+00 3.62 -1.475175546e+00 -1.475175546e+00 3.64 -1.431594186e+00 -1.431594186e+00 3.66 -1.389045171e+00 -1.389045171e+00 3.68 -1.347515033e+00 -1.347515033e+00 3.70 -1.306987109e+00 -1.306987109e+00 3.72 -1.267442114e+00 -1.267442114e+00 3.74 -1.228858740e+00 -1.228858740e+00 3.76 -1.191214250e+00 -1.191214250e+00 3.78 -1.154485026e+00 -1.154485026e+00 3.80 -1.118647063e+00 -1.118647063e+00 3.82 -1.083676357e+00 -1.083676357e+00 3.84 -1.049549217e+00 -1.049549217e+00 3.86 -1.016242453e+00 -1.016242453e+00 3.88 -9.837334788e-01 -9.837334788e-01 3.90 -9.520003193e-01 -9.520003193e-01 3.92 -9.210215406e-01 -9.210215406e-01 3.94 -8.907761335e-01 -8.907761335e-01 3.96 -8.612433604e-01 -8.612433604e-01 3.98 -8.324026165e-01 -8.324026165e-01 4.00 -8.042333251e-01 -8.042333251e-01 4.02 -7.767149089e-01 -7.767149089e-01 4.04 -7.498268688e-01 -7.498268688e-01 4.06 -7.235490007e-01 -7.235490007e-01 4.08 -6.978617703e-01 -6.978617703e-01 4.10 -6.727468549e-01 -6.727468549e-01 4.12 -6.481878595e-01 -6.481878595e-01 4.14 -6.241711382e-01 -6.241711382e-01 4.16 -6.006867240e-01 -6.006867240e-01 4.18 -5.777292368e-01 -5.777292368e-01 4.20 -5.552986731e-01 -5.552986731e-01 4.22 -5.334009378e-01 -5.334009378e-01 4.24 -5.120479745e-01 -5.120479745e-01 4.26 -4.912573677e-01 -4.912573677e-01 4.28 -4.710513429e-01 -4.710513429e-01 4.30 -4.514551670e-01 -4.514551670e-01 4.32 -4.324950520e-01 -4.324950520e-01 4.34 -4.141957580e-01 -4.141957580e-01 4.36 -3.965781606e-01 -3.965781606e-01 4.38 -3.796570685e-01 -3.796570685e-01 4.40 -3.634395396e-01 -3.634395396e-01 4.42 -3.479238661e-01 -3.479238661e-01 4.44 -3.330992855e-01 -3.330992855e-01 4.46 -3.189463731e-01 -3.189463731e-01 4.48 -3.054379856e-01 -3.054379856e-01 4.50 -2.925405788e-01 -2.925405788e-01 4.52 -2.802157154e-01 -2.802157154e-01 4.54 -2.684215977e-01 -2.684215977e-01 4.56 -2.571145014e-01 -2.571145014e-01 4.58 -2.462500333e-01 -2.462500333e-01 4.60 -2.357841787e-01 -2.357841787e-01 4.62 -2.256741400e-01 -2.256741400e-01 4.64 -2.158789923e-01 -2.158789923e-01 4.66 -2.063601972e-01 -2.063601972e-01 4.68 -1.970820204e-01 -1.970820204e-01 4.70 -1.880118975e-01 -1.880118975e-01 4.72 -1.791207848e-01 -1.791207848e-01 4.74 -1.703835255e-01 -1.703835255e-01 4.76 -1.617792423e-01 -1.617792423e-01 4.78 -1.532917592e-01 -1.532917592e-01 4.80 -1.449100319e-01 -1.449100319e-01 4.82 -1.366285637e-01 -1.366285637e-01 4.84 -1.284477317e-01 -1.284477317e-01 4.86 -1.203739965e-01 -1.203739965e-01 4.88 -1.124198992e-01 -1.124198992e-01 4.90 -1.046037933e-01 -1.046037933e-01 4.92 -9.694925800e-02 -9.694925800e-02 4.94 -8.948417174e-02 -8.948417174e-02 4.96 -8.223946024e-02 -8.223946024e-02 4.98 -7.524757772e-02 -7.524757772e-02 5.00 -6.854082125e-02 -6.854082125e-02 5.02 -6.214960880e-02 -6.214960880e-02 5.04 -5.610086514e-02 -5.610086514e-02 5.06 -5.041664964e-02 -5.041664964e-02 5.08 -4.511313826e-02 -4.511313826e-02 5.10 -4.020002260e-02 -4.020002260e-02 5.12 -3.568034023e-02 -3.568034023e-02 5.14 -3.155066779e-02 -3.155066779e-02 5.16 -2.780141895e-02 -2.780141895e-02 5.18 -2.441850831e-02 -2.441850831e-02 5.20 -2.138380392e-02 -2.138380392e-02 5.22 -1.867570715e-02 -1.867570715e-02 5.24 -1.627104002e-02 -1.627104002e-02 5.26 -1.414554370e-02 -1.414554370e-02 5.28 -1.227451933e-02 -1.227451933e-02 5.30 -1.063353965e-02 -1.063353965e-02 5.32 -9.198999943e-03 -9.198999943e-03 5.34 -7.948518747e-03 -7.948518747e-03 5.36 -6.861205960e-03 -6.861205960e-03 5.38 -5.917819360e-03 -5.917819360e-03 5.40 -5.100831532e-03 -5.100831532e-03 5.42 -4.394427919e-03 -4.394427919e-03 5.44 -3.784454496e-03 -3.784454496e-03 5.46 -3.258330722e-03 -3.258330722e-03 5.48 -2.804940554e-03 -2.804940554e-03 5.50 -2.414511487e-03 -2.414511487e-03 5.52 -2.078489171e-03 -2.078489171e-03 5.54 -1.789413074e-03 -1.789413074e-03 5.56 -1.540796934e-03 -1.540796934e-03 5.58 -1.327016451e-03 -1.327016451e-03 5.60 -1.143205620e-03 -1.143205620e-03 5.62 -9.851623665e-04 -9.851623665e-04 5.64 -8.492636048e-04 -8.492636048e-04 5.66 -7.323894624e-04 -7.323894624e-04 5.68 -6.318561893e-04 -6.318561893e-04 5.70 -5.453571186e-04 -5.453571186e-04 5.72 -4.709109760e-04 -4.709109760e-04 5.74 -4.068168174e-04 -4.068168174e-04 5.76 -3.516148829e-04 -3.516148829e-04 5.78 -3.040526907e-04 -3.040526907e-04 5.80 -2.630557433e-04 -2.630557433e-04 5.82 -2.277022683e-04 -2.277022683e-04 5.84 -1.972014770e-04 -1.972014770e-04 5.86 -1.708748746e-04 -1.708748746e-04 5.88 -1.481402137e-04 -1.481402137e-04 5.90 -1.284977281e-04 -1.284977281e-04 5.92 -1.115183323e-04 -1.115183323e-04 5.94 -9.683351071e-05 -9.683351071e-05 5.96 -8.412665826e-05 -8.412665826e-05 5.98 -7.312566651e-05 -7.312566651e-05 6.00 -6.359657643e-05 -6.359657643e-05