# 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 = AuTiZr2 # 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 3.887907217e+02 3.887907217e+02 1.30 3.620080428e+02 3.620080428e+02 1.32 3.371461344e+02 3.371461344e+02 1.34 3.140509210e+02 3.140509210e+02 1.36 2.925825336e+02 2.925825336e+02 1.38 2.726152902e+02 2.726152902e+02 1.40 2.540360553e+02 2.540360553e+02 1.42 2.367417314e+02 2.367417314e+02 1.44 2.206371601e+02 2.206371601e+02 1.46 2.056338352e+02 2.056338352e+02 1.48 1.916494782e+02 1.916494782e+02 1.50 1.786083583e+02 1.786083583e+02 1.52 1.664416992e+02 1.664416992e+02 1.54 1.550872193e+02 1.550872193e+02 1.56 1.444880201e+02 1.444880201e+02 1.58 1.345913522e+02 1.345913522e+02 1.60 1.253479110e+02 1.253479110e+02 1.62 1.167116029e+02 1.167116029e+02 1.64 1.086396495e+02 1.086396495e+02 1.66 1.010925963e+02 1.010925963e+02 1.68 9.403418101e+01 9.403418101e+01 1.70 8.743106145e+01 8.743106145e+01 1.72 8.125242375e+01 8.125242375e+01 1.74 7.546966429e+01 7.546966429e+01 1.76 7.005622117e+01 7.005622117e+01 1.78 6.498748908e+01 6.498748908e+01 1.80 6.024069842e+01 6.024069842e+01 1.82 5.579471114e+01 5.579471114e+01 1.84 5.162985777e+01 5.162985777e+01 1.86 4.772786190e+01 4.772786190e+01 1.88 4.407172068e+01 4.407172068e+01 1.90 4.064553355e+01 4.064553355e+01 1.92 3.743434202e+01 3.743434202e+01 1.94 3.442399060e+01 3.442399060e+01 1.96 3.160115193e+01 3.160115193e+01 1.98 2.895385770e+01 2.895385770e+01 2.00 2.647130238e+01 2.647130238e+01 2.02 2.414665226e+01 2.414665226e+01 2.04 2.197596709e+01 2.197596709e+01 2.06 1.994951373e+01 1.994951373e+01 2.08 1.805814157e+01 1.805814157e+01 2.10 1.629333491e+01 1.629333491e+01 2.12 1.464713925e+01 1.464713925e+01 2.14 1.311210872e+01 1.311210872e+01 2.16 1.168125062e+01 1.168125062e+01 2.18 1.034797514e+01 1.034797514e+01 2.20 9.106080379e+00 9.106080379e+00 2.22 7.949727269e+00 7.949727269e+00 2.24 6.873430408e+00 6.873430408e+00 2.26 5.872051581e+00 5.872051581e+00 2.28 4.940777901e+00 4.940777901e+00 2.30 4.075131340e+00 4.075131340e+00 2.32 3.270939143e+00 3.270939143e+00 2.34 2.524317088e+00 2.524317088e+00 2.36 1.831648275e+00 1.831648275e+00 2.38 1.189554596e+00 1.189554596e+00 2.40 5.948647949e-01 5.948647949e-01 2.42 4.457510515e-02 4.457510515e-02 2.44 -4.641698325e-01 -4.641698325e-01 2.46 -9.340971390e-01 -9.340971390e-01 2.48 -1.367802657e+00 -1.367802657e+00 2.50 -1.767739773e+00 -1.767739773e+00 2.52 -2.136207701e+00 -2.136207701e+00 2.54 -2.475346539e+00 -2.475346539e+00 2.56 -2.787140719e+00 -2.787140719e+00 2.58 -3.073428065e+00 -3.073428065e+00 2.60 -3.335910827e+00 -3.335910827e+00 2.62 -3.576165331e+00 -3.576165331e+00 2.64 -3.795656193e+00 -3.795656193e+00 2.66 -3.995738073e+00 -3.995738073e+00 2.68 -4.177669992e+00 -4.177669992e+00 2.70 -4.342623517e+00 -4.342623517e+00 2.72 -4.491692169e+00 -4.491692169e+00 2.74 -4.625899256e+00 -4.625899256e+00 2.76 -4.746203004e+00 -4.746203004e+00 2.78 -4.853500827e+00 -4.853500827e+00 2.80 -4.948744006e+00 -4.948744006e+00 2.82 -5.032650380e+00 -5.032650380e+00 2.84 -5.105828998e+00 -5.105828998e+00 2.86 -5.168864554e+00 -5.168864554e+00 2.88 -5.222318942e+00 -5.222318942e+00 2.90 -5.266734321e+00 -5.266734321e+00 2.92 -5.302636722e+00 -5.302636722e+00 2.94 -5.330539531e+00 -5.330539531e+00 2.96 -5.350918059e+00 -5.350918059e+00 2.98 -5.364040269e+00 -5.364040269e+00 3.00 -5.370124824e+00 -5.370124824e+00 3.02 -5.369468541e+00 -5.369468541e+00 3.04 -5.362383191e+00 -5.362383191e+00 3.06 -5.349178131e+00 -5.349178131e+00 3.08 -5.330175612e+00 -5.330175612e+00 3.10 -5.305716802e+00 -5.305716802e+00 3.12 -5.276146156e+00 -5.276146156e+00 3.14 -5.241815697e+00 -5.241815697e+00 3.16 -5.203065737e+00 -5.203065737e+00 3.18 -5.160244585e+00 -5.160244585e+00 3.20 -5.113736730e+00 -5.113736730e+00 3.22 -5.063781131e+00 -5.063781131e+00 3.24 -5.010573074e+00 -5.010573074e+00 3.26 -4.954324754e+00 -4.954324754e+00 3.28 -4.895264914e+00 -4.895264914e+00 3.30 -4.833636782e+00 -4.833636782e+00 3.32 -4.769694166e+00 -4.769694166e+00 3.34 -4.703695068e+00 -4.703695068e+00 3.36 -4.635893473e+00 -4.635893473e+00 3.38 -4.566529307e+00 -4.566529307e+00 3.40 -4.495818298e+00 -4.495818298e+00 3.42 -4.423959020e+00 -4.423959020e+00 3.44 -4.351123277e+00 -4.351123277e+00 3.46 -4.277465930e+00 -4.277465930e+00 3.48 -4.203127060e+00 -4.203127060e+00 3.50 -4.128236301e+00 -4.128236301e+00 3.52 -4.052916400e+00 -4.052916400e+00 3.54 -3.977285381e+00 -3.977285381e+00 3.56 -3.901457149e+00 -3.901457149e+00 3.58 -3.825540736e+00 -3.825540736e+00 3.60 -3.749638654e+00 -3.749638654e+00 3.62 -3.673844992e+00 -3.673844992e+00 3.64 -3.598243888e+00 -3.598243888e+00 3.66 -3.522908863e+00 -3.522908863e+00 3.68 -3.447903256e+00 -3.447903256e+00 3.70 -3.373281783e+00 -3.373281783e+00 3.72 -3.299093056e+00 -3.299093056e+00 3.74 -3.225382787e+00 -3.225382787e+00 3.76 -3.152197350e+00 -3.152197350e+00 3.78 -3.079587317e+00 -3.079587317e+00 3.80 -3.007610524e+00 -3.007610524e+00 3.82 -2.936334154e+00 -2.936334154e+00 3.84 -2.865835339e+00 -2.865835339e+00 3.86 -2.796199896e+00 -2.796199896e+00 3.88 -2.727519095e+00 -2.727519095e+00 3.90 -2.659884780e+00 -2.659884780e+00 3.92 -2.593380265e+00 -2.593380265e+00 3.94 -2.528088387e+00 -2.528088387e+00 3.96 -2.464065102e+00 -2.464065102e+00 3.98 -2.401352081e+00 -2.401352081e+00 4.00 -2.339972000e+00 -2.339972000e+00 4.02 -2.279929898e+00 -2.279929898e+00 4.04 -2.221215971e+00 -2.221215971e+00 4.06 -2.163809127e+00 -2.163809127e+00 4.08 -2.107680678e+00 -2.107680678e+00 4.10 -2.052790353e+00 -2.052790353e+00 4.12 -1.999119898e+00 -1.999119898e+00 4.14 -1.946626639e+00 -1.946626639e+00 4.16 -1.895279122e+00 -1.895279122e+00 4.18 -1.845048976e+00 -1.845048976e+00 4.20 -1.795911411e+00 -1.795911411e+00 4.22 -1.747845360e+00 -1.747845360e+00 4.24 -1.700833361e+00 -1.700833361e+00 4.26 -1.654861224e+00 -1.654861224e+00 4.28 -1.609917524e+00 -1.609917524e+00 4.30 -1.565992960e+00 -1.565992960e+00 4.32 -1.523079619e+00 -1.523079619e+00 4.34 -1.481170192e+00 -1.481170192e+00 4.36 -1.440257199e+00 -1.440257199e+00 4.38 -1.400332274e+00 -1.400332274e+00 4.40 -1.361385585e+00 -1.361385585e+00 4.42 -1.323405403e+00 -1.323405403e+00 4.44 -1.286377861e+00 -1.286377861e+00 4.46 -1.250286889e+00 -1.250286889e+00 4.48 -1.215114297e+00 -1.215114297e+00 4.50 -1.180839987e+00 -1.180839987e+00 4.52 -1.147442232e+00 -1.147442232e+00 4.54 -1.114897995e+00 -1.114897995e+00 4.56 -1.083183251e+00 -1.083183251e+00 4.58 -1.052273291e+00 -1.052273291e+00 4.60 -1.022143004e+00 -1.022143004e+00 4.62 -9.927671241e-01 -9.927671241e-01 4.64 -9.641204523e-01 -9.641204523e-01 4.66 -9.361780668e-01 -9.361780668e-01 4.68 -9.089155216e-01 -9.089155216e-01 4.70 -8.823090495e-01 -8.823090495e-01 4.72 -8.563357745e-01 -8.563357745e-01 4.74 -8.309739384e-01 -8.309739384e-01 4.76 -8.062031430e-01 -8.062031430e-01 4.78 -7.820046037e-01 -7.820046037e-01 4.80 -7.583553403e-01 -7.583553403e-01 4.82 -7.352537198e-01 -7.352537198e-01 4.84 -7.126800252e-01 -7.126800252e-01 4.86 -6.906243549e-01 -6.906243549e-01 4.88 -6.690794154e-01 -6.690794154e-01 4.90 -6.480405187e-01 -6.480405187e-01 4.92 -6.275054520e-01 -6.275054520e-01 4.94 -6.074742022e-01 -6.074742022e-01 4.96 -5.879485269e-01 -5.879485269e-01 4.98 -5.689313792e-01 -5.689313792e-01 5.00 -5.504262098e-01 -5.504262098e-01 5.02 -5.324361913e-01 -5.324361913e-01 5.04 -5.149634187e-01 -5.149634187e-01 5.06 -4.980081569e-01 -4.980081569e-01 5.08 -4.815681981e-01 -4.815681981e-01 5.10 -4.656383897e-01 -4.656383897e-01 5.12 -4.502103720e-01 -4.502103720e-01 5.14 -4.352725444e-01 -4.352725444e-01 5.16 -4.208102530e-01 -4.208102530e-01 5.18 -4.068061755e-01 -4.068061755e-01 5.20 -3.932408599e-01 -3.932408599e-01 5.22 -3.800933712e-01 -3.800933712e-01 5.24 -3.673419955e-01 -3.673419955e-01 5.26 -3.549649580e-01 -3.549649580e-01 5.28 -3.429411181e-01 -3.429411181e-01 5.30 -3.312506097e-01 -3.312506097e-01 5.32 -3.198754046e-01 -3.198754046e-01 5.34 -3.087997753e-01 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-1.127912543e-01 -1.127912543e-01 5.88 -1.082681575e-01 -1.082681575e-01 5.90 -1.039003679e-01 -1.039003679e-01 5.92 -9.967943191e-02 -9.967943191e-02 5.94 -9.559648765e-02 -9.559648765e-02 5.96 -9.164228571e-02 -9.164228571e-02 5.98 -8.780726865e-02 -8.780726865e-02 6.00 -8.408170451e-02 -8.408170451e-02