# 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 = PbPdTi2 # 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 3.583891178e+02 3.583891178e+02 1.30 3.338642913e+02 3.338642913e+02 1.32 3.110869146e+02 3.110869146e+02 1.34 2.899215280e+02 2.899215280e+02 1.36 2.702419805e+02 2.702419805e+02 1.38 2.519310628e+02 2.519310628e+02 1.40 2.348817837e+02 2.348817837e+02 1.42 2.189979154e+02 2.189979154e+02 1.44 2.041929527e+02 2.041929527e+02 1.46 1.903882768e+02 1.903882768e+02 1.48 1.775115944e+02 1.775115944e+02 1.50 1.654960589e+02 1.654960589e+02 1.52 1.542798022e+02 1.542798022e+02 1.54 1.438055884e+02 1.438055884e+02 1.56 1.340203601e+02 1.340203601e+02 1.58 1.248746954e+02 1.248746954e+02 1.60 1.163224312e+02 1.163224312e+02 1.62 1.083207237e+02 1.083207237e+02 1.64 1.008303285e+02 1.008303285e+02 1.66 9.381574215e+01 9.381574215e+01 1.68 8.724501689e+01 8.724501689e+01 1.70 8.108930475e+01 8.108930475e+01 1.72 7.532220240e+01 7.532220240e+01 1.74 6.991899182e+01 6.991899182e+01 1.76 6.485605128e+01 6.485605128e+01 1.78 6.011071673e+01 6.011071673e+01 1.80 5.566174379e+01 5.566174379e+01 1.82 5.149712229e+01 5.149712229e+01 1.84 4.761184410e+01 4.761184410e+01 1.86 4.398704850e+01 4.398704850e+01 1.88 4.060517838e+01 4.060517838e+01 1.90 3.745008370e+01 3.745008370e+01 1.92 3.450682715e+01 3.450682715e+01 1.94 3.176155921e+01 3.176155921e+01 1.96 2.920138835e+01 2.920138835e+01 1.98 2.681423698e+01 2.681423698e+01 2.00 2.458870886e+01 2.458870886e+01 2.02 2.251401170e+01 2.251401170e+01 2.04 2.057993828e+01 2.057993828e+01 2.06 1.877688894e+01 1.877688894e+01 2.08 1.709591543e+01 1.709591543e+01 2.10 1.552875726e+01 1.552875726e+01 2.12 1.406784939e+01 1.406784939e+01 2.14 1.270627954e+01 1.270627954e+01 2.16 1.143771051e+01 1.143771051e+01 2.18 1.025628962e+01 1.025628962e+01 2.20 9.156562801e+00 9.156562801e+00 2.22 8.133409663e+00 8.133409663e+00 2.24 7.182001739e+00 7.182001739e+00 2.26 6.297785517e+00 6.297785517e+00 2.28 5.476481867e+00 5.476481867e+00 2.30 4.714088274e+00 4.714088274e+00 2.32 4.006864155e+00 4.006864155e+00 2.34 3.351307043e+00 3.351307043e+00 2.36 2.744114733e+00 2.744114733e+00 2.38 2.182156705e+00 2.182156705e+00 2.40 1.662455633e+00 1.662455633e+00 2.42 1.182178472e+00 1.182178472e+00 2.44 7.386323228e-01 7.386323228e-01 2.46 3.292641442e-01 3.292641442e-01 2.48 -4.833673471e-02 -4.833673471e-02 2.50 -3.964322305e-01 -3.964322305e-01 2.52 -7.171258851e-01 -7.171258851e-01 2.54 -1.012352905e+00 -1.012352905e+00 2.56 -1.283874602e+00 -1.283874602e+00 2.58 -1.533281610e+00 -1.533281610e+00 2.60 -1.762007280e+00 -1.762007280e+00 2.62 -1.971348481e+00 -1.971348481e+00 2.64 -2.162492004e+00 -2.162492004e+00 2.66 -2.336550732e+00 -2.336550732e+00 2.68 -2.494643584e+00 -2.494643584e+00 2.70 -2.637664692e+00 -2.637664692e+00 2.72 -2.766449776e+00 -2.766449776e+00 2.74 -2.881813012e+00 -2.881813012e+00 2.76 -2.984544824e+00 -2.984544824e+00 2.78 -3.075409635e+00 -3.075409635e+00 2.80 -3.155145199e+00 -3.155145199e+00 2.82 -3.224462341e+00 -3.224462341e+00 2.84 -3.284011129e+00 -3.284011129e+00 2.86 -3.334544495e+00 -3.334544495e+00 2.88 -3.376519193e+00 -3.376519193e+00 2.90 -3.410280503e+00 -3.410280503e+00 2.92 -3.436215851e+00 -3.436215851e+00 2.94 -3.454744654e+00 -3.454744654e+00 2.96 -3.466308266e+00 -3.466308266e+00 2.98 -3.471361166e+00 -3.471361166e+00 3.00 -3.470364025e+00 -3.470364025e+00 3.02 -3.463787018e+00 -3.463787018e+00 3.04 -3.452127673e+00 -3.452127673e+00 3.06 -3.435872360e+00 -3.435872360e+00 3.08 -3.415473910e+00 -3.415473910e+00 3.10 -3.391348693e+00 -3.391348693e+00 3.12 -3.363871829e+00 -3.363871829e+00 3.14 -3.333380223e+00 -3.333380223e+00 3.16 -3.300172083e+00 -3.300172083e+00 3.18 -3.264515554e+00 -3.264515554e+00 3.20 -3.226653593e+00 -3.226653593e+00 3.22 -3.186808424e+00 -3.186808424e+00 3.24 -3.145184348e+00 -3.145184348e+00 3.26 -3.101969247e+00 -3.101969247e+00 3.28 -3.057335418e+00 -3.057335418e+00 3.30 -3.011440376e+00 -3.011440376e+00 3.32 -2.964427990e+00 -2.964427990e+00 3.34 -2.916430067e+00 -2.916430067e+00 3.36 -2.867593029e+00 -2.867593029e+00 3.38 -2.818029705e+00 -2.818029705e+00 3.40 -2.767820545e+00 -2.767820545e+00 3.42 -2.717049069e+00 -2.717049069e+00 3.44 -2.665802463e+00 -2.665802463e+00 3.46 -2.614173743e+00 -2.614173743e+00 3.48 -2.562262997e+00 -2.562262997e+00 3.50 -2.510178188e+00 -2.510178188e+00 3.52 -2.458034750e+00 -2.458034750e+00 3.54 -2.405951366e+00 -2.405951366e+00 3.56 -2.354042048e+00 -2.354042048e+00 3.58 -2.302418453e+00 -2.302418453e+00 3.60 -2.251185081e+00 -2.251185081e+00 3.62 -2.200433766e+00 -2.200433766e+00 3.64 -2.150239740e+00 -2.150239740e+00 3.66 -2.100659941e+00 -2.100659941e+00 3.68 -2.051733631e+00 -2.051733631e+00 3.70 -2.003484802e+00 -2.003484802e+00 3.72 -1.955925614e+00 -1.955925614e+00 3.74 -1.909060011e+00 -1.909060011e+00 3.76 -1.862886938e+00 -1.862886938e+00 3.78 -1.817402826e+00 -1.817402826e+00 3.80 -1.772603284e+00 -1.772603284e+00 3.82 -1.728484103e+00 -1.728484103e+00 3.84 -1.685041765e+00 -1.685041765e+00 3.86 -1.642273646e+00 -1.642273646e+00 3.88 -1.600178070e+00 -1.600178070e+00 3.90 -1.558754304e+00 -1.558754304e+00 3.92 -1.518002208e+00 -1.518002208e+00 3.94 -1.477923808e+00 -1.477923808e+00 3.96 -1.438520991e+00 -1.438520991e+00 3.98 -1.399797342e+00 -1.399797342e+00 4.00 -1.361757873e+00 -1.361757873e+00 4.02 -1.324409199e+00 -1.324409199e+00 4.04 -1.287759656e+00 -1.287759656e+00 4.06 -1.251819315e+00 -1.251819315e+00 4.08 -1.216599807e+00 -1.216599807e+00 4.10 -1.182112669e+00 -1.182112669e+00 4.12 -1.148373917e+00 -1.148373917e+00 4.14 -1.115394908e+00 -1.115394908e+00 4.16 -1.083187054e+00 -1.083187054e+00 4.18 -1.051759161e+00 -1.051759161e+00 4.20 -1.021116389e+00 -1.021116389e+00 4.22 -9.912594153e-01 -9.912594153e-01 4.24 -9.621839322e-01 -9.621839322e-01 4.26 -9.338805072e-01 -9.338805072e-01 4.28 -9.063348170e-01 -9.063348170e-01 4.30 -8.795281923e-01 -8.795281923e-01 4.32 -8.534383861e-01 -8.534383861e-01 4.34 -8.280404605e-01 -8.280404605e-01 4.36 -8.033076957e-01 -8.033076957e-01 4.38 -7.792124420e-01 -7.792124420e-01 4.40 -7.557268626e-01 -7.557268626e-01 4.42 -7.328235403e-01 -7.328235403e-01 4.44 -7.104759462e-01 -7.104759462e-01 4.46 -6.886587819e-01 -6.886587819e-01 4.48 -6.673482242e-01 -6.673482242e-01 4.50 -6.465220980e-01 -6.465220980e-01 4.52 -6.261600108e-01 -6.261600108e-01 4.54 -6.062434740e-01 -6.062434740e-01 4.56 -5.867560277e-01 -5.867560277e-01 4.58 -5.676833802e-01 -5.676833802e-01 4.60 -5.490135584e-01 -5.490135584e-01 4.62 -5.307370569e-01 -5.307370569e-01 4.64 -5.128469626e-01 -5.128469626e-01 4.66 -4.953390249e-01 -4.953390249e-01 4.68 -4.782116385e-01 -4.782116385e-01 4.70 -4.614657083e-01 -4.614657083e-01 4.72 -4.451043753e-01 -4.451043753e-01 4.74 -4.291325998e-01 -4.291325998e-01 4.76 -4.135566150e-01 -4.135566150e-01 4.78 -3.983832910e-01 -3.983832910e-01 4.80 -3.836186675e-01 -3.836186675e-01 4.82 -3.692706345e-01 -3.692706345e-01 4.84 -3.553432214e-01 -3.553432214e-01 4.86 -3.418398419e-01 -3.418398419e-01 4.88 -3.287621765e-01 -3.287621765e-01 4.90 -3.161102009e-01 -3.161102009e-01 4.92 -3.038823829e-01 -3.038823829e-01 4.94 -2.920759887e-01 -2.920759887e-01 4.96 -2.806874243e-01 -2.806874243e-01 4.98 -2.697125349e-01 -2.697125349e-01 5.00 -2.591467993e-01 -2.591467993e-01 5.02 -2.489853794e-01 -2.489853794e-01 5.04 -2.392230222e-01 -2.392230222e-01 5.06 -2.298538389e-01 -2.298538389e-01 5.08 -2.208710166e-01 -2.208710166e-01 5.10 -2.122665269e-01 -2.122665269e-01 5.12 -2.040308951e-01 -2.040308951e-01 5.14 -1.961530782e-01 -1.961530782e-01 5.16 -1.886204755e-01 -1.886204755e-01 5.18 -1.814190683e-01 -1.814190683e-01 5.20 -1.745336649e-01 -1.745336649e-01 5.22 -1.679482125e-01 -1.679482125e-01 5.24 -1.616461333e-01 -1.616461333e-01 5.26 -1.556106447e-01 -1.556106447e-01 5.28 -1.498250365e-01 -1.498250365e-01 5.30 -1.442728873e-01 -1.442728873e-01 5.32 -1.389382140e-01 -1.389382140e-01 5.34 -1.338055626e-01 -1.338055626e-01 5.36 -1.288600480e-01 -1.288600480e-01 5.38 -1.240873617e-01 -1.240873617e-01 5.40 -1.194737595e-01 -1.194737595e-01 5.42 -1.150060468e-01 -1.150060468e-01 5.44 -1.106715702e-01 -1.106715702e-01 5.46 -1.064582255e-01 -1.064582255e-01 5.48 -1.023544877e-01 -1.023544877e-01 5.50 -9.834946422e-02 -9.834946422e-02 5.52 -9.443297413e-02 -9.443297413e-02 5.54 -9.059565047e-02 -9.059565047e-02 5.56 -8.682906388e-02 -8.682906388e-02 5.58 -8.312586270e-02 -8.312586270e-02 5.60 -7.947992317e-02 -7.947992317e-02 5.62 -7.588650135e-02 -7.588650135e-02 5.64 -7.234237506e-02 -7.234237506e-02 5.66 -6.884596412e-02 -6.884596412e-02 5.68 -6.539740992e-02 -6.539740992e-02 5.70 -6.199860220e-02 -6.199860220e-02 5.72 -5.865313897e-02 -5.865313897e-02 5.74 -5.536620500e-02 -5.536620500e-02 5.76 -5.214436415e-02 -5.214436415e-02 5.78 -4.899526845e-02 -4.899526845e-02 5.80 -4.592729541e-02 -4.592729541e-02 5.82 -4.294913186e-02 -4.294913186e-02 5.84 -4.006933372e-02 -4.006933372e-02 5.86 -3.729589799e-02 -3.729589799e-02 5.88 -3.463587897e-02 -3.463587897e-02 5.90 -3.209507839e-02 -3.209507839e-02 5.92 -2.967766416e-02 -2.967766416e-02 5.94 -2.738595668e-02 -2.738595668e-02 5.96 -2.522132674e-02 -2.522132674e-02 5.98 -2.318370994e-02 -2.318370994e-02 6.00 -2.127163615e-02 -2.127163615e-02