# 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 = Al2PbPd # 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 2.049666797e+02 2.049666797e+02 1.30 1.912253858e+02 1.912253858e+02 1.32 1.784302330e+02 1.784302330e+02 1.34 1.665076353e+02 1.665076353e+02 1.36 1.553900936e+02 1.553900936e+02 1.38 1.450144704e+02 1.450144704e+02 1.40 1.353220158e+02 1.353220158e+02 1.42 1.262594544e+02 1.262594544e+02 1.44 1.177800472e+02 1.177800472e+02 1.46 1.098439203e+02 1.098439203e+02 1.48 1.024169403e+02 1.024169403e+02 1.50 9.546813247e+01 9.546813247e+01 1.52 8.896708945e+01 8.896708945e+01 1.54 8.288296234e+01 8.288296234e+01 1.56 7.718500999e+01 7.718500999e+01 1.58 7.184369830e+01 7.184369830e+01 1.60 6.683162203e+01 6.683162203e+01 1.62 6.212416486e+01 6.212416486e+01 1.64 5.770383090e+01 5.770383090e+01 1.66 5.357131257e+01 5.357131257e+01 1.68 4.971161499e+01 4.971161499e+01 1.70 4.611073795e+01 4.611073795e+01 1.72 4.275307169e+01 4.275307169e+01 1.74 3.962189686e+01 3.962189686e+01 1.76 3.670067280e+01 3.670067280e+01 1.78 3.397353287e+01 3.397353287e+01 1.80 3.142574421e+01 3.142574421e+01 1.82 2.904397964e+01 2.904397964e+01 1.84 2.681637058e+01 2.681637058e+01 1.86 2.473236693e+01 2.473236693e+01 1.88 2.278249698e+01 2.278249698e+01 1.90 2.095812203e+01 2.095812203e+01 1.92 1.925127248e+01 1.925127248e+01 1.94 1.765459514e+01 1.765459514e+01 1.96 1.616135364e+01 1.616135364e+01 1.98 1.476540843e+01 1.476540843e+01 2.00 1.346111910e+01 1.346111910e+01 2.02 1.224318804e+01 1.224318804e+01 2.04 1.110651218e+01 1.110651218e+01 2.06 1.004610427e+01 1.004610427e+01 2.08 9.057092912e+00 9.057092912e+00 2.10 8.134767946e+00 8.134767946e+00 2.12 7.274635489e+00 7.274635489e+00 2.14 6.472458522e+00 6.472458522e+00 2.16 5.724281595e+00 5.724281595e+00 2.18 5.026443805e+00 5.026443805e+00 2.20 4.375582226e+00 4.375582226e+00 2.22 3.768629892e+00 3.768629892e+00 2.24 3.202804091e+00 3.202804091e+00 2.26 2.675585687e+00 2.675585687e+00 2.28 2.184689967e+00 2.184689967e+00 2.30 1.728036962e+00 1.728036962e+00 2.32 1.303717443e+00 1.303717443e+00 2.34 9.099668067e-01 9.099668067e-01 2.36 5.451367499e-01 5.451367499e-01 2.38 2.076717035e-01 2.076717035e-01 2.40 -1.039132365e-01 -1.039132365e-01 2.42 -3.910518229e-01 -3.910518229e-01 2.44 -6.551427946e-01 -6.551427946e-01 2.46 -8.975601492e-01 -8.975601492e-01 2.48 -1.119656166e+00 -1.119656166e+00 2.50 -1.322756630e+00 -1.322756630e+00 2.52 -1.508150925e+00 -1.508150925e+00 2.54 -1.677082545e+00 -1.677082545e+00 2.56 -1.830745698e+00 -1.830745698e+00 2.58 -1.970289535e+00 -1.970289535e+00 2.60 -2.096825133e+00 -2.096825133e+00 2.62 -2.211426065e+00 -2.211426065e+00 2.64 -2.315118355e+00 -2.315118355e+00 2.66 -2.408873526e+00 -2.408873526e+00 2.68 -2.493834443e+00 -2.493834443e+00 2.70 -2.570696466e+00 -2.570696466e+00 2.72 -2.639929122e+00 -2.639929122e+00 2.74 -2.701998602e+00 -2.701998602e+00 2.76 -2.758252913e+00 -2.758252913e+00 2.78 -2.808977799e+00 -2.808977799e+00 2.80 -2.854052121e+00 -2.854052121e+00 2.82 -2.893404968e+00 -2.893404968e+00 2.84 -2.927015501e+00 -2.927015501e+00 2.86 -2.954925793e+00 -2.954925793e+00 2.88 -2.977238084e+00 -2.977238084e+00 2.90 -2.994090522e+00 -2.994090522e+00 2.92 -3.005653685e+00 -3.005653685e+00 2.94 -3.012137451e+00 -3.012137451e+00 2.96 -3.013797727e+00 -3.013797727e+00 2.98 -3.010915408e+00 -3.010915408e+00 3.00 -3.003795464e+00 -3.003795464e+00 3.02 -2.992768810e+00 -2.992768810e+00 3.04 -2.978191802e+00 -2.978191802e+00 3.06 -2.960444998e+00 -2.960444998e+00 3.08 -2.939919205e+00 -2.939919205e+00 3.10 -2.917004100e+00 -2.917004100e+00 3.12 -2.892070048e+00 -2.892070048e+00 3.14 -2.865454822e+00 -2.865454822e+00 3.16 -2.837449186e+00 -2.837449186e+00 3.18 -2.808294398e+00 -2.808294398e+00 3.20 -2.778182283e+00 -2.778182283e+00 3.22 -2.747260421e+00 -2.747260421e+00 3.24 -2.715659327e+00 -2.715659327e+00 3.26 -2.683456098e+00 -2.683456098e+00 3.28 -2.650690491e+00 -2.650690491e+00 3.30 -2.617389553e+00 -2.617389553e+00 3.32 -2.583572858e+00 -2.583572858e+00 3.34 -2.549256902e+00 -2.549256902e+00 3.36 -2.514458644e+00 -2.514458644e+00 3.38 -2.479198172e+00 -2.479198172e+00 3.40 -2.443500400e+00 -2.443500400e+00 3.42 -2.407396601e+00 -2.407396601e+00 3.44 -2.370923547e+00 -2.370923547e+00 3.46 -2.334120923e+00 -2.334120923e+00 3.48 -2.297031196e+00 -2.297031196e+00 3.50 -2.259701666e+00 -2.259701666e+00 3.52 -2.222182970e+00 -2.222182970e+00 3.54 -2.184527524e+00 -2.184527524e+00 3.56 -2.146788057e+00 -2.146788057e+00 3.58 -2.109016298e+00 -2.109016298e+00 3.60 -2.071261908e+00 -2.071261908e+00 3.62 -2.033571644e+00 -2.033571644e+00 3.64 -1.995988772e+00 -1.995988772e+00 3.66 -1.958552672e+00 -1.958552672e+00 3.68 -1.921298571e+00 -1.921298571e+00 3.70 -1.884257344e+00 -1.884257344e+00 3.72 -1.847455334e+00 -1.847455334e+00 3.74 -1.810914138e+00 -1.810914138e+00 3.76 -1.774650400e+00 -1.774650400e+00 3.78 -1.738675631e+00 -1.738675631e+00 3.80 -1.702996137e+00 -1.702996137e+00 3.82 -1.667613127e+00 -1.667613127e+00 3.84 -1.632523057e+00 -1.632523057e+00 3.86 -1.597718207e+00 -1.597718207e+00 3.88 -1.563187492e+00 -1.563187492e+00 3.90 -1.528917405e+00 -1.528917405e+00 3.92 -1.494892729e+00 -1.494892729e+00 3.94 -1.461098921e+00 -1.461098921e+00 3.96 -1.427520931e+00 -1.427520931e+00 3.98 -1.394145570e+00 -1.394145570e+00 4.00 -1.360961860e+00 -1.360961860e+00 4.02 -1.327961654e+00 -1.327961654e+00 4.04 -1.295140152e+00 -1.295140152e+00 4.06 -1.262496305e+00 -1.262496305e+00 4.08 -1.230033136e+00 -1.230033136e+00 4.10 -1.197756929e+00 -1.197756929e+00 4.12 -1.165681798e+00 -1.165681798e+00 4.14 -1.133822955e+00 -1.133822955e+00 4.16 -1.102201712e+00 -1.102201712e+00 4.18 -1.070844402e+00 -1.070844402e+00 4.20 -1.039782593e+00 -1.039782593e+00 4.22 -1.009053266e+00 -1.009053266e+00 4.24 -9.786988237e-01 -9.786988237e-01 4.26 -9.487667727e-01 -9.487667727e-01 4.28 -9.193089023e-01 -9.193089023e-01 4.30 -8.903798303e-01 -8.903798303e-01 4.32 -8.620348845e-01 -8.620348845e-01 4.34 -8.343274228e-01 -8.343274228e-01 4.36 -8.073058264e-01 -8.073058264e-01 4.38 -7.810105010e-01 -7.810105010e-01 4.40 -7.554712523e-01 -7.554712523e-01 4.42 -7.307053541e-01 -7.307053541e-01 4.44 -7.067165228e-01 -7.067165228e-01 4.46 -6.834948678e-01 -6.834948678e-01 4.48 -6.610177498e-01 -6.610177498e-01 4.50 -6.392513705e-01 -6.392513705e-01 4.52 -6.181528609e-01 -6.181528609e-01 4.54 -5.976726223e-01 -5.976726223e-01 4.56 -5.777567082e-01 -5.777567082e-01 4.58 -5.583490790e-01 -5.583490790e-01 4.60 -5.393936254e-01 -5.393936254e-01 4.62 -5.208359009e-01 -5.208359009e-01 4.64 -5.026245489e-01 -5.026245489e-01 4.66 -4.847124337e-01 -4.847124337e-01 4.68 -4.670575006e-01 -4.670575006e-01 4.70 -4.496234012e-01 -4.496234012e-01 4.72 -4.323799216e-01 -4.323799216e-01 4.74 -4.153032589e-01 -4.153032589e-01 4.76 -3.983761890e-01 -3.983761890e-01 4.78 -3.815881741e-01 -3.815881741e-01 4.80 -3.649347348e-01 -3.649347348e-01 4.82 -3.484205110e-01 -3.484205110e-01 4.84 -3.320547313e-01 -3.320547313e-01 4.86 -3.158545321e-01 -3.158545321e-01 4.88 -2.998441329e-01 -2.998441329e-01 4.90 -2.840546986e-01 -2.840546986e-01 4.92 -2.685239443e-01 -2.685239443e-01 4.94 -2.532953855e-01 -2.532953855e-01 4.96 -2.384171703e-01 -2.384171703e-01 4.98 -2.239404808e-01 -2.239404808e-01 5.00 -2.099175573e-01 -2.099175573e-01 5.02 -1.963994656e-01 -1.963994656e-01 5.04 -1.834337815e-01 -1.834337815e-01 5.06 -1.710623929e-01 -1.710623929e-01 5.08 -1.593196188e-01 -1.593196188e-01 5.10 -1.482308060e-01 -1.482308060e-01 5.12 -1.378115063e-01 -1.378115063e-01 5.14 -1.280672667e-01 -1.280672667e-01 5.16 -1.189939955e-01 -1.189939955e-01 5.18 -1.105788102e-01 -1.105788102e-01 5.20 -1.028012409e-01 -1.028012409e-01 5.22 -9.563464351e-02 -9.563464351e-02 5.24 -8.904768413e-02 -8.904768413e-02 5.26 -8.300579584e-02 -8.300579584e-02 5.28 -7.747250734e-02 -7.747250734e-02 5.30 -7.241057680e-02 -7.241057680e-02 5.32 -6.778293099e-02 -6.778293099e-02 5.34 -6.355339438e-02 -6.355339438e-02 5.36 -5.968722045e-02 -5.968722045e-02 5.38 -5.615090064e-02 -5.615090064e-02 5.40 -5.291360790e-02 -5.291360790e-02 5.42 -4.994696205e-02 -4.994696205e-02 5.44 -4.722452052e-02 -4.722452052e-02 5.46 -4.472176630e-02 -4.472176630e-02 5.48 -4.241631023e-02 -4.241631023e-02 5.50 -4.028770756e-02 -4.028770756e-02 5.52 -3.831733199e-02 -3.831733199e-02 5.54 -3.648827704e-02 -3.648827704e-02 5.56 -3.478524531e-02 -3.478524531e-02 5.58 -3.319443232e-02 -3.319443232e-02 5.60 -3.170340965e-02 -3.170340965e-02 5.62 -3.030101070e-02 -3.030101070e-02 5.64 -2.897721986e-02 -2.897721986e-02 5.66 -2.772306994e-02 -2.772306994e-02 5.68 -2.653054668e-02 -2.653054668e-02 5.70 -2.539250144e-02 -2.539250144e-02 5.72 -2.430257294e-02 -2.430257294e-02 5.74 -2.325511811e-02 -2.325511811e-02 5.76 -2.224515215e-02 -2.224515215e-02 5.78 -2.126829758e-02 -2.126829758e-02 5.80 -2.032074172e-02 -2.032074172e-02 5.82 -1.939920198e-02 -1.939920198e-02 5.84 -1.850089797e-02 -1.850089797e-02 5.86 -1.762352920e-02 -1.762352920e-02 5.88 -1.676525707e-02 -1.676525707e-02 5.90 -1.592468923e-02 -1.592468923e-02 5.92 -1.510086483e-02 -1.510086483e-02 5.94 -1.429322189e-02 -1.429322189e-02 5.96 -1.350151413e-02 -1.350151413e-02 5.98 -1.272597118e-02 -1.272597118e-02 6.00 -1.196718281e-02 -1.196718281e-02