# 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 = AlCu2Mg # 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 1.438421939e+02 1.438421939e+02 1.30 1.330261997e+02 1.330261997e+02 1.32 1.230260453e+02 1.230260453e+02 1.34 1.137745613e+02 1.137745613e+02 1.36 1.052119763e+02 1.052119763e+02 1.38 9.728570549e+01 9.728570549e+01 1.40 8.994856163e+01 8.994856163e+01 1.42 8.315663449e+01 8.315663449e+01 1.44 7.686760230e+01 7.686760230e+01 1.46 7.104011677e+01 7.104011677e+01 1.48 6.563466185e+01 6.563466185e+01 1.50 6.061526803e+01 6.061526803e+01 1.52 5.595069040e+01 5.595069040e+01 1.54 5.161419017e+01 5.161419017e+01 1.56 4.758216856e+01 4.758216856e+01 1.58 4.383495218e+01 4.383495218e+01 1.60 4.035337443e+01 4.035337443e+01 1.62 3.711912869e+01 3.711912869e+01 1.64 3.411536567e+01 3.411536567e+01 1.66 3.132642466e+01 3.132642466e+01 1.68 2.873755088e+01 2.873755088e+01 1.70 2.633477891e+01 2.633477891e+01 1.72 2.410493582e+01 2.410493582e+01 1.74 2.203564315e+01 2.203564315e+01 1.76 2.011530019e+01 2.011530019e+01 1.78 1.833310708e+01 1.833310708e+01 1.80 1.667913086e+01 1.667913086e+01 1.82 1.514435316e+01 1.514435316e+01 1.84 1.372062037e+01 1.372062037e+01 1.86 1.240049013e+01 1.240049013e+01 1.88 1.117701489e+01 1.117701489e+01 1.90 1.004353764e+01 1.004353764e+01 1.92 8.993558524e+00 8.993558524e+00 1.94 8.020719670e+00 8.020719670e+00 1.96 7.118910218e+00 7.118910218e+00 1.98 6.282446569e+00 6.282446569e+00 2.00 5.506239471e+00 5.506239471e+00 2.02 4.785874784e+00 4.785874784e+00 2.04 4.117584318e+00 4.117584318e+00 2.06 3.498127430e+00 3.498127430e+00 2.08 2.924630947e+00 2.924630947e+00 2.10 2.394439241e+00 2.394439241e+00 2.12 1.905009473e+00 1.905009473e+00 2.14 1.453858020e+00 1.453858020e+00 2.16 1.038547161e+00 1.038547161e+00 2.18 6.566923877e-01 6.566923877e-01 2.20 3.059787613e-01 3.059787613e-01 2.22 -1.582237655e-02 -1.582237655e-02 2.24 -3.108374664e-01 -3.108374664e-01 2.26 -5.810794565e-01 -5.810794565e-01 2.28 -8.284441813e-01 -8.284441813e-01 2.30 -1.054710604e+00 -1.054710604e+00 2.32 -1.261540567e+00 -1.261540567e+00 2.34 -1.450464639e+00 -1.450464639e+00 2.36 -1.622861005e+00 -1.622861005e+00 2.38 -1.779935472e+00 -1.779935472e+00 2.40 -1.922719776e+00 -1.922719776e+00 2.42 -2.052095213e+00 -2.052095213e+00 2.44 -2.168834576e+00 -2.168834576e+00 2.46 -2.273650098e+00 -2.273650098e+00 2.48 -2.367232946e+00 -2.367232946e+00 2.50 -2.450305973e+00 -2.450305973e+00 2.52 -2.524482796e+00 -2.524482796e+00 2.54 -2.590586015e+00 -2.590586015e+00 2.56 -2.648627258e+00 -2.648627258e+00 2.58 -2.698748640e+00 -2.698748640e+00 2.60 -2.741204415e+00 -2.741204415e+00 2.62 -2.776339896e+00 -2.776339896e+00 2.64 -2.804568846e+00 -2.804568846e+00 2.66 -2.826347106e+00 -2.826347106e+00 2.68 -2.842171316e+00 -2.842171316e+00 2.70 -2.852592973e+00 -2.852592973e+00 2.72 -2.858137975e+00 -2.858137975e+00 2.74 -2.859283422e+00 -2.859283422e+00 2.76 -2.856449926e+00 -2.856449926e+00 2.78 -2.849995068e+00 -2.849995068e+00 2.80 -2.840210891e+00 -2.840210891e+00 2.82 -2.827325776e+00 -2.827325776e+00 2.84 -2.811513996e+00 -2.811513996e+00 2.86 -2.792909231e+00 -2.792909231e+00 2.88 -2.771620318e+00 -2.771620318e+00 2.90 -2.747746545e+00 -2.747746545e+00 2.92 -2.721390984e+00 -2.721390984e+00 2.94 -2.692671307e+00 -2.692671307e+00 2.96 -2.661728192e+00 -2.661728192e+00 2.98 -2.628731434e+00 -2.628731434e+00 3.00 -2.593883496e+00 -2.593883496e+00 3.02 -2.557419721e+00 -2.557419721e+00 3.04 -2.519604022e+00 -2.519604022e+00 3.06 -2.480720566e+00 -2.480720566e+00 3.08 -2.441058854e+00 -2.441058854e+00 3.10 -2.400898190e+00 -2.400898190e+00 3.12 -2.360490906e+00 -2.360490906e+00 3.14 -2.320050291e+00 -2.320050291e+00 3.16 -2.279754766e+00 -2.279754766e+00 3.18 -2.239716007e+00 -2.239716007e+00 3.20 -2.199991400e+00 -2.199991400e+00 3.22 -2.160602534e+00 -2.160602534e+00 3.24 -2.121544202e+00 -2.121544202e+00 3.26 -2.082793661e+00 -2.082793661e+00 3.28 -2.044319019e+00 -2.044319019e+00 3.30 -2.006086062e+00 -2.006086062e+00 3.32 -1.968063306e+00 -1.968063306e+00 3.34 -1.930222957e+00 -1.930222957e+00 3.36 -1.892530021e+00 -1.892530021e+00 3.38 -1.854954527e+00 -1.854954527e+00 3.40 -1.817479420e+00 -1.817479420e+00 3.42 -1.780099473e+00 -1.780099473e+00 3.44 -1.742819479e+00 -1.742819479e+00 3.46 -1.705652585e+00 -1.705652585e+00 3.48 -1.668618226e+00 -1.668618226e+00 3.50 -1.631740048e+00 -1.631740048e+00 3.52 -1.595043912e+00 -1.595043912e+00 3.54 -1.558556128e+00 -1.558556128e+00 3.56 -1.522302006e+00 -1.522302006e+00 3.58 -1.486304832e+00 -1.486304832e+00 3.60 -1.450585286e+00 -1.450585286e+00 3.62 -1.415161342e+00 -1.415161342e+00 3.64 -1.380048616e+00 -1.380048616e+00 3.66 -1.345261139e+00 -1.345261139e+00 3.68 -1.310812500e+00 -1.310812500e+00 3.70 -1.276717244e+00 -1.276717244e+00 3.72 -1.242992408e+00 -1.242992408e+00 3.74 -1.209658991e+00 -1.209658991e+00 3.76 -1.176743130e+00 -1.176743130e+00 3.78 -1.144276734e+00 -1.144276734e+00 3.80 -1.112297312e+00 -1.112297312e+00 3.82 -1.080846855e+00 -1.080846855e+00 3.84 -1.049969718e+00 -1.049969718e+00 3.86 -1.019709662e+00 -1.019709662e+00 3.88 -9.901063878e-01 -9.901063878e-01 3.90 -9.611920147e-01 -9.611920147e-01 3.92 -9.329879167e-01 -9.329879167e-01 3.94 -9.055029895e-01 -9.055029895e-01 3.96 -8.787319126e-01 -8.787319126e-01 3.98 -8.526558014e-01 -8.526558014e-01 4.00 -8.272432669e-01 -8.272432669e-01 4.02 -8.024523704e-01 -8.024523704e-01 4.04 -7.782330202e-01 -7.782330202e-01 4.06 -7.545295229e-01 -7.545295229e-01 4.08 -7.312830818e-01 -7.312830818e-01 4.10 -7.084338598e-01 -7.084338598e-01 4.12 -6.859242375e-01 -6.859242375e-01 4.14 -6.636989909e-01 -6.636989909e-01 4.16 -6.417083800e-01 -6.417083800e-01 4.18 -6.199095596e-01 -6.199095596e-01 4.20 -5.982682583e-01 -5.982682583e-01 4.22 -5.767603613e-01 -5.767603613e-01 4.24 -5.553733290e-01 -5.553733290e-01 4.26 -5.341073357e-01 -5.341073357e-01 4.28 -5.129759972e-01 -5.129759972e-01 4.30 -4.920065456e-01 -4.920065456e-01 4.32 -4.712393405e-01 -4.712393405e-01 4.34 -4.507266474e-01 -4.507266474e-01 4.36 -4.305306792e-01 -4.305306792e-01 4.38 -4.107209638e-01 -4.107209638e-01 4.40 -3.913711642e-01 -3.913711642e-01 4.42 -3.725555331e-01 -3.725555331e-01 4.44 -3.543452208e-01 -3.543452208e-01 4.46 -3.368046854e-01 -3.368046854e-01 4.48 -3.199884581e-01 -3.199884581e-01 4.50 -3.039385028e-01 -3.039385028e-01 4.52 -2.886823657e-01 -2.886823657e-01 4.54 -2.742322397e-01 -2.742322397e-01 4.56 -2.605849776e-01 -2.605849776e-01 4.58 -2.477229886e-01 -2.477229886e-01 4.60 -2.356158726e-01 -2.356158726e-01 4.62 -2.242225855e-01 -2.242225855e-01 4.64 -2.134939087e-01 -2.134939087e-01 4.66 -2.033750056e-01 -2.033750056e-01 4.68 -1.938079026e-01 -1.938079026e-01 4.70 -1.847337183e-01 -1.847337183e-01 4.72 -1.760946398e-01 -1.760946398e-01 4.74 -1.678355857e-01 -1.678355857e-01 4.76 -1.599051947e-01 -1.599051947e-01 4.78 -1.522567944e-01 -1.522567944e-01 4.80 -1.448511507e-01 -1.448511507e-01 4.82 -1.376558495e-01 -1.376558495e-01 4.84 -1.306443649e-01 -1.306443649e-01 4.86 -1.237973934e-01 -1.237973934e-01 4.88 -1.171026826e-01 -1.171026826e-01 4.90 -1.105548504e-01 -1.105548504e-01 4.92 -1.041549427e-01 -1.041549427e-01 4.94 -9.790968498e-02 -9.790968498e-02 4.96 -9.183059994e-02 -9.183059994e-02 4.98 -8.593286673e-02 -8.593286673e-02 5.00 -8.023395293e-02 -8.023395293e-02 5.02 -7.475222917e-02 -7.475222917e-02 5.04 -6.950560303e-02 -6.950560303e-02 5.06 -6.451026873e-02 -6.451026873e-02 5.08 -5.977965941e-02 -5.977965941e-02 5.10 -5.532366646e-02 -5.532366646e-02 5.12 -5.114816146e-02 -5.114816146e-02 5.14 -4.725482352e-02 -4.725482352e-02 5.16 -4.364124596e-02 -4.364124596e-02 5.18 -4.030127356e-02 -4.030127356e-02 5.20 -3.722550873e-02 -3.722550873e-02 5.22 -3.440192104e-02 -3.440192104e-02 5.24 -3.181649906e-02 -3.181649906e-02 5.26 -2.945389291e-02 -2.945389291e-02 5.28 -2.729800908e-02 -2.729800908e-02 5.30 -2.533253175e-02 -2.533253175e-02 5.32 -2.354135579e-02 -2.354135579e-02 5.34 -2.190892928e-02 -2.190892928e-02 5.36 -2.042050698e-02 -2.042050698e-02 5.38 -1.906232240e-02 -1.906232240e-02 5.40 -1.782168873e-02 -1.782168873e-02 5.42 -1.668704008e-02 -1.668704008e-02 5.44 -1.564792438e-02 -1.564792438e-02 5.46 -1.469495913e-02 -1.469495913e-02 5.48 -1.381976034e-02 -1.381976034e-02 5.50 -1.301480262e-02 -1.301480262e-02 5.52 -1.227340682e-02 -1.227340682e-02 5.54 -1.158965610e-02 -1.158965610e-02 5.56 -1.095824512e-02 -1.095824512e-02 5.58 -1.037439676e-02 -1.037439676e-02 5.60 -9.833789128e-03 -9.833789128e-03 5.62 -9.332494196e-03 -9.332494196e-03 5.64 -8.866927827e-03 -8.866927827e-03 5.66 -8.433810230e-03 -8.433810230e-03 5.68 -8.030135041e-03 -8.030135041e-03 5.70 -7.653145083e-03 -7.653145083e-03 5.72 -7.300312884e-03 -7.300312884e-03 5.74 -6.969324324e-03 -6.969324324e-03 5.76 -6.658064145e-03 -6.658064145e-03 5.78 -6.364602462e-03 -6.364602462e-03 5.80 -6.087181766e-03 -6.087181766e-03 5.82 -5.824204206e-03 -5.824204206e-03 5.84 -5.574219141e-03 -5.574219141e-03 5.86 -5.335911072e-03 -5.335911072e-03 5.88 -5.108088158e-03 -5.108088158e-03 5.90 -4.889671508e-03 -4.889671508e-03 5.92 -4.679685451e-03 -4.679685451e-03 5.94 -4.477248960e-03 -4.477248960e-03 5.96 -4.281568347e-03 -4.281568347e-03 5.98 -4.091931332e-03 -4.091931332e-03 6.00 -3.907702499e-03 -3.907702499e-03