# 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 = AuCoTi2 # 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 2.605697002e+02 2.605697002e+02 1.30 2.411328140e+02 2.411328140e+02 1.32 2.231603323e+02 2.231603323e+02 1.34 2.065337998e+02 2.065337998e+02 1.36 1.911439916e+02 1.911439916e+02 1.38 1.768910474e+02 1.768910474e+02 1.40 1.636846175e+02 1.636846175e+02 1.42 1.514431011e+02 1.514431011e+02 1.44 1.400922146e+02 1.400922146e+02 1.46 1.295635886e+02 1.295635886e+02 1.48 1.197939838e+02 1.197939838e+02 1.50 1.107252167e+02 1.107252167e+02 1.52 1.023042048e+02 1.023042048e+02 1.54 9.448262905e+01 9.448262905e+01 1.56 8.721629071e+01 8.721629071e+01 1.58 8.046440635e+01 8.046440635e+01 1.60 7.418905071e+01 7.418905071e+01 1.62 6.835487555e+01 6.835487555e+01 1.64 6.292902738e+01 6.292902738e+01 1.66 5.788109159e+01 5.788109159e+01 1.68 5.318304361e+01 5.318304361e+01 1.70 4.880925291e+01 4.880925291e+01 1.72 4.473643961e+01 4.473643961e+01 1.74 4.094343706e+01 4.094343706e+01 1.76 3.741080503e+01 3.741080503e+01 1.78 3.412049927e+01 3.412049927e+01 1.80 3.106139645e+01 3.106139645e+01 1.82 2.822521920e+01 2.822521920e+01 1.84 2.559659626e+01 2.559659626e+01 1.86 2.316080655e+01 2.316080655e+01 1.88 2.090430864e+01 2.090430864e+01 1.90 1.881464771e+01 1.881464771e+01 1.92 1.688031954e+01 1.688031954e+01 1.94 1.509060138e+01 1.509060138e+01 1.96 1.343538798e+01 1.343538798e+01 1.98 1.190508984e+01 1.190508984e+01 2.00 1.049062372e+01 1.049062372e+01 2.02 9.183462461e+00 9.183462461e+00 2.04 7.975682518e+00 7.975682518e+00 2.06 6.859976219e+00 6.859976219e+00 2.08 5.829637361e+00 5.829637361e+00 2.10 4.878536603e+00 4.878536603e+00 2.12 4.001084729e+00 4.001084729e+00 2.14 3.192177297e+00 3.192177297e+00 2.16 2.447124850e+00 2.447124850e+00 2.18 1.761582039e+00 1.761582039e+00 2.20 1.131486921e+00 1.131486921e+00 2.22 5.530143624e-01 5.530143624e-01 2.24 2.254675727e-02 2.254675727e-02 2.26 -4.633360429e-01 -4.633360429e-01 2.28 -9.078504416e-01 -9.078504416e-01 2.30 -1.313995531e+00 -1.313995531e+00 2.32 -1.684545997e+00 -1.684545997e+00 2.34 -2.022056276e+00 -2.022056276e+00 2.36 -2.328874803e+00 -2.328874803e+00 2.38 -2.607162879e+00 -2.607162879e+00 2.40 -2.858915265e+00 -2.858915265e+00 2.42 -3.085981506e+00 -3.085981506e+00 2.44 -3.290086776e+00 -3.290086776e+00 2.46 -3.472851479e+00 -3.472851479e+00 2.48 -3.635807834e+00 -3.635807834e+00 2.50 -3.780412431e+00 -3.780412431e+00 2.52 -3.908054014e+00 -3.908054014e+00 2.54 -4.020056639e+00 -4.020056639e+00 2.56 -4.117679082e+00 -4.117679082e+00 2.58 -4.202111236e+00 -4.202111236e+00 2.60 -4.274467680e+00 -4.274467680e+00 2.62 -4.335782794e+00 -4.335782794e+00 2.64 -4.387104116e+00 -4.387104116e+00 2.66 -4.429208936e+00 -4.429208936e+00 2.68 -4.462728175e+00 -4.462728175e+00 2.70 -4.488268393e+00 -4.488268393e+00 2.72 -4.506321202e+00 -4.506321202e+00 2.74 -4.517336949e+00 -4.517336949e+00 2.76 -4.521746000e+00 -4.521746000e+00 2.78 -4.519955845e+00 -4.519955845e+00 2.80 -4.512217961e+00 -4.512217961e+00 2.82 -4.498698037e+00 -4.498698037e+00 2.84 -4.479646366e+00 -4.479646366e+00 2.86 -4.455222784e+00 -4.455222784e+00 2.88 -4.425573137e+00 -4.425573137e+00 2.90 -4.390882786e+00 -4.390882786e+00 2.92 -4.351382668e+00 -4.351382668e+00 2.94 -4.307342619e+00 -4.307342619e+00 2.96 -4.259067056e+00 -4.259067056e+00 2.98 -4.206892807e+00 -4.206892807e+00 3.00 -4.151184207e+00 -4.151184207e+00 3.02 -4.092328740e+00 -4.092328740e+00 3.04 -4.030735611e+00 -4.030735611e+00 3.06 -3.966822831e+00 -3.966822831e+00 3.08 -3.900998121e+00 -3.900998121e+00 3.10 -3.833639863e+00 -3.833639863e+00 3.12 -3.765081599e+00 -3.765081599e+00 3.14 -3.695604383e+00 -3.695604383e+00 3.16 -3.625436515e+00 -3.625436515e+00 3.18 -3.554760257e+00 -3.554760257e+00 3.20 -3.483721438e+00 -3.483721438e+00 3.22 -3.412439633e+00 -3.412439633e+00 3.24 -3.341016943e+00 -3.341016943e+00 3.26 -3.269544548e+00 -3.269544548e+00 3.28 -3.198107008e+00 -3.198107008e+00 3.30 -3.126784680e+00 -3.126784680e+00 3.32 -3.055654834e+00 -3.055654834e+00 3.34 -2.984792016e+00 -2.984792016e+00 3.36 -2.914268144e+00 -2.914268144e+00 3.38 -2.844152712e+00 -2.844152712e+00 3.40 -2.774513336e+00 -2.774513336e+00 3.42 -2.705416946e+00 -2.705416946e+00 3.44 -2.636931205e+00 -2.636931205e+00 3.46 -2.569126553e+00 -2.569126553e+00 3.48 -2.502078068e+00 -2.502078068e+00 3.50 -2.435866768e+00 -2.435866768e+00 3.52 -2.370579715e+00 -2.370579715e+00 3.54 -2.306308359e+00 -2.306308359e+00 3.56 -2.243144943e+00 -2.243144943e+00 3.58 -2.181177277e+00 -2.181177277e+00 3.60 -2.120482766e+00 -2.120482766e+00 3.62 -2.061122925e+00 -2.061122925e+00 3.64 -2.003139546e+00 -2.003139546e+00 3.66 -1.946553267e+00 -1.946553267e+00 3.68 -1.891364623e+00 -1.891364623e+00 3.70 -1.837557090e+00 -1.837557090e+00 3.72 -1.785101280e+00 -1.785101280e+00 3.74 -1.733959428e+00 -1.733959428e+00 3.76 -1.684089499e+00 -1.684089499e+00 3.78 -1.635448504e+00 -1.635448504e+00 3.80 -1.587994876e+00 -1.587994876e+00 3.82 -1.541689961e+00 -1.541689961e+00 3.84 -1.496498742e+00 -1.496498742e+00 3.86 -1.452390006e+00 -1.452390006e+00 3.88 -1.409336103e+00 -1.409336103e+00 3.90 -1.367312472e+00 -1.367312472e+00 3.92 -1.326297003e+00 -1.326297003e+00 3.94 -1.286269610e+00 -1.286269610e+00 3.96 -1.247211328e+00 -1.247211328e+00 3.98 -1.209104021e+00 -1.209104021e+00 4.00 -1.171929910e+00 -1.171929910e+00 4.02 -1.135671269e+00 -1.135671269e+00 4.04 -1.100310252e+00 -1.100310252e+00 4.06 -1.065828852e+00 -1.065828852e+00 4.08 -1.032208980e+00 -1.032208980e+00 4.10 -9.994325639e-01 -9.994325639e-01 4.12 -9.674823599e-01 -9.674823599e-01 4.14 -9.363416061e-01 -9.363416061e-01 4.16 -9.059950446e-01 -9.059950446e-01 4.18 -8.764292711e-01 -8.764292711e-01 4.20 -8.476331742e-01 -8.476331742e-01 4.22 -8.195982429e-01 -8.195982429e-01 4.24 -7.923186623e-01 -7.923186623e-01 4.26 -7.657911299e-01 -7.657911299e-01 4.28 -7.400143529e-01 -7.400143529e-01 4.30 -7.149882384e-01 -7.149882384e-01 4.32 -6.907128409e-01 -6.907128409e-01 4.34 -6.671871854e-01 -6.671871854e-01 4.36 -6.444081148e-01 -6.444081148e-01 4.38 -6.223693126e-01 -6.223693126e-01 4.40 -6.010606187e-01 -6.010606187e-01 4.42 -5.804677034e-01 -5.804677034e-01 4.44 -5.605721018e-01 -5.605721018e-01 4.46 -5.413515551e-01 -5.413515551e-01 4.48 -5.227805727e-01 -5.227805727e-01 4.50 -5.048311169e-01 -5.048311169e-01 4.52 -4.874733177e-01 -4.874733177e-01 4.54 -4.706761496e-01 -4.706761496e-01 4.56 -4.544080254e-01 -4.544080254e-01 4.58 -4.386372879e-01 -4.386372879e-01 4.60 -4.233326014e-01 -4.233326014e-01 4.62 -4.084632574e-01 -4.084632574e-01 4.64 -3.939994205e-01 -3.939994205e-01 4.66 -3.799123391e-01 -3.799123391e-01 4.68 -3.661745521e-01 -3.661745521e-01 4.70 -3.527601140e-01 -3.527601140e-01 4.72 -3.396448618e-01 -3.396448618e-01 4.74 -3.268067365e-01 -3.268067365e-01 4.76 -3.142261673e-01 -3.142261673e-01 4.78 -3.018865160e-01 -3.018865160e-01 4.80 -2.897744840e-01 -2.897744840e-01 4.82 -2.778809634e-01 -2.778809634e-01 4.84 -2.662009827e-01 -2.662009827e-01 4.86 -2.547344874e-01 -2.547344874e-01 4.88 -2.434865035e-01 -2.434865035e-01 4.90 -2.324671871e-01 -2.324671871e-01 4.92 -2.216916020e-01 -2.216916020e-01 4.94 -2.111791792e-01 -2.111791792e-01 4.96 -2.009528424e-01 -2.009528424e-01 4.98 -1.910378245e-01 -1.910378245e-01 5.00 -1.814602366e-01 -1.814602366e-01 5.02 -1.722454960e-01 -1.722454960e-01 5.04 -1.634167404e-01 -1.634167404e-01 5.06 -1.549933717e-01 -1.549933717e-01 5.08 -1.469898570e-01 -1.469898570e-01 5.10 -1.394148885e-01 -1.394148885e-01 5.12 -1.322709576e-01 -1.322709576e-01 5.14 -1.255543509e-01 -1.255543509e-01 5.16 -1.192555246e-01 -1.192555246e-01 5.18 -1.133597891e-01 -1.133597891e-01 5.20 -1.078481989e-01 -1.078481989e-01 5.22 -1.026984752e-01 -1.026984752e-01 5.24 -9.788567962e-02 -9.788567962e-02 5.26 -9.338435384e-02 -9.338435384e-02 5.28 -8.916854128e-02 -8.916854128e-02 5.30 -8.521233799e-02 -8.521233799e-02 5.32 -8.149048956e-02 -8.149048956e-02 5.34 -7.797882051e-02 -7.797882051e-02 5.36 -7.465451842e-02 -7.465451842e-02 5.38 -7.149629982e-02 -7.149629982e-02 5.40 -6.848448556e-02 -6.848448556e-02 5.42 -6.560101190e-02 -6.560101190e-02 5.44 -6.282940046e-02 -6.282940046e-02 5.46 -6.015470632e-02 -6.015470632e-02 5.48 -5.756345998e-02 -5.756345998e-02 5.50 -5.504361505e-02 -5.504361505e-02 5.52 -5.258451033e-02 -5.258451033e-02 5.54 -5.017685156e-02 -5.017685156e-02 5.56 -4.781271528e-02 -4.781271528e-02 5.58 -4.548557401e-02 -4.548557401e-02 5.60 -4.319033933e-02 -4.319033933e-02 5.62 -4.092341581e-02 -4.092341581e-02 5.64 -3.868275626e-02 -3.868275626e-02 5.66 -3.646790584e-02 -3.646790584e-02 5.68 -3.428002061e-02 -3.428002061e-02 5.70 -3.212184547e-02 -3.212184547e-02 5.72 -2.999763729e-02 -2.999763729e-02 5.74 -2.791302198e-02 -2.791302198e-02 5.76 -2.587477947e-02 -2.587477947e-02 5.78 -2.389055826e-02 -2.389055826e-02 5.80 -2.196852761e-02 -2.196852761e-02 5.82 -2.011698742e-02 -2.011698742e-02 5.84 -1.834396016e-02 -1.834396016e-02 5.86 -1.665679393e-02 -1.665679393e-02 5.88 -1.506180699e-02 -1.506180699e-02 5.90 -1.356400032e-02 -1.356400032e-02 5.92 -1.216677298e-02 -1.216677298e-02 5.94 -1.087179033e-02 -1.087179033e-02 5.96 -9.679435591e-03 -9.679435591e-03 5.98 -8.588526804e-03 -8.588526804e-03 6.00 -7.596452118e-03 -7.596452118e-03