# 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 = AgWZr2 # 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 4.110767930e+02 4.110767930e+02 1.30 3.816410572e+02 3.816410572e+02 1.32 3.543706634e+02 3.543706634e+02 1.34 3.290935120e+02 3.290935120e+02 1.36 3.056513999e+02 3.056513999e+02 1.38 2.838991178e+02 2.838991178e+02 1.40 2.637036168e+02 2.637036168e+02 1.42 2.449426372e+02 2.449426372e+02 1.44 2.275034576e+02 2.275034576e+02 1.46 2.112826034e+02 2.112826034e+02 1.48 1.961862305e+02 1.961862305e+02 1.50 1.821300538e+02 1.821300538e+02 1.52 1.690384279e+02 1.690384279e+02 1.54 1.568430156e+02 1.568430156e+02 1.56 1.454817417e+02 1.454817417e+02 1.58 1.348981962e+02 1.348981962e+02 1.60 1.250409740e+02 1.250409740e+02 1.62 1.158626350e+02 1.158626350e+02 1.64 1.073185546e+02 1.073185546e+02 1.66 9.936609524e+01 9.936609524e+01 1.68 9.196431486e+01 9.196431486e+01 1.70 8.507421406e+01 8.507421406e+01 1.72 7.865907504e+01 7.865907504e+01 1.74 7.268470332e+01 7.268470332e+01 1.76 6.711943776e+01 6.711943776e+01 1.78 6.193404250e+01 6.193404250e+01 1.80 5.710149399e+01 5.710149399e+01 1.82 5.259678735e+01 5.259678735e+01 1.84 4.839667616e+01 4.839667616e+01 1.86 4.447962624e+01 4.447962624e+01 1.88 4.082585074e+01 4.082585074e+01 1.90 3.741736921e+01 3.741736921e+01 1.92 3.423791232e+01 3.423791232e+01 1.94 3.127269655e+01 3.127269655e+01 1.96 2.850809661e+01 2.850809661e+01 1.98 2.593168137e+01 2.593168137e+01 2.00 2.353281268e+01 2.353281268e+01 2.02 2.130034487e+01 2.130034487e+01 2.04 1.922372238e+01 1.922372238e+01 2.06 1.729335154e+01 1.729335154e+01 2.08 1.549914625e+01 1.549914625e+01 2.10 1.383128428e+01 1.383128428e+01 2.12 1.228034358e+01 1.228034358e+01 2.14 1.083742776e+01 1.083742776e+01 2.16 9.494321867e+00 9.494321867e+00 2.18 8.243585380e+00 8.243585380e+00 2.20 7.078574317e+00 7.078574317e+00 2.22 5.993364205e+00 5.993364205e+00 2.24 4.982649959e+00 4.982649959e+00 2.26 4.041653601e+00 4.041653601e+00 2.28 3.166039927e+00 3.166039927e+00 2.30 2.351887452e+00 2.351887452e+00 2.32 1.595595571e+00 1.595595571e+00 2.34 8.938641740e-01 8.938641740e-01 2.36 2.436029694e-01 2.436029694e-01 2.38 -3.581191784e-01 -3.581191784e-01 2.40 -9.141205739e-01 -9.141205739e-01 2.42 -1.427146427e+00 -1.427146427e+00 2.44 -1.899880611e+00 -1.899880611e+00 2.46 -2.334955503e+00 -2.334955503e+00 2.48 -2.734937168e+00 -2.734937168e+00 2.50 -3.102298779e+00 -3.102298779e+00 2.52 -3.439387467e+00 -3.439387467e+00 2.54 -3.748392718e+00 -3.748392718e+00 2.56 -4.031323703e+00 -4.031323703e+00 2.58 -4.290001061e+00 -4.290001061e+00 2.60 -4.526065017e+00 -4.526065017e+00 2.62 -4.740992779e+00 -4.740992779e+00 2.64 -4.936141950e+00 -4.936141950e+00 2.66 -5.112750273e+00 -5.112750273e+00 2.68 -5.271975653e+00 -5.271975653e+00 2.70 -5.414905843e+00 -5.414905843e+00 2.72 -5.542568213e+00 -5.542568213e+00 2.74 -5.655890610e+00 -5.655890610e+00 2.76 -5.755780936e+00 -5.755780936e+00 2.78 -5.843150148e+00 -5.843150148e+00 2.80 -5.918873988e+00 -5.918873988e+00 2.82 -5.983838941e+00 -5.983838941e+00 2.84 -6.038672235e+00 -6.038672235e+00 2.86 -6.083932988e+00 -6.083932988e+00 2.88 -6.120152594e+00 -6.120152594e+00 2.90 -6.147836657e+00 -6.147836657e+00 2.92 -6.167466461e+00 -6.167466461e+00 2.94 -6.179431975e+00 -6.179431975e+00 2.96 -6.184010640e+00 -6.184010640e+00 2.98 -6.181406434e+00 -6.181406434e+00 3.00 -6.171629366e+00 -6.171629366e+00 3.02 -6.154711896e+00 -6.154711896e+00 3.04 -6.130738524e+00 -6.130738524e+00 3.06 -6.099848037e+00 -6.099848037e+00 3.08 -6.062200151e+00 -6.062200151e+00 3.10 -6.017984585e+00 -6.017984585e+00 3.12 -5.967407507e+00 -5.967407507e+00 3.14 -5.910705470e+00 -5.910705470e+00 3.16 -5.848117186e+00 -5.848117186e+00 3.18 -5.779902454e+00 -5.779902454e+00 3.20 -5.706337424e+00 -5.706337424e+00 3.22 -5.627715937e+00 -5.627715937e+00 3.24 -5.544351893e+00 -5.544351893e+00 3.26 -5.456582390e+00 -5.456582390e+00 3.28 -5.364770597e+00 -5.364770597e+00 3.30 -5.269370898e+00 -5.269370898e+00 3.32 -5.170808037e+00 -5.170808037e+00 3.34 -5.069435255e+00 -5.069435255e+00 3.36 -4.965639467e+00 -4.965639467e+00 3.38 -4.859829701e+00 -4.859829701e+00 3.40 -4.752426182e+00 -4.752426182e+00 3.42 -4.643860885e+00 -4.643860885e+00 3.44 -4.534562652e+00 -4.534562652e+00 3.46 -4.424961407e+00 -4.424961407e+00 3.48 -4.315482123e+00 -4.315482123e+00 3.50 -4.206541124e+00 -4.206541124e+00 3.52 -4.098534603e+00 -4.098534603e+00 3.54 -3.991827131e+00 -3.991827131e+00 3.56 -3.886742219e+00 -3.886742219e+00 3.58 -3.783554290e+00 -3.783554290e+00 3.60 -3.682483179e+00 -3.682483179e+00 3.62 -3.583691741e+00 -3.583691741e+00 3.64 -3.487286723e+00 -3.487286723e+00 3.66 -3.393322626e+00 -3.393322626e+00 3.68 -3.301808013e+00 -3.301808013e+00 3.70 -3.212713618e+00 -3.212713618e+00 3.72 -3.125981582e+00 -3.125981582e+00 3.74 -3.041535169e+00 -3.041535169e+00 3.76 -2.959288368e+00 -2.959288368e+00 3.78 -2.879154802e+00 -2.879154802e+00 3.80 -2.801055342e+00 -2.801055342e+00 3.82 -2.724923812e+00 -2.724923812e+00 3.84 -2.650710254e+00 -2.650710254e+00 3.86 -2.578381378e+00 -2.578381378e+00 3.88 -2.507918197e+00 -2.507918197e+00 3.90 -2.439311313e+00 -2.439311313e+00 3.92 -2.372551207e+00 -2.372551207e+00 3.94 -2.307636936e+00 -2.307636936e+00 3.96 -2.244547082e+00 -2.244547082e+00 3.98 -2.183253121e+00 -2.183253121e+00 4.00 -2.123713814e+00 -2.123713814e+00 4.02 -2.065876171e+00 -2.065876171e+00 4.04 -2.009677912e+00 -2.009677912e+00 4.06 -1.955050747e+00 -1.955050747e+00 4.08 -1.901923781e+00 -1.901923781e+00 4.10 -1.850217993e+00 -1.850217993e+00 4.12 -1.799884698e+00 -1.799884698e+00 4.14 -1.750850571e+00 -1.750850571e+00 4.16 -1.703058736e+00 -1.703058736e+00 4.18 -1.656458754e+00 -1.656458754e+00 4.20 -1.611006806e+00 -1.611006806e+00 4.22 -1.566665554e+00 -1.566665554e+00 4.24 -1.523403771e+00 -1.523403771e+00 4.26 -1.481195775e+00 -1.481195775e+00 4.28 -1.440020716e+00 -1.440020716e+00 4.30 -1.399861730e+00 -1.399861730e+00 4.32 -1.360704995e+00 -1.360704995e+00 4.34 -1.322538722e+00 -1.322538722e+00 4.36 -1.285352135e+00 -1.285352135e+00 4.38 -1.249134503e+00 -1.249134503e+00 4.40 -1.213874279e+00 -1.213874279e+00 4.42 -1.179558428e+00 -1.179558428e+00 4.44 -1.146171951e+00 -1.146171951e+00 4.46 -1.113697649e+00 -1.113697649e+00 4.48 -1.082116100e+00 -1.082116100e+00 4.50 -1.051405809e+00 -1.051405809e+00 4.52 -1.021543509e+00 -1.021543509e+00 4.54 -9.925045272e-01 -9.925045272e-01 4.56 -9.642631976e-01 -9.642631976e-01 4.58 -9.367932574e-01 -9.367932574e-01 4.60 -9.100682176e-01 -9.100682176e-01 4.62 -8.840616830e-01 -8.840616830e-01 4.64 -8.587476218e-01 -8.587476218e-01 4.66 -8.341005866e-01 -8.341005866e-01 4.68 -8.100958954e-01 -8.100958954e-01 4.70 -7.867097844e-01 -7.867097844e-01 4.72 -7.639195394e-01 -7.639195394e-01 4.74 -7.417036193e-01 -7.417036193e-01 4.76 -7.200417734e-01 -7.200417734e-01 4.78 -6.989151588e-01 -6.989151588e-01 4.80 -6.783002960e-01 -6.783002960e-01 4.82 -6.581948566e-01 -6.581948566e-01 4.84 -6.385774909e-01 -6.385774909e-01 4.86 -6.194360521e-01 -6.194360521e-01 4.88 -6.007601987e-01 -6.007601987e-01 4.90 -5.825413609e-01 -5.825413609e-01 4.92 -5.647726359e-01 -5.647726359e-01 4.94 -5.474486008e-01 -5.474486008e-01 4.96 -5.305650402e-01 -5.305650402e-01 4.98 -5.141185934e-01 -5.141185934e-01 5.00 -4.981063355e-01 -4.981063355e-01 5.02 -4.825253184e-01 -4.825253184e-01 5.04 -4.673721041e-01 -4.673721041e-01 5.06 -4.526423263e-01 -4.526423263e-01 5.08 -4.383303200e-01 -4.383303200e-01 5.10 -4.244288470e-01 -4.244288470e-01 5.12 -4.109289441e-01 -4.109289441e-01 5.14 -3.978199022e-01 -3.978199022e-01 5.16 -3.850893772e-01 -3.850893772e-01 5.18 -3.727236218e-01 -3.727236218e-01 5.20 -3.607078195e-01 -3.607078195e-01 5.22 -3.490264964e-01 -3.490264964e-01 5.24 -3.376639871e-01 -3.376639871e-01 5.26 -3.266049289e-01 -3.266049289e-01 5.28 -3.158347603e-01 -3.158347603e-01 5.30 -3.053402011e-01 -3.053402011e-01 5.32 -2.951096909e-01 -2.951096909e-01 5.34 -2.851337636e-01 -2.851337636e-01 5.36 -2.754053322e-01 -2.754053322e-01 5.38 -2.659198606e-01 -2.659198606e-01 5.40 -2.566754001e-01 -2.566754001e-01 5.42 -2.476724714e-01 -2.476724714e-01 5.44 -2.389137863e-01 -2.389137863e-01 5.46 -2.304038117e-01 -2.304038117e-01 5.48 -2.221481998e-01 -2.221481998e-01 5.50 -2.141531189e-01 -2.141531189e-01 5.52 -2.064245404e-01 -2.064245404e-01 5.54 -1.989675400e-01 -1.989675400e-01 5.56 -1.917856738e-01 -1.917856738e-01 5.58 -1.848804801e-01 -1.848804801e-01 5.60 -1.782510130e-01 -1.782510130e-01 5.62 -1.718936884e-01 -1.718936884e-01 5.64 -1.658029151e-01 -1.658029151e-01 5.66 -1.599707261e-01 -1.599707261e-01 5.68 -1.543870475e-01 -1.543870475e-01 5.70 -1.490400779e-01 -1.490400779e-01 5.72 -1.439166990e-01 -1.439166990e-01 5.74 -1.390028837e-01 -1.390028837e-01 5.76 -1.342840733e-01 -1.342840733e-01 5.78 -1.297455051e-01 -1.297455051e-01 5.80 -1.253724836e-01 -1.253724836e-01 5.82 -1.211505926e-01 -1.211505926e-01 5.84 -1.170658515e-01 -1.170658515e-01 5.86 -1.131048251e-01 -1.131048251e-01 5.88 -1.092546947e-01 -1.092546947e-01 5.90 -1.055033023e-01 -1.055033023e-01 5.92 -1.018391756e-01 -1.018391756e-01 5.94 -9.825154475e-02 -9.825154475e-02 5.96 -9.473035836e-02 -9.473035836e-02 5.98 -9.126630449e-02 -9.126630449e-02 6.00 -8.785084293e-02 -8.785084293e-02