# 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 = Al2CoCu # 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 9.153287319e+01 9.153287319e+01 1.30 8.460097599e+01 8.460097599e+01 1.32 7.818156766e+01 7.818156766e+01 1.34 7.223413749e+01 7.223413749e+01 1.36 6.672148482e+01 6.672148482e+01 1.38 6.161048499e+01 6.161048499e+01 1.40 5.687162142e+01 5.687162142e+01 1.42 5.247759518e+01 5.247759518e+01 1.44 4.840174294e+01 4.840174294e+01 1.46 4.461733594e+01 4.461733594e+01 1.48 4.109849543e+01 4.109849543e+01 1.50 3.782208810e+01 3.782208810e+01 1.52 3.476895904e+01 3.476895904e+01 1.54 3.192357505e+01 3.192357505e+01 1.56 2.927280382e+01 2.927280382e+01 1.58 2.680515746e+01 2.680515746e+01 1.60 2.450895720e+01 2.450895720e+01 1.62 2.237549085e+01 2.237549085e+01 1.64 2.039472378e+01 2.039472378e+01 1.66 1.855523772e+01 1.855523772e+01 1.68 1.684600304e+01 1.684600304e+01 1.70 1.525677963e+01 1.525677963e+01 1.72 1.377848394e+01 1.377848394e+01 1.74 1.240322040e+01 1.240322040e+01 1.76 1.112400725e+01 1.112400725e+01 1.78 9.934477771e+00 9.934477771e+00 1.80 8.828753917e+00 8.828753917e+00 1.82 7.801462346e+00 7.801462346e+00 1.84 6.847755097e+00 6.847755097e+00 1.86 5.963248104e+00 5.963248104e+00 1.88 5.143878146e+00 5.143878146e+00 1.90 4.385722861e+00 4.385722861e+00 1.92 3.684838405e+00 3.684838405e+00 1.94 3.037168859e+00 3.037168859e+00 1.96 2.438563697e+00 2.438563697e+00 1.98 1.884902589e+00 1.884902589e+00 2.00 1.372288378e+00 1.372288378e+00 2.02 8.972433159e-01 8.972433159e-01 2.04 4.568337234e-01 4.568337234e-01 2.06 4.867186711e-02 4.867186711e-02 2.08 -3.291967862e-01 -3.291967862e-01 2.10 -6.784596933e-01 -6.784596933e-01 2.12 -1.000687629e+00 -1.000687629e+00 2.14 -1.297429579e+00 -1.297429579e+00 2.16 -1.570246242e+00 -1.570246242e+00 2.18 -1.820696967e+00 -1.820696967e+00 2.20 -2.050302214e+00 -2.050302214e+00 2.22 -2.260502778e+00 -2.260502778e+00 2.24 -2.452630290e+00 -2.452630290e+00 2.26 -2.627894492e+00 -2.627894492e+00 2.28 -2.787385028e+00 -2.787385028e+00 2.30 -2.932081002e+00 -2.932081002e+00 2.32 -3.062861039e+00 -3.062861039e+00 2.34 -3.180508701e+00 -3.180508701e+00 2.36 -3.285714220e+00 -3.285714220e+00 2.38 -3.379078061e+00 -3.379078061e+00 2.40 -3.461123283e+00 -3.461123283e+00 2.42 -3.532324010e+00 -3.532324010e+00 2.44 -3.593165673e+00 -3.593165673e+00 2.46 -3.644090453e+00 -3.644090453e+00 2.48 -3.685573765e+00 -3.685573765e+00 2.50 -3.718159856e+00 -3.718159856e+00 2.52 -3.742471388e+00 -3.742471388e+00 2.54 -3.759213600e+00 -3.759213600e+00 2.56 -3.769174420e+00 -3.769174420e+00 2.58 -3.773320029e+00 -3.773320029e+00 2.60 -3.773146190e+00 -3.773146190e+00 2.62 -3.770292728e+00 -3.770292728e+00 2.64 -3.764841143e+00 -3.764841143e+00 2.66 -3.756864168e+00 -3.756864168e+00 2.68 -3.746459043e+00 -3.746459043e+00 2.70 -3.733701781e+00 -3.733701781e+00 2.72 -3.718625998e+00 -3.718625998e+00 2.74 -3.701227677e+00 -3.701227677e+00 2.76 -3.681485905e+00 -3.681485905e+00 2.78 -3.659361912e+00 -3.659361912e+00 2.80 -3.634815726e+00 -3.634815726e+00 2.82 -3.607795885e+00 -3.607795885e+00 2.84 -3.578246972e+00 -3.578246972e+00 2.86 -3.546118300e+00 -3.546118300e+00 2.88 -3.511371702e+00 -3.511371702e+00 2.90 -3.473989070e+00 -3.473989070e+00 2.92 -3.433980318e+00 -3.433980318e+00 2.94 -3.391392323e+00 -3.391392323e+00 2.96 -3.346318884e+00 -3.346318884e+00 2.98 -3.298910795e+00 -3.298910795e+00 3.00 -3.249383899e+00 -3.249383899e+00 3.02 -3.198022011e+00 -3.198022011e+00 3.04 -3.145171463e+00 -3.145171463e+00 3.06 -3.091225428e+00 -3.091225428e+00 3.08 -3.036598631e+00 -3.036598631e+00 3.10 -2.981696570e+00 -2.981696570e+00 3.12 -2.926885052e+00 -2.926885052e+00 3.14 -2.872466266e+00 -2.872466266e+00 3.16 -2.818665187e+00 -2.818665187e+00 3.18 -2.765627457e+00 -2.765627457e+00 3.20 -2.713426629e+00 -2.713426629e+00 3.22 -2.662077407e+00 -2.662077407e+00 3.24 -2.611551260e+00 -2.611551260e+00 3.26 -2.561791596e+00 -2.561791596e+00 3.28 -2.512726816e+00 -2.512726816e+00 3.30 -2.464280602e+00 -2.464280602e+00 3.32 -2.416379445e+00 -2.416379445e+00 3.34 -2.368957790e+00 -2.368957790e+00 3.36 -2.321961265e+00 -2.321961265e+00 3.38 -2.275348409e+00 -2.275348409e+00 3.40 -2.229091242e+00 -2.229091242e+00 3.42 -2.183174928e+00 -2.183174928e+00 3.44 -2.137596689e+00 -2.137596689e+00 3.46 -2.092364207e+00 -2.092364207e+00 3.48 -2.047493609e+00 -2.047493609e+00 3.50 -2.003007240e+00 -2.003007240e+00 3.52 -1.958931379e+00 -1.958931379e+00 3.54 -1.915294047e+00 -1.915294047e+00 3.56 -1.872123065e+00 -1.872123065e+00 3.58 -1.829444439e+00 -1.829444439e+00 3.60 -1.787281170e+00 -1.787281170e+00 3.62 -1.745652520e+00 -1.745652520e+00 3.64 -1.704573724e+00 -1.704573724e+00 3.66 -1.664056154e+00 -1.664056154e+00 3.68 -1.624107849e+00 -1.624107849e+00 3.70 -1.584734340e+00 -1.584734340e+00 3.72 -1.545939653e+00 -1.545939653e+00 3.74 -1.507727337e+00 -1.507727337e+00 3.76 -1.470101377e+00 -1.470101377e+00 3.78 -1.433066797e+00 -1.433066797e+00 3.80 -1.396629856e+00 -1.396629856e+00 3.82 -1.360797716e+00 -1.360797716e+00 3.84 -1.325577601e+00 -1.325577601e+00 3.86 -1.290975522e+00 -1.290975522e+00 3.88 -1.256994743e+00 -1.256994743e+00 3.90 -1.223634228e+00 -1.223634228e+00 3.92 -1.190887298e+00 -1.190887298e+00 3.94 -1.158740731e+00 -1.158740731e+00 3.96 -1.127174335e+00 -1.127174335e+00 3.98 -1.096161149e+00 -1.096161149e+00 4.00 -1.065668122e+00 -1.065668122e+00 4.02 -1.035657199e+00 -1.035657199e+00 4.04 -1.006086719e+00 -1.006086719e+00 4.06 -9.769130150e-01 -9.769130150e-01 4.08 -9.480921738e-01 -9.480921738e-01 4.10 -9.195819081e-01 -9.195819081e-01 4.12 -8.913436392e-01 -8.913436392e-01 4.14 -8.633445167e-01 -8.633445167e-01 4.16 -8.355596923e-01 -8.355596923e-01 4.18 -8.079744816e-01 -8.079744816e-01 4.20 -7.805863775e-01 -7.805863775e-01 4.22 -7.534066867e-01 -7.534066867e-01 4.24 -7.264615428e-01 -7.264615428e-01 4.26 -6.997920466e-01 -6.997920466e-01 4.28 -6.734533392e-01 -6.734533392e-01 4.30 -6.475125183e-01 -6.475125183e-01 4.32 -6.220454578e-01 -6.220454578e-01 4.34 -5.971327557e-01 -5.971327557e-01 4.36 -5.728551718e-01 -5.728551718e-01 4.38 -5.492889964e-01 -5.492889964e-01 4.40 -5.265017900e-01 -5.265017900e-01 4.42 -5.045488565e-01 -5.045488565e-01 4.44 -4.834706870e-01 -4.834706870e-01 4.46 -4.632914666e-01 -4.632914666e-01 4.48 -4.440186111e-01 -4.440186111e-01 4.50 -4.256432111e-01 -4.256432111e-01 4.52 -4.081412095e-01 -4.081412095e-01 4.54 -3.914751248e-01 -3.914751248e-01 4.56 -3.755961343e-01 -3.755961343e-01 4.58 -3.604463556e-01 -3.604463556e-01 4.60 -3.459611853e-01 -3.459611853e-01 4.62 -3.320715862e-01 -3.320715862e-01 4.64 -3.187062439e-01 -3.187062439e-01 4.66 -3.057935448e-01 -3.057935448e-01 4.68 -2.932633608e-01 -2.932633608e-01 4.70 -2.810486459e-01 -2.810486459e-01 4.72 -2.690868728e-01 -2.690868728e-01 4.74 -2.573213400e-01 -2.573213400e-01 4.76 -2.457023887e-01 -2.457023887e-01 4.78 -2.341885378e-01 -2.341885378e-01 4.80 -2.227475273e-01 -2.227475273e-01 4.82 -2.113573156e-01 -2.113573156e-01 4.84 -2.000067960e-01 -2.000067960e-01 4.86 -1.886963798e-01 -1.886963798e-01 4.88 -1.774381800e-01 -1.774381800e-01 4.90 -1.662557563e-01 -1.662557563e-01 4.92 -1.551833204e-01 -1.551833204e-01 4.94 -1.442643534e-01 -1.442643534e-01 4.96 -1.335496441e-01 -1.335496441e-01 4.98 -1.230946761e-01 -1.230946761e-01 5.00 -1.129568636e-01 -1.129568636e-01 5.02 -1.031931282e-01 -1.031931282e-01 5.04 -9.385650740e-02 -9.385650740e-02 5.06 -8.499356986e-02 -8.499356986e-02 5.08 -7.664236838e-02 -7.664236838e-02 5.10 -6.883104266e-02 -6.883104266e-02 5.12 -6.157712864e-02 -6.157712864e-02 5.14 -5.488755376e-02 -5.488755376e-02 5.16 -4.875923196e-02 -4.875923196e-02 5.18 -4.318012737e-02 -4.318012737e-02 5.20 -3.813063442e-02 -3.813063442e-02 5.22 -3.358512267e-02 -3.358512267e-02 5.24 -2.951351174e-02 -2.951351174e-02 5.26 -2.588276960e-02 -2.588276960e-02 5.28 -2.265825907e-02 -2.265825907e-02 5.30 -1.980488505e-02 -1.980488505e-02 5.32 -1.728802920e-02 -1.728802920e-02 5.34 -1.507426999e-02 -1.507426999e-02 5.36 -1.313190121e-02 -1.313190121e-02 5.38 -1.143101249e-02 -1.143101249e-02 5.40 -9.944287055e-03 -9.944287055e-03 5.42 -8.646917776e-03 -8.646917776e-03 5.44 -7.516347076e-03 -7.516347076e-03 5.46 -6.532241164e-03 -6.532241164e-03 5.48 -5.676403077e-03 -5.676403077e-03 5.50 -4.932646119e-03 -4.932646119e-03 5.52 -4.286644225e-03 -4.286644225e-03 5.54 -3.725771471e-03 -3.725771471e-03 5.56 -3.238939518e-03 -3.238939518e-03 5.58 -2.816439031e-03 -2.816439031e-03 5.60 -2.449789041e-03 -2.449789041e-03 5.62 -2.131596613e-03 -2.131596613e-03 5.64 -1.855428076e-03 -1.855428076e-03 5.66 -1.615692239e-03 -1.615692239e-03 5.68 -1.407535456e-03 -1.407535456e-03 5.70 -1.226748055e-03 -1.226748055e-03 5.72 -1.069681405e-03 -1.069681405e-03 5.74 -9.331747794e-04 -9.331747794e-04 5.76 -8.144911342e-04 -8.144911342e-04 5.78 -7.112608938e-04 -7.112608938e-04 5.80 -6.214328952e-04 -6.214328952e-04 5.82 -5.432316730e-04 -5.432316730e-04 5.84 -4.751203396e-04 -4.751203396e-04 5.86 -4.157683753e-04 -4.157683753e-04 5.88 -3.640237173e-04 -3.640237173e-04 5.90 -3.188885959e-04 -3.188885959e-04 5.92 -2.794986335e-04 -2.794986335e-04 5.94 -2.451047758e-04 -2.451047758e-04 5.96 -2.150576791e-04 -2.150576791e-04 5.98 -1.887942242e-04 -1.887942242e-04 6.00 -1.658258701e-04 -1.658258701e-04