# 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 = CuNi2W # 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 1.642193732e+02 1.642193732e+02 1.30 1.505589248e+02 1.505589248e+02 1.32 1.380127936e+02 1.380127936e+02 1.34 1.264791322e+02 1.264791322e+02 1.36 1.158645747e+02 1.158645747e+02 1.38 1.060860197e+02 1.060860197e+02 1.40 9.707054064e+01 9.707054064e+01 1.42 8.875446860e+01 8.875446860e+01 1.44 8.108198939e+01 8.108198939e+01 1.46 7.400327010e+01 7.400327010e+01 1.48 6.747262815e+01 6.747262815e+01 1.50 6.144748976e+01 6.144748976e+01 1.52 5.588842472e+01 5.588842472e+01 1.54 5.075967672e+01 5.075967672e+01 1.56 4.602926020e+01 4.602926020e+01 1.58 4.166840105e+01 4.166840105e+01 1.60 3.765089090e+01 3.765089090e+01 1.62 3.395278319e+01 3.395278319e+01 1.64 3.055222920e+01 3.055222920e+01 1.66 2.742922229e+01 2.742922229e+01 1.68 2.456528398e+01 2.456528398e+01 1.70 2.194170938e+01 2.194170938e+01 1.72 1.953966344e+01 1.953966344e+01 1.74 1.734022031e+01 1.734022031e+01 1.76 1.532470401e+01 1.532470401e+01 1.78 1.347543610e+01 1.347543610e+01 1.80 1.177629200e+01 1.177629200e+01 1.82 1.021314324e+01 1.021314324e+01 1.84 8.774008602e+00 8.774008602e+00 1.86 7.448897687e+00 7.448897687e+00 1.88 6.229447209e+00 6.229447209e+00 1.90 5.108491929e+00 5.108491929e+00 1.92 4.079681878e+00 4.079681878e+00 1.94 3.137200660e+00 3.137200660e+00 1.96 2.275592775e+00 2.275592775e+00 1.98 1.489674336e+00 1.489674336e+00 2.00 7.744841528e-01 7.744841528e-01 2.02 1.252394934e-01 1.252394934e-01 2.04 -4.627136028e-01 -4.627136028e-01 2.06 -9.939427693e-01 -9.939427693e-01 2.08 -1.472945487e+00 -1.472945487e+00 2.10 -1.904127567e+00 -1.904127567e+00 2.12 -2.291745758e+00 -2.291745758e+00 2.14 -2.639829117e+00 -2.639829117e+00 2.16 -2.952101958e+00 -2.952101958e+00 2.18 -3.231931302e+00 -3.231931302e+00 2.20 -3.482304336e+00 -3.482304336e+00 2.22 -3.705738541e+00 -3.705738541e+00 2.24 -3.904725152e+00 -3.904725152e+00 2.26 -4.081567678e+00 -4.081567678e+00 2.28 -4.238345207e+00 -4.238345207e+00 2.30 -4.376985712e+00 -4.376985712e+00 2.32 -4.499311328e+00 -4.499311328e+00 2.34 -4.606824541e+00 -4.606824541e+00 2.36 -4.700638821e+00 -4.700638821e+00 2.38 -4.781849060e+00 -4.781849060e+00 2.40 -4.851465967e+00 -4.851465967e+00 2.42 -4.910350951e+00 -4.910350951e+00 2.44 -4.959203778e+00 -4.959203778e+00 2.46 -4.998589750e+00 -4.998589750e+00 2.48 -5.028983820e+00 -5.028983820e+00 2.50 -5.050812246e+00 -5.050812246e+00 2.52 -5.064481844e+00 -5.064481844e+00 2.54 -5.070395619e+00 -5.070395619e+00 2.56 -5.068958326e+00 -5.068958326e+00 2.58 -5.060578164e+00 -5.060578164e+00 2.60 -5.045661566e+00 -5.045661566e+00 2.62 -5.024618249e+00 -5.024618249e+00 2.64 -4.997866076e+00 -4.997866076e+00 2.66 -4.965876308e+00 -4.965876308e+00 2.68 -4.929342321e+00 -4.929342321e+00 2.70 -4.888478911e+00 -4.888478911e+00 2.72 -4.843452467e+00 -4.843452467e+00 2.74 -4.794406838e+00 -4.794406838e+00 2.76 -4.741302111e+00 -4.741302111e+00 2.78 -4.684116869e+00 -4.684116869e+00 2.80 -4.622881306e+00 -4.622881306e+00 2.82 -4.557697462e+00 -4.557697462e+00 2.84 -4.488696431e+00 -4.488696431e+00 2.86 -4.416016952e+00 -4.416016952e+00 2.88 -4.339816129e+00 -4.339816129e+00 2.90 -4.260283308e+00 -4.260283308e+00 2.92 -4.177652305e+00 -4.177652305e+00 2.94 -4.092208618e+00 -4.092208618e+00 2.96 -4.004289713e+00 -4.004289713e+00 2.98 -3.914278010e+00 -3.914278010e+00 3.00 -3.822587344e+00 -3.822587344e+00 3.02 -3.729644679e+00 -3.729644679e+00 3.04 -3.635869434e+00 -3.635869434e+00 3.06 -3.541653072e+00 -3.541653072e+00 3.08 -3.447341425e+00 -3.447341425e+00 3.10 -3.353221665e+00 -3.353221665e+00 3.12 -3.259515017e+00 -3.259515017e+00 3.14 -3.166375373e+00 -3.166375373e+00 3.16 -3.073893216e+00 -3.073893216e+00 3.18 -2.982103736e+00 -2.982103736e+00 3.20 -2.890997840e+00 -2.890997840e+00 3.22 -2.800534831e+00 -2.800534831e+00 3.24 -2.710655731e+00 -2.710655731e+00 3.26 -2.621296503e+00 -2.621296503e+00 3.28 -2.532400627e+00 -2.532400627e+00 3.30 -2.443930605e+00 -2.443930605e+00 3.32 -2.355878021e+00 -2.355878021e+00 3.34 -2.268271721e+00 -2.268271721e+00 3.36 -2.181183657e+00 -2.181183657e+00 3.38 -2.094731896e+00 -2.094731896e+00 3.40 -2.009080369e+00 -2.009080369e+00 3.42 -1.924435081e+00 -1.924435081e+00 3.44 -1.841036768e+00 -1.841036768e+00 3.46 -1.759150362e+00 -1.759150362e+00 3.48 -1.679051966e+00 -1.679051966e+00 3.50 -1.601014431e+00 -1.601014431e+00 3.52 -1.525292810e+00 -1.525292810e+00 3.54 -1.452111038e+00 -1.452111038e+00 3.56 -1.381651050e+00 -1.381651050e+00 3.58 -1.314045217e+00 -1.314045217e+00 3.60 -1.249372609e+00 -1.249372609e+00 3.62 -1.187659107e+00 -1.187659107e+00 3.64 -1.128881049e+00 -1.128881049e+00 3.66 -1.072971765e+00 -1.072971765e+00 3.68 -1.019830218e+00 -1.019830218e+00 3.70 -9.693308946e-01 -9.693308946e-01 3.72 -9.213341105e-01 -9.213341105e-01 3.74 -8.756959673e-01 -8.756959673e-01 3.76 -8.322772657e-01 -8.322772657e-01 3.78 -7.909507709e-01 -7.909507709e-01 3.80 -7.516063281e-01 -7.516063281e-01 3.82 -7.141534641e-01 -7.141534641e-01 3.84 -6.785213198e-01 -6.785213198e-01 3.86 -6.446560379e-01 -6.446560379e-01 3.88 -6.125160480e-01 -6.125160480e-01 3.90 -5.820659991e-01 -5.820659991e-01 3.92 -5.532702909e-01 -5.532702909e-01 3.94 -5.260871904e-01 -5.260871904e-01 3.96 -5.004643590e-01 -5.004643590e-01 3.98 -4.763362920e-01 -4.763362920e-01 4.00 -4.536237844e-01 -4.536237844e-01 4.02 -4.322351721e-01 -4.322351721e-01 4.04 -4.120688604e-01 -4.120688604e-01 4.06 -3.930165544e-01 -3.930165544e-01 4.08 -3.749666524e-01 -3.749666524e-01 4.10 -3.578073951e-01 -3.578073951e-01 4.12 -3.414295307e-01 -3.414295307e-01 4.14 -3.257284109e-01 -3.257284109e-01 4.16 -3.106055550e-01 -3.106055550e-01 4.18 -2.959697902e-01 -2.959697902e-01 4.20 -2.817381135e-01 -2.817381135e-01 4.22 -2.678364169e-01 -2.678364169e-01 4.24 -2.542001989e-01 -2.542001989e-01 4.26 -2.407753430e-01 -2.407753430e-01 4.28 -2.275189981e-01 -2.275189981e-01 4.30 -2.144005414e-01 -2.144005414e-01 4.32 -2.014025433e-01 -2.014025433e-01 4.34 -1.885216041e-01 -1.885216041e-01 4.36 -1.757688839e-01 -1.757688839e-01 4.38 -1.631701223e-01 -1.631701223e-01 4.40 -1.507649524e-01 -1.507649524e-01 4.42 -1.386053541e-01 -1.386053541e-01 4.44 -1.267531804e-01 -1.267531804e-01 4.46 -1.152768095e-01 -1.152768095e-01 4.48 -1.042471166e-01 -1.042471166e-01 4.50 -9.373308474e-02 -9.373308474e-02 4.52 -8.379746693e-02 -8.379746693e-02 4.54 -7.449293058e-02 -7.449293058e-02 4.56 -6.585906953e-02 -6.585906953e-02 4.58 -5.792054783e-02 -5.792054783e-02 4.60 -5.068647715e-02 -5.068647715e-02 4.62 -4.415083119e-02 -4.415083119e-02 4.64 -3.829393537e-02 -3.829393537e-02 4.66 -3.308547296e-02 -3.308547296e-02 4.68 -2.848635495e-02 -2.848635495e-02 4.70 -2.445138625e-02 -2.445138625e-02 4.72 -2.093181648e-02 -2.093181648e-02 4.74 -1.787718034e-02 -1.787718034e-02 4.76 -1.523811891e-02 -1.523811891e-02 4.78 -1.296731051e-02 -1.296731051e-02 4.80 -1.102014147e-02 -1.102014147e-02 4.82 -9.355398102e-03 -9.355398102e-03 4.84 -7.935631132e-03 -7.935631132e-03 4.86 -6.727270125e-03 -6.727270125e-03 4.88 -5.700556696e-03 -5.700556696e-03 4.90 -4.829355345e-03 -4.829355345e-03 4.92 -4.090888716e-03 -4.090888716e-03 4.94 -3.465432942e-03 -3.465432942e-03 4.96 -2.935998959e-03 -2.935998959e-03 4.98 -2.488017697e-03 -2.488017697e-03 5.00 -2.109040752e-03 -2.109040752e-03 5.02 -1.788463435e-03 -1.788463435e-03 5.04 -1.517273674e-03 -1.517273674e-03 5.06 -1.287827876e-03 -1.287827876e-03 5.08 -1.093653272e-03 -1.093653272e-03 5.10 -9.292752866e-04 -9.292752866e-04 5.12 -7.900679332e-04 -7.900679332e-04 5.14 -6.721249672e-04 -6.721249672e-04 5.16 -5.721494759e-04 -5.721494759e-04 5.18 -4.873596540e-04 -4.873596540e-04 5.20 -4.154086580e-04 -4.154086580e-04 5.22 -3.543166180e-04 -3.543166180e-04 5.24 -3.024130860e-04 -3.024130860e-04 5.26 -2.582884022e-04 -2.582884022e-04 5.28 -2.207526515e-04 -2.207526515e-04 5.30 -1.888010611e-04 -1.888010611e-04 5.32 -1.615848506e-04 -1.615848506e-04 5.34 -1.383866885e-04 -1.383866885e-04 5.36 -1.186000347e-04 -1.186000347e-04 5.38 -1.017117569e-04 -1.017117569e-04 5.40 -8.728750237e-05 -8.728750237e-05 5.42 -7.495938870e-05 -7.495938870e-05 5.44 -6.441564325e-05 -6.441564325e-05 5.46 -5.539188137e-05 -5.539188137e-05 5.48 -4.766376153e-05 -4.766376153e-05 5.50 -4.104079780e-05 -4.104079780e-05 5.52 -3.536114517e-05 -3.536114517e-05 5.54 -3.048720262e-05 -3.048720262e-05 5.56 -2.630190381e-05 -2.630190381e-05 5.58 -2.270558633e-05 -2.270558633e-05 5.60 -1.961334757e-05 -1.961334757e-05 5.62 -1.695281059e-05 -1.695281059e-05 5.64 -1.466223489e-05 -1.466223489e-05 5.66 -1.268891828e-05 -1.268891828e-05 5.68 -1.098784378e-05 -1.098784378e-05 5.70 -9.520533474e-06 -9.520533474e-06 5.72 -8.254077011e-06 -8.254077011e-06 5.74 -7.160307513e-06 -7.160307513e-06 5.76 -6.215102178e-06 -6.215102178e-06 5.78 -5.397788254e-06 -5.397788254e-06 5.80 -4.690638213e-06 -4.690638213e-06 5.82 -4.078440434e-06 -4.078440434e-06 5.84 -3.548133860e-06 -3.548133860e-06 5.86 -3.088496906e-06 -3.088496906e-06 5.88 -2.689882368e-06 -2.689882368e-06 5.90 -2.343991408e-06 -2.343991408e-06 5.92 -2.043680706e-06 -2.043680706e-06 5.94 -1.782797828e-06 -1.782797828e-06 5.96 -1.556040570e-06 -1.556040570e-06 5.98 -1.358836732e-06 -1.358836732e-06 6.00 -1.187241267e-06 -1.187241267e-06