# 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 = AgTa2W # 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 4.108860786e+02 4.108860786e+02 1.30 3.806983093e+02 3.806983093e+02 1.32 3.527713890e+02 3.527713890e+02 1.34 3.269212921e+02 3.269212921e+02 1.36 3.029807078e+02 3.029807078e+02 1.38 2.807969860e+02 2.807969860e+02 1.40 2.602307278e+02 2.602307278e+02 1.42 2.411548945e+02 2.411548945e+02 1.44 2.234537079e+02 2.234537079e+02 1.46 2.070210693e+02 2.070210693e+02 1.48 1.917589091e+02 1.917589091e+02 1.50 1.775760302e+02 1.775760302e+02 1.52 1.643877296e+02 1.643877296e+02 1.54 1.521161426e+02 1.521161426e+02 1.56 1.406909115e+02 1.406909115e+02 1.58 1.300495564e+02 1.300495564e+02 1.60 1.201370608e+02 1.201370608e+02 1.62 1.109046726e+02 1.109046726e+02 1.64 1.023083620e+02 1.023083620e+02 1.66 9.430744351e+01 9.430744351e+01 1.68 8.686364315e+01 8.686364315e+01 1.70 7.994061089e+01 7.994061089e+01 1.72 7.350372214e+01 7.350372214e+01 1.74 6.752000546e+01 6.752000546e+01 1.76 6.195811712e+01 6.195811712e+01 1.78 5.678836350e+01 5.678836350e+01 1.80 5.198279143e+01 5.198279143e+01 1.82 4.751532678e+01 4.751532678e+01 1.84 4.336189374e+01 4.336189374e+01 1.86 3.950043671e+01 3.950043671e+01 1.88 3.591080025e+01 3.591080025e+01 1.90 3.257447591e+01 3.257447591e+01 1.92 2.947622926e+01 2.947622926e+01 1.94 2.660762810e+01 2.660762810e+01 1.96 2.395332395e+01 2.395332395e+01 1.98 2.149774157e+01 2.149774157e+01 2.00 1.922679567e+01 1.922679567e+01 2.02 1.712602151e+01 1.712602151e+01 2.04 1.518176521e+01 1.518176521e+01 2.06 1.338144621e+01 1.338144621e+01 2.08 1.171364341e+01 1.171364341e+01 2.10 1.016808851e+01 1.016808851e+01 2.12 8.735585419e+00 8.735585419e+00 2.14 7.407896776e+00 7.407896776e+00 2.16 6.177632447e+00 6.177632447e+00 2.18 5.038152754e+00 5.038152754e+00 2.20 3.983480462e+00 3.983480462e+00 2.22 3.008209520e+00 3.008209520e+00 2.24 2.107403900e+00 2.107403900e+00 2.26 1.276489396e+00 1.276489396e+00 2.28 5.111488862e-01 5.111488862e-01 2.30 -1.927655331e-01 -1.927655331e-01 2.32 -8.392916903e-01 -8.392916903e-01 2.34 -1.432380847e+00 -1.432380847e+00 2.36 -1.975885795e+00 -1.975885795e+00 2.38 -2.473521470e+00 -2.473521470e+00 2.40 -2.928812153e+00 -2.928812153e+00 2.42 -3.345041367e+00 -3.345041367e+00 2.44 -3.725217742e+00 -3.725217742e+00 2.46 -4.072063476e+00 -4.072063476e+00 2.48 -4.388024636e+00 -4.388024636e+00 2.50 -4.675297299e+00 -4.675297299e+00 2.52 -4.935861650e+00 -4.935861650e+00 2.54 -5.171517296e+00 -5.171517296e+00 2.56 -5.383915328e+00 -5.383915328e+00 2.58 -5.574584782e+00 -5.574584782e+00 2.60 -5.744952289e+00 -5.744952289e+00 2.62 -5.896307466e+00 -5.896307466e+00 2.64 -6.029756111e+00 -6.029756111e+00 2.66 -6.146505500e+00 -6.146505500e+00 2.68 -6.247869600e+00 -6.247869600e+00 2.70 -6.335037401e+00 -6.335037401e+00 2.72 -6.409080333e+00 -6.409080333e+00 2.74 -6.470961500e+00 -6.470961500e+00 2.76 -6.521545957e+00 -6.521545957e+00 2.78 -6.561611219e+00 -6.561611219e+00 2.80 -6.591808854e+00 -6.591808854e+00 2.82 -6.612304803e+00 -6.612304803e+00 2.84 -6.623077513e+00 -6.623077513e+00 2.86 -6.624173254e+00 -6.624173254e+00 2.88 -6.615697370e+00 -6.615697370e+00 2.90 -6.597805623e+00 -6.597805623e+00 2.92 -6.570696961e+00 -6.570696961e+00 2.94 -6.534606717e+00 -6.534606717e+00 2.96 -6.489799431e+00 -6.489799431e+00 2.98 -6.436560920e+00 -6.436560920e+00 3.00 -6.375189545e+00 -6.375189545e+00 3.02 -6.305987041e+00 -6.305987041e+00 3.04 -6.229249564e+00 -6.229249564e+00 3.06 -6.145259862e+00 -6.145259862e+00 3.08 -6.054281559e+00 -6.054281559e+00 3.10 -5.956556608e+00 -5.956556608e+00 3.12 -5.852306739e+00 -5.852306739e+00 3.14 -5.741739449e+00 -5.741739449e+00 3.16 -5.625072475e+00 -5.625072475e+00 3.18 -5.502629346e+00 -5.502629346e+00 3.20 -5.374555762e+00 -5.374555762e+00 3.22 -5.241029008e+00 -5.241029008e+00 3.24 -5.102325669e+00 -5.102325669e+00 3.26 -4.958825264e+00 -4.958825264e+00 3.28 -4.811010915e+00 -4.811010915e+00 3.30 -4.659465366e+00 -4.659465366e+00 3.32 -4.504861999e+00 -4.504861999e+00 3.34 -4.347954527e+00 -4.347954527e+00 3.36 -4.189551335e+00 -4.189551335e+00 3.38 -4.030486849e+00 -4.030486849e+00 3.40 -3.871594791e+00 -3.871594791e+00 3.42 -3.713681152e+00 -3.713681152e+00 3.44 -3.557498639e+00 -3.557498639e+00 3.46 -3.403724061e+00 -3.403724061e+00 3.48 -3.252939726e+00 -3.252939726e+00 3.50 -3.105619682e+00 -3.105619682e+00 3.52 -2.962121400e+00 -2.962121400e+00 3.54 -2.822683319e+00 -2.822683319e+00 3.56 -2.687428437e+00 -2.687428437e+00 3.58 -2.556373833e+00 -2.556373833e+00 3.60 -2.429445604e+00 -2.429445604e+00 3.62 -2.306498310e+00 -2.306498310e+00 3.64 -2.187337650e+00 -2.187337650e+00 3.66 -2.071744868e+00 -2.071744868e+00 3.68 -1.959501215e+00 -1.959501215e+00 3.70 -1.850410796e+00 -1.850410796e+00 3.72 -1.744320241e+00 -1.744320241e+00 3.74 -1.641133811e+00 -1.641133811e+00 3.76 -1.540822857e+00 -1.540822857e+00 3.78 -1.443428951e+00 -1.443428951e+00 3.80 -1.349060473e+00 -1.349060473e+00 3.82 -1.257883027e+00 -1.257883027e+00 3.84 -1.170104633e+00 -1.170104633e+00 3.86 -1.085957175e+00 -1.085957175e+00 3.88 -1.005675989e+00 -1.005675989e+00 3.90 -9.294796080e-01 -9.294796080e-01 3.92 -8.575516213e-01 -8.575516213e-01 3.94 -7.900262012e-01 -7.900262012e-01 3.96 -7.269783387e-01 -7.269783387e-01 3.98 -6.684191840e-01 -6.684191840e-01 4.00 -6.142962735e-01 -6.142962735e-01 4.02 -5.644979464e-01 -5.644979464e-01 4.04 -5.188609357e-01 -5.188609357e-01 4.06 -4.771799969e-01 -4.771799969e-01 4.08 -4.392184795e-01 -4.392184795e-01 4.10 -4.047189005e-01 -4.047189005e-01 4.12 -3.734128168e-01 -3.734128168e-01 4.14 -3.450294960e-01 -3.450294960e-01 4.16 -3.193031590e-01 -3.193031590e-01 4.18 -2.959786858e-01 -2.959786858e-01 4.20 -2.748158364e-01 -2.748158364e-01 4.22 -2.555921050e-01 -2.555921050e-01 4.24 -2.381043709e-01 -2.381043709e-01 4.26 -2.221695189e-01 -2.221695189e-01 4.28 -2.076242078e-01 -2.076242078e-01 4.30 -1.943239544e-01 -1.943239544e-01 4.32 -1.821416991e-01 -1.821416991e-01 4.34 -1.709660146e-01 -1.709660146e-01 4.36 -1.606991154e-01 -1.606991154e-01 4.38 -1.512548174e-01 -1.512548174e-01 4.40 -1.425565895e-01 -1.425565895e-01 4.42 -1.345358014e-01 -1.345358014e-01 4.44 -1.271301933e-01 -1.271301933e-01 4.46 -1.202825620e-01 -1.202825620e-01 4.48 -1.139405001e-01 -1.139405001e-01 4.50 -1.080553291e-01 -1.080553291e-01 4.52 -1.025816765e-01 -1.025816765e-01 4.54 -9.747727227e-02 -9.747727227e-02 4.56 -9.270263510e-02 -9.270263510e-02 4.58 -8.822150474e-02 -8.822150474e-02 4.60 -8.400054695e-02 -8.400054695e-02 4.62 -8.000913698e-02 -8.000913698e-02 4.64 -7.621931427e-02 -7.621931427e-02 4.66 -7.260571122e-02 -7.260571122e-02 4.68 -6.914546731e-02 -6.914546731e-02 4.70 -6.581814025e-02 -6.581814025e-02 4.72 -6.260562498e-02 -6.260562498e-02 4.74 -5.949208917e-02 -5.949208917e-02 4.76 -5.646393027e-02 -5.646393027e-02 4.78 -5.350975615e-02 -5.350975615e-02 4.80 -5.062038503e-02 -5.062038503e-02 4.82 -4.778886028e-02 -4.778886028e-02 4.84 -4.501046304e-02 -4.501046304e-02 4.86 -4.228271804e-02 -4.228271804e-02 4.88 -3.960536448e-02 -3.960536448e-02 4.90 -3.698027837e-02 -3.698027837e-02 4.92 -3.441132784e-02 -3.441132784e-02 4.94 -3.190415111e-02 -3.190415111e-02 4.96 -2.946584867e-02 -2.946584867e-02 4.98 -2.710458907e-02 -2.710458907e-02 5.00 -2.482915012e-02 -2.482915012e-02 5.02 -2.264841730e-02 -2.264841730e-02 5.04 -2.057087244e-02 -2.057087244e-02 5.06 -1.860411004e-02 -1.860411004e-02 5.08 -1.675430652e-02 -1.675430652e-02 5.10 -1.502591633e-02 -1.502591633e-02 5.12 -1.342190999e-02 -1.342190999e-02 5.14 -1.194330435e-02 -1.194330435e-02 5.16 -1.058918281e-02 -1.058918281e-02 5.18 -9.356840311e-03 -9.356840311e-03 5.20 -8.242008753e-03 -8.242008753e-03 5.22 -7.239134564e-03 -7.239134564e-03 5.24 -6.341680940e-03 -6.341680940e-03 5.26 -5.542430172e-03 -5.542430172e-03 5.28 -4.833766802e-03 -4.833766802e-03 5.30 -4.207928213e-03 -4.207928213e-03 5.32 -3.657214973e-03 -3.657214973e-03 5.34 -3.174158171e-03 -3.174158171e-03 5.36 -2.751644789e-03 -2.751644789e-03 5.38 -2.383004721e-03 -2.383004721e-03 5.40 -2.062064600e-03 -2.062064600e-03 5.42 -1.783174206e-03 -1.783174206e-03 5.44 -1.541211249e-03 -1.541211249e-03 5.46 -1.331569859e-03 -1.331569859e-03 5.48 -1.150137493e-03 -1.150137493e-03 5.50 -9.932641421e-04 -9.932641421e-04 5.52 -8.577270136e-04 -8.577270136e-04 5.54 -7.406930985e-04 -7.406930985e-04 5.56 -6.396814422e-04 -6.396814422e-04 5.58 -5.525264012e-04 -5.525264012e-04 5.60 -4.773427525e-04 -4.773427525e-04 5.62 -4.124931924e-04 -4.124931924e-04 5.64 -3.565585117e-04 -3.565585117e-04 5.66 -3.083105552e-04 -3.083105552e-04 5.68 -2.666879409e-04 -2.666879409e-04 5.70 -2.307744321e-04 -2.307744321e-04 5.72 -1.997797979e-04 -1.997797979e-04 5.74 -1.730229687e-04 -1.730229687e-04 5.76 -1.499172783e-04 -1.499172783e-04 5.78 -1.299575833e-04 -1.299575833e-04 5.80 -1.127090577e-04 -1.127090577e-04 5.82 -9.779746882e-05 -9.779746882e-05 5.84 -8.490075938e-05 -8.490075938e-05 5.86 -7.374177177e-05 -7.374177177e-05 5.88 -6.408197035e-05 -6.408197035e-05 5.90 -5.571603106e-05 -5.571603106e-05 5.92 -4.846718314e-05 -4.846718314e-05 5.94 -4.218320182e-05 -4.218320182e-05 5.96 -3.673296288e-05 -3.673296288e-05 5.98 -3.200348205e-05 -3.200348205e-05 6.00 -2.789737152e-05 -2.789737152e-05