# 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 = Ag2CoTa # 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 2.756263021e+02 2.756263021e+02 1.30 2.549899551e+02 2.549899551e+02 1.32 2.359140524e+02 2.359140524e+02 1.34 2.182703325e+02 2.182703325e+02 1.36 2.019428642e+02 2.019428642e+02 1.38 1.868273110e+02 1.868273110e+02 1.40 1.728295926e+02 1.728295926e+02 1.42 1.598642918e+02 1.598642918e+02 1.44 1.478529024e+02 1.478529024e+02 1.46 1.367222479e+02 1.367222479e+02 1.48 1.264036050e+02 1.264036050e+02 1.50 1.168326395e+02 1.168326395e+02 1.52 1.079497082e+02 1.079497082e+02 1.54 9.970010644e+01 9.970010644e+01 1.56 9.203417004e+01 9.203417004e+01 1.58 8.490720679e+01 8.490720679e+01 1.60 7.827915973e+01 7.827915973e+01 1.62 7.211398886e+01 7.211398886e+01 1.64 6.637893005e+01 6.637893005e+01 1.66 6.104385039e+01 6.104385039e+01 1.68 5.608083639e+01 5.608083639e+01 1.70 5.146534150e+01 5.146534150e+01 1.72 4.717751570e+01 4.717751570e+01 1.74 4.319480183e+01 4.319480183e+01 1.76 3.949613994e+01 3.949613994e+01 1.78 3.606287735e+01 3.606287735e+01 1.80 3.287872724e+01 3.287872724e+01 1.82 2.992664294e+01 2.992664294e+01 1.84 2.719073716e+01 2.719073716e+01 1.86 2.465634444e+01 2.465634444e+01 1.88 2.230984131e+01 2.230984131e+01 1.90 2.013846696e+01 2.013846696e+01 1.92 1.813017362e+01 1.813017362e+01 1.94 1.627352078e+01 1.627352078e+01 1.96 1.455761593e+01 1.455761593e+01 1.98 1.297209830e+01 1.297209830e+01 2.00 1.150716010e+01 1.150716010e+01 2.02 1.015359850e+01 1.015359850e+01 2.04 8.902882400e+00 8.902882400e+00 2.06 7.747207293e+00 7.747207293e+00 2.08 6.679511892e+00 6.679511892e+00 2.10 5.693445573e+00 5.693445573e+00 2.12 4.783295208e+00 4.783295208e+00 2.14 3.943892778e+00 3.943892778e+00 2.16 3.170526021e+00 3.170526021e+00 2.18 2.458865488e+00 2.458865488e+00 2.20 1.804909080e+00 1.804909080e+00 2.22 1.204936573e+00 1.204936573e+00 2.24 6.554656670e-01 6.554656670e-01 2.26 1.532059252e-01 1.532059252e-01 2.28 -3.049868595e-01 -3.049868595e-01 2.30 -7.221493160e-01 -7.221493160e-01 2.32 -1.101234840e+00 -1.101234840e+00 2.34 -1.445053953e+00 -1.445053953e+00 2.36 -1.756313232e+00 -1.756313232e+00 2.38 -2.037894798e+00 -2.037894798e+00 2.40 -2.292484074e+00 -2.292484074e+00 2.42 -2.522515999e+00 -2.522515999e+00 2.44 -2.730161154e+00 -2.730161154e+00 2.46 -2.917277776e+00 -2.917277776e+00 2.48 -3.085156096e+00 -3.085156096e+00 2.50 -3.234908297e+00 -3.234908297e+00 2.52 -3.367656247e+00 -3.367656247e+00 2.54 -3.484518247e+00 -3.484518247e+00 2.56 -3.586603483e+00 -3.586603483e+00 2.58 -3.675010154e+00 -3.675010154e+00 2.60 -3.750830699e+00 -3.750830699e+00 2.62 -3.815157226e+00 -3.815157226e+00 2.64 -3.868953815e+00 -3.868953815e+00 2.66 -3.913109642e+00 -3.913109642e+00 2.68 -3.948430519e+00 -3.948430519e+00 2.70 -3.975628006e+00 -3.975628006e+00 2.72 -3.995321058e+00 -3.995321058e+00 2.74 -4.008047403e+00 -4.008047403e+00 2.76 -4.014277930e+00 -4.014277930e+00 2.78 -4.014396526e+00 -4.014396526e+00 2.80 -4.008722575e+00 -4.008722575e+00 2.82 -3.997563780e+00 -3.997563780e+00 2.84 -3.981221136e+00 -3.981221136e+00 2.86 -3.959989969e+00 -3.959989969e+00 2.88 -3.934159979e+00 -3.934159979e+00 2.90 -3.904015115e+00 -3.904015115e+00 2.92 -3.869833850e+00 -3.869833850e+00 2.94 -3.831890156e+00 -3.831890156e+00 2.96 -3.790455128e+00 -3.790455128e+00 2.98 -3.745835169e+00 -3.745835169e+00 3.00 -3.698462852e+00 -3.698462852e+00 3.02 -3.648470583e+00 -3.648470583e+00 3.04 -3.595970763e+00 -3.595970763e+00 3.06 -3.541101383e+00 -3.541101383e+00 3.08 -3.484015594e+00 -3.484015594e+00 3.10 -3.424871468e+00 -3.424871468e+00 3.12 -3.363823784e+00 -3.363823784e+00 3.14 -3.301019502e+00 -3.301019502e+00 3.16 -3.236600757e+00 -3.236600757e+00 3.18 -3.170716510e+00 -3.170716510e+00 3.20 -3.103517257e+00 -3.103517257e+00 3.22 -3.035159853e+00 -3.035159853e+00 3.24 -2.965814629e+00 -2.965814629e+00 3.26 -2.895670068e+00 -2.895670068e+00 3.28 -2.824934060e+00 -2.824934060e+00 3.30 -2.753831354e+00 -2.753831354e+00 3.32 -2.682597459e+00 -2.682597459e+00 3.34 -2.611469806e+00 -2.611469806e+00 3.36 -2.540677372e+00 -2.540677372e+00 3.38 -2.470430172e+00 -2.470430172e+00 3.40 -2.400909940e+00 -2.400909940e+00 3.42 -2.332263068e+00 -2.332263068e+00 3.44 -2.264596419e+00 -2.264596419e+00 3.46 -2.197976185e+00 -2.197976185e+00 3.48 -2.132429546e+00 -2.132429546e+00 3.50 -2.067948596e+00 -2.067948596e+00 3.52 -2.004495894e+00 -2.004495894e+00 3.54 -1.942010992e+00 -1.942010992e+00 3.56 -1.880417413e+00 -1.880417413e+00 3.58 -1.819629672e+00 -1.819629672e+00 3.60 -1.759560123e+00 -1.759560123e+00 3.62 -1.700125472e+00 -1.700125472e+00 3.64 -1.641252885e+00 -1.641252885e+00 3.66 -1.582885631e+00 -1.582885631e+00 3.68 -1.524988112e+00 -1.524988112e+00 3.70 -1.467550132e+00 -1.467550132e+00 3.72 -1.410590117e+00 -1.410590117e+00 3.74 -1.354156998e+00 -1.354156998e+00 3.76 -1.298330446e+00 -1.298330446e+00 3.78 -1.243219184e+00 -1.243219184e+00 3.80 -1.188957287e+00 -1.188957287e+00 3.82 -1.135698514e+00 -1.135698514e+00 3.84 -1.083608971e+00 -1.083608971e+00 3.86 -1.032858634e+00 -1.032858634e+00 3.88 -9.836124057e-01 -9.836124057e-01 3.90 -9.360214822e-01 -9.360214822e-01 3.92 -8.902157753e-01 -8.902157753e-01 3.94 -8.462979983e-01 -8.462979983e-01 3.96 -8.043398061e-01 -8.043398061e-01 3.98 -7.643801479e-01 -7.643801479e-01 4.00 -7.264257246e-01 -7.264257246e-01 4.02 -6.904532645e-01 -6.904532645e-01 4.04 -6.564131983e-01 -6.564131983e-01 4.06 -6.242342701e-01 -6.242342701e-01 4.08 -5.938286346e-01 -5.938286346e-01 4.10 -5.650970512e-01 -5.650970512e-01 4.12 -5.379338863e-01 -5.379338863e-01 4.14 -5.122316704e-01 -5.122316704e-01 4.16 -4.878851139e-01 -4.878851139e-01 4.18 -4.647944514e-01 -4.647944514e-01 4.20 -4.428680636e-01 -4.428680636e-01 4.22 -4.220243268e-01 -4.220243268e-01 4.24 -4.021926495e-01 -4.021926495e-01 4.26 -3.833136774e-01 -3.833136774e-01 4.28 -3.653386853e-01 -3.653386853e-01 4.30 -3.482282301e-01 -3.482282301e-01 4.32 -3.319502180e-01 -3.319502180e-01 4.34 -3.164776015e-01 -3.164776015e-01 4.36 -3.017859735e-01 -3.017859735e-01 4.38 -2.878513280e-01 -2.878513280e-01 4.40 -2.746482172e-01 -2.746482172e-01 4.42 -2.621484582e-01 -2.621484582e-01 4.44 -2.503204441e-01 -2.503204441e-01 4.46 -2.391290269e-01 -2.391290269e-01 4.48 -2.285358665e-01 -2.285358665e-01 4.50 -2.185001068e-01 -2.185001068e-01 4.52 -2.089792312e-01 -2.089792312e-01 4.54 -1.999299667e-01 -1.999299667e-01 4.56 -1.913091403e-01 -1.913091403e-01 4.58 -1.830744241e-01 -1.830744241e-01 4.60 -1.751849406e-01 -1.751849406e-01 4.62 -1.676017282e-01 -1.676017282e-01 4.64 -1.602880839e-01 -1.602880839e-01 4.66 -1.532098132e-01 -1.532098132e-01 4.68 -1.463354202e-01 -1.463354202e-01 4.70 -1.396362715e-01 -1.396362715e-01 4.72 -1.330867630e-01 -1.330867630e-01 4.74 -1.266645112e-01 -1.266645112e-01 4.76 -1.203505806e-01 -1.203505806e-01 4.78 -1.141297492e-01 -1.141297492e-01 4.80 -1.079907990e-01 -1.079907990e-01 4.82 -1.019268139e-01 -1.019268139e-01 4.84 -9.593543006e-02 -9.593543006e-02 4.86 -9.001901644e-02 -9.001901644e-02 4.88 -8.418471069e-02 -8.418471069e-02 4.90 -7.844426582e-02 -7.844426582e-02 4.92 -7.281366269e-02 -7.281366269e-02 4.94 -6.731246465e-02 -6.731246465e-02 4.96 -6.196282011e-02 -6.196282011e-02 4.98 -5.678828909e-02 -5.678828909e-02 5.00 -5.181315160e-02 -5.181315160e-02 5.02 -4.706068655e-02 -4.706068655e-02 5.04 -4.255188867e-02 -4.255188867e-02 5.06 -3.830438992e-02 -3.830438992e-02 5.08 -3.433163091e-02 -3.433163091e-02 5.10 -3.064234095e-02 -3.064234095e-02 5.12 -2.724033878e-02 -2.724033878e-02 5.14 -2.412463524e-02 -2.412463524e-02 5.16 -2.128979985e-02 -2.128979985e-02 5.18 -1.872652367e-02 -1.872652367e-02 5.20 -1.642217323e-02 -1.642217323e-02 5.22 -1.436159323e-02 -1.436159323e-02 5.24 -1.252835872e-02 -1.252835872e-02 5.26 -1.090495758e-02 -1.090495758e-02 5.28 -9.473406390e-03 -9.473406390e-03 5.30 -8.215787311e-03 -8.215787311e-03 5.32 -7.114673368e-03 -7.114673368e-03 5.34 -6.153446068e-03 -6.153446068e-03 5.36 -5.316515583e-03 -5.316515583e-03 5.38 -4.589457182e-03 -4.589457182e-03 5.40 -3.959078986e-03 -3.959078986e-03 5.42 -3.413435841e-03 -3.413435841e-03 5.44 -2.941802868e-03 -2.941802868e-03 5.46 -2.534620463e-03 -2.534620463e-03 5.48 -2.183420503e-03 -2.183420503e-03 5.50 -1.880741564e-03 -1.880741564e-03 5.52 -1.620039112e-03 -1.620039112e-03 5.54 -1.395595122e-03 -1.395595122e-03 5.56 -1.202430214e-03 -1.202430214e-03 5.58 -1.036220417e-03 -1.036220417e-03 5.60 -8.932198032e-04 -8.932198032e-04 5.62 -7.701896922e-04 -7.701896922e-04 5.64 -6.643346176e-04 -6.643346176e-04 5.66 -5.732449945e-04 -5.732449945e-04 5.68 -4.948461880e-04 -4.948461880e-04 5.70 -4.273535691e-04 -4.273535691e-04 5.72 -3.692330700e-04 -3.692330700e-04 5.74 -3.191667255e-04 -3.191667255e-04 5.76 -2.760226831e-04 -2.760226831e-04 5.78 -2.388291857e-04 -2.388291857e-04 5.80 -2.067520616e-04 -2.067520616e-04 5.82 -1.790752899e-04 -1.790752899e-04 5.84 -1.551842536e-04 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