# 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 = Au2NiPb # 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 3.292837524e+02 3.292837524e+02 1.30 3.061681196e+02 3.061681196e+02 1.32 2.847142531e+02 2.847142531e+02 1.34 2.647936961e+02 2.647936961e+02 1.36 2.462882183e+02 2.462882183e+02 1.38 2.290881861e+02 2.290881861e+02 1.40 2.130924753e+02 2.130924753e+02 1.42 1.982084563e+02 1.982084563e+02 1.44 1.843516730e+02 1.843516730e+02 1.46 1.714453180e+02 1.714453180e+02 1.48 1.594195054e+02 1.594195054e+02 1.50 1.482104011e+02 1.482104011e+02 1.52 1.377592775e+02 1.377592775e+02 1.54 1.280115145e+02 1.280115145e+02 1.56 1.189158256e+02 1.189158256e+02 1.58 1.104239311e+02 1.104239311e+02 1.60 1.024906840e+02 1.024906840e+02 1.62 9.507437794e+01 9.507437794e+01 1.64 8.813694393e+01 8.813694393e+01 1.66 8.164385270e+01 8.164385270e+01 1.68 7.556378243e+01 7.556378243e+01 1.70 6.986825084e+01 6.986825084e+01 1.72 6.453770410e+01 6.453770410e+01 1.74 5.956883814e+01 5.956883814e+01 1.76 5.494437371e+01 5.494437371e+01 1.78 5.064447569e+01 5.064447569e+01 1.80 4.664749076e+01 4.664749076e+01 1.82 4.293285134e+01 4.293285134e+01 1.84 3.948093344e+01 3.948093344e+01 1.86 3.627312431e+01 3.627312431e+01 1.88 3.329199638e+01 3.329199638e+01 1.90 3.052142114e+01 3.052142114e+01 1.92 2.794657226e+01 2.794657226e+01 1.94 2.555380682e+01 2.555380682e+01 1.96 2.333050938e+01 2.333050938e+01 1.98 2.126494172e+01 2.126494172e+01 2.00 1.934614257e+01 1.934614257e+01 2.02 1.756388022e+01 1.756388022e+01 2.04 1.590862994e+01 1.590862994e+01 2.06 1.437155161e+01 1.437155161e+01 2.08 1.294445547e+01 1.294445547e+01 2.10 1.161976630e+01 1.161976630e+01 2.12 1.039048133e+01 1.039048133e+01 2.14 9.250132385e+00 9.250132385e+00 2.16 8.192742523e+00 8.192742523e+00 2.18 7.212779783e+00 7.212779783e+00 2.20 6.305108325e+00 6.305108325e+00 2.22 5.464946658e+00 5.464946658e+00 2.24 4.687832514e+00 4.687832514e+00 2.26 3.969595519e+00 3.969595519e+00 2.28 3.306331311e+00 3.306331311e+00 2.30 2.694382719e+00 2.694382719e+00 2.32 2.130315823e+00 2.130315823e+00 2.34 1.610899264e+00 1.610899264e+00 2.36 1.133087877e+00 1.133087877e+00 2.38 6.940120731e-01 6.940120731e-01 2.40 2.909745367e-01 2.909745367e-01 2.42 -7.854864940e-02 -7.854864940e-02 2.44 -4.169082340e-01 -4.169082340e-01 2.46 -7.262862677e-01 -7.262862677e-01 2.48 -1.008706455e+00 -1.008706455e+00 2.50 -1.266048247e+00 -1.266048247e+00 2.52 -1.500062222e+00 -1.500062222e+00 2.54 -1.712384800e+00 -1.712384800e+00 2.56 -1.904551207e+00 -1.904551207e+00 2.58 -2.078005941e+00 -2.078005941e+00 2.60 -2.234110661e+00 -2.234110661e+00 2.62 -2.374145107e+00 -2.374145107e+00 2.64 -2.499311606e+00 -2.499311606e+00 2.66 -2.610733662e+00 -2.610733662e+00 2.68 -2.709460640e+00 -2.709460640e+00 2.70 -2.796600154e+00 -2.796600154e+00 2.72 -2.872998707e+00 -2.872998707e+00 2.74 -2.939349896e+00 -2.939349896e+00 2.76 -2.996237488e+00 -2.996237488e+00 2.78 -3.044151875e+00 -3.044151875e+00 2.80 -3.083584550e+00 -3.083584550e+00 2.82 -3.115021047e+00 -3.115021047e+00 2.84 -3.138933279e+00 -3.138933279e+00 2.86 -3.155771661e+00 -3.155771661e+00 2.88 -3.165954731e+00 -3.165954731e+00 2.90 -3.169882296e+00 -3.169882296e+00 2.92 -3.167941710e+00 -3.167941710e+00 2.94 -3.160511362e+00 -3.160511362e+00 2.96 -3.147964651e+00 -3.147964651e+00 2.98 -3.130673958e+00 -3.130673958e+00 3.00 -3.109013956e+00 -3.109013956e+00 3.02 -3.083363461e+00 -3.083363461e+00 3.04 -3.054104445e+00 -3.054104445e+00 3.06 -3.021621207e+00 -3.021621207e+00 3.08 -2.986290980e+00 -2.986290980e+00 3.10 -2.948479349e+00 -2.948479349e+00 3.12 -2.908531692e+00 -2.908531692e+00 3.14 -2.866769844e+00 -2.866769844e+00 3.16 -2.823484770e+00 -2.823484770e+00 3.18 -2.778968107e+00 -2.778968107e+00 3.20 -2.733446002e+00 -2.733446002e+00 3.22 -2.687088855e+00 -2.687088855e+00 3.24 -2.640049811e+00 -2.640049811e+00 3.26 -2.592465558e+00 -2.592465558e+00 3.28 -2.544457371e+00 -2.544457371e+00 3.30 -2.496132490e+00 -2.496132490e+00 3.32 -2.447585790e+00 -2.447585790e+00 3.34 -2.398899757e+00 -2.398899757e+00 3.36 -2.350139775e+00 -2.350139775e+00 3.38 -2.301363448e+00 -2.301363448e+00 3.40 -2.252625010e+00 -2.252625010e+00 3.42 -2.203976344e+00 -2.203976344e+00 3.44 -2.155466217e+00 -2.155466217e+00 3.46 -2.107140911e+00 -2.107140911e+00 3.48 -2.059043917e+00 -2.059043917e+00 3.50 -2.011215784e+00 -2.011215784e+00 3.52 -1.963694068e+00 -1.963694068e+00 3.54 -1.916513387e+00 -1.916513387e+00 3.56 -1.869705627e+00 -1.869705627e+00 3.58 -1.823300264e+00 -1.823300264e+00 3.60 -1.777324784e+00 -1.777324784e+00 3.62 -1.731805144e+00 -1.731805144e+00 3.64 -1.686766260e+00 -1.686766260e+00 3.66 -1.642232454e+00 -1.642232454e+00 3.68 -1.598227862e+00 -1.598227862e+00 3.70 -1.554776760e+00 -1.554776760e+00 3.72 -1.511903817e+00 -1.511903817e+00 3.74 -1.469634266e+00 -1.469634266e+00 3.76 -1.427994012e+00 -1.427994012e+00 3.78 -1.387009684e+00 -1.387009684e+00 3.80 -1.346708635e+00 -1.346708635e+00 3.82 -1.307118827e+00 -1.307118827e+00 3.84 -1.268268546e+00 -1.268268546e+00 3.86 -1.230185842e+00 -1.230185842e+00 3.88 -1.192897624e+00 -1.192897624e+00 3.90 -1.156428428e+00 -1.156428428e+00 3.92 -1.120798584e+00 -1.120798584e+00 3.94 -1.086024176e+00 -1.086024176e+00 3.96 -1.052113410e+00 -1.052113410e+00 3.98 -1.019067363e+00 -1.019067363e+00 4.00 -9.868792515e-01 -9.868792515e-01 4.02 -9.555347400e-01 -9.555347400e-01 4.04 -9.250128046e-01 -9.250128046e-01 4.06 -8.952869951e-01 -8.952869951e-01 4.08 -8.663269352e-01 -8.663269352e-01 4.10 -8.380988673e-01 -8.380988673e-01 4.12 -8.105715330e-01 -8.105715330e-01 4.14 -7.837107776e-01 -7.837107776e-01 4.16 -7.574856077e-01 -7.574856077e-01 4.18 -7.318680076e-01 -7.318680076e-01 4.20 -7.068338243e-01 -7.068338243e-01 4.22 -6.823634331e-01 -6.823634331e-01 4.24 -6.584421648e-01 -6.584421648e-01 4.26 -6.350604682e-01 -6.350604682e-01 4.28 -6.122137989e-01 -6.122137989e-01 4.30 -5.899022361e-01 -5.899022361e-01 4.32 -5.681298617e-01 -5.681298617e-01 4.34 -5.469039560e-01 -5.469039560e-01 4.36 -5.262340838e-01 -5.262340838e-01 4.38 -5.061311476e-01 -5.061311476e-01 4.40 -4.866064684e-01 -4.866064684e-01 4.42 -4.676709273e-01 -4.676709273e-01 4.44 -4.493341742e-01 -4.493341742e-01 4.46 -4.316038869e-01 -4.316038869e-01 4.48 -4.144850630e-01 -4.144850630e-01 4.50 -3.979793446e-01 -3.979793446e-01 4.52 -3.820844000e-01 -3.820844000e-01 4.54 -3.667934169e-01 -3.667934169e-01 4.56 -3.520947748e-01 -3.520947748e-01 4.58 -3.379719589e-01 -3.379719589e-01 4.60 -3.244037545e-01 -3.244037545e-01 4.62 -3.113647257e-01 -3.113647257e-01 4.64 -2.988259443e-01 -2.988259443e-01 4.66 -2.867559087e-01 -2.867559087e-01 4.68 -2.751215773e-01 -2.751215773e-01 4.70 -2.638894398e-01 -2.638894398e-01 4.72 -2.530265651e-01 -2.530265651e-01 4.74 -2.425015752e-01 -2.425015752e-01 4.76 -2.322855166e-01 -2.322855166e-01 4.78 -2.223526120e-01 -2.223526120e-01 4.80 -2.126801210e-01 -2.126801210e-01 4.82 -2.032519844e-01 -2.032519844e-01 4.84 -1.940542247e-01 -1.940542247e-01 4.86 -1.850785656e-01 -1.850785656e-01 4.88 -1.763215323e-01 -1.763215323e-01 4.90 -1.677842606e-01 -1.677842606e-01 4.92 -1.594721000e-01 -1.594721000e-01 4.94 -1.513940088e-01 -1.513940088e-01 4.96 -1.435617562e-01 -1.435617562e-01 4.98 -1.359889640e-01 -1.359889640e-01 5.00 -1.286900465e-01 -1.286900465e-01 5.02 -1.216791171e-01 -1.216791171e-01 5.04 -1.149689440e-01 -1.149689440e-01 5.06 -1.085700338e-01 -1.085700338e-01 5.08 -1.024899189e-01 -1.024899189e-01 5.10 -9.673268641e-02 -9.673268641e-02 5.12 -9.129876922e-02 -9.129876922e-02 5.14 -8.618498725e-02 -8.618498725e-02 5.16 -8.138481235e-02 -8.138481235e-02 5.18 -7.688880047e-02 -7.688880047e-02 5.20 -7.268508398e-02 -7.268508398e-02 5.22 -6.875946191e-02 -6.875946191e-02 5.24 -6.509735779e-02 -6.509735779e-02 5.26 -6.168361009e-02 -6.168361009e-02 5.28 -5.850264362e-02 -5.850264362e-02 5.30 -5.553888982e-02 -5.553888982e-02 5.32 -5.277709626e-02 -5.277709626e-02 5.34 -5.020253734e-02 -5.020253734e-02 5.36 -4.780107851e-02 -4.780107851e-02 5.38 -4.555927225e-02 -4.555927225e-02 5.40 -4.346461300e-02 -4.346461300e-02 5.42 -4.150530389e-02 -4.150530389e-02 5.44 -3.967023736e-02 -3.967023736e-02 5.46 -3.794897736e-02 -3.794897736e-02 5.48 -3.633173834e-02 -3.633173834e-02 5.50 -3.480936388e-02 -3.480936388e-02 5.52 -3.337330614e-02 -3.337330614e-02 5.54 -3.201560591e-02 -3.201560591e-02 5.56 -3.072887280e-02 -3.072887280e-02 5.58 -2.950626465e-02 -2.950626465e-02 5.60 -2.834146596e-02 -2.834146596e-02 5.62 -2.722866504e-02 -2.722866504e-02 5.64 -2.616252995e-02 -2.616252995e-02 5.66 -2.513818424e-02 -2.513818424e-02 5.68 -2.415118290e-02 -2.415118290e-02 5.70 -2.319748917e-02 -2.319748917e-02 5.72 -2.227345326e-02 -2.227345326e-02 5.74 -2.137579354e-02 -2.137579354e-02 5.76 -2.050158063e-02 -2.050158063e-02 5.78 -1.964822494e-02 -1.964822494e-02 5.80 -1.881346760e-02 -1.881346760e-02 5.82 -1.799537475e-02 -1.799537475e-02 5.84 -1.719233462e-02 -1.719233462e-02 5.86 -1.640305694e-02 -1.640305694e-02 5.88 -1.562657353e-02 -1.562657353e-02 5.90 -1.486223887e-02 -1.486223887e-02 5.92 -1.410972938e-02 -1.410972938e-02 5.94 -1.336902486e-02 -1.336902486e-02 5.96 -1.264034703e-02 -1.264034703e-02 5.98 -1.192430233e-02 -1.192430233e-02 6.00 -1.122178645e-02 -1.122178645e-02