# 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 = TaTiZr2 # 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 3.778510366e+02 3.778510366e+02 1.30 3.513875201e+02 3.513875201e+02 1.32 3.268351893e+02 3.268351893e+02 1.34 3.040439854e+02 3.040439854e+02 1.36 2.828768769e+02 2.828768769e+02 1.38 2.632092550e+02 2.632092550e+02 1.40 2.449277491e+02 2.449277491e+02 1.42 2.279283068e+02 2.279283068e+02 1.44 2.121144105e+02 2.121144105e+02 1.46 1.973961268e+02 1.973961268e+02 1.48 1.836898087e+02 1.836898087e+02 1.50 1.709179177e+02 1.709179177e+02 1.52 1.590088724e+02 1.590088724e+02 1.54 1.478969525e+02 1.478969525e+02 1.56 1.375223892e+02 1.375223892e+02 1.58 1.278314358e+02 1.278314358e+02 1.60 1.187760523e+02 1.187760523e+02 1.62 1.103131003e+02 1.103131003e+02 1.64 1.024034074e+02 1.024034074e+02 1.66 9.501095535e+01 9.501095535e+01 1.68 8.810233281e+01 8.810233281e+01 1.70 8.164649203e+01 8.164649203e+01 1.72 7.561456190e+01 7.561456190e+01 1.74 6.997966576e+01 6.997966576e+01 1.76 6.471665902e+01 6.471665902e+01 1.78 5.980186059e+01 5.980186059e+01 1.80 5.521279422e+01 5.521279422e+01 1.82 5.092803317e+01 5.092803317e+01 1.84 4.692708222e+01 4.692708222e+01 1.86 4.319046369e+01 4.319046369e+01 1.88 3.969984688e+01 3.969984688e+01 1.90 3.643817508e+01 3.643817508e+01 1.92 3.338967851e+01 3.338967851e+01 1.94 3.053978919e+01 3.053978919e+01 1.96 2.787500853e+01 2.787500853e+01 1.98 2.538282961e+01 2.538282961e+01 2.00 2.305169001e+01 2.305169001e+01 2.02 2.087090589e+01 2.087090589e+01 2.04 1.883150651e+01 1.883150651e+01 2.06 1.692785117e+01 1.692785117e+01 2.08 1.515188923e+01 1.515188923e+01 2.10 1.349541241e+01 1.349541241e+01 2.12 1.195076546e+01 1.195076546e+01 2.14 1.051083922e+01 1.051083922e+01 2.16 9.169056455e+00 9.169056455e+00 2.18 7.919331339e+00 7.919331339e+00 2.20 6.756021934e+00 6.756021934e+00 2.22 5.673845631e+00 5.673845631e+00 2.24 4.667813119e+00 4.667813119e+00 2.26 3.733189593e+00 3.733189593e+00 2.28 2.865469043e+00 2.865469043e+00 2.30 2.060400787e+00 2.060400787e+00 2.32 1.313958630e+00 1.313958630e+00 2.34 6.223632163e-01 6.223632163e-01 2.36 -1.795064857e-02 -1.795064857e-02 2.38 -6.103439096e-01 -6.103439096e-01 2.40 -1.157987501e+00 -1.157987501e+00 2.42 -1.663882701e+00 -1.663882701e+00 2.44 -2.130866215e+00 -2.130866215e+00 2.46 -2.561624162e+00 -2.561624162e+00 2.48 -2.958690394e+00 -2.958690394e+00 2.50 -3.324439349e+00 -3.324439349e+00 2.52 -3.661075430e+00 -3.661075430e+00 2.54 -3.970623474e+00 -3.970623474e+00 2.56 -4.254924302e+00 -4.254924302e+00 2.58 -4.515638765e+00 -4.515638765e+00 2.60 -4.754262177e+00 -4.754262177e+00 2.62 -4.972144614e+00 -4.972144614e+00 2.64 -5.170531971e+00 -5.170531971e+00 2.66 -5.350570627e+00 -5.350570627e+00 2.68 -5.513343947e+00 -5.513343947e+00 2.70 -5.659881801e+00 -5.659881801e+00 2.72 -5.791167772e+00 -5.791167772e+00 2.74 -5.908140890e+00 -5.908140890e+00 2.76 -6.011693557e+00 -6.011693557e+00 2.78 -6.102665256e+00 -6.102665256e+00 2.80 -6.181849498e+00 -6.181849498e+00 2.82 -6.249976265e+00 -6.249976265e+00 2.84 -6.307724442e+00 -6.307724442e+00 2.86 -6.355661708e+00 -6.355661708e+00 2.88 -6.394402140e+00 -6.394402140e+00 2.90 -6.424669421e+00 -6.424669421e+00 2.92 -6.447001466e+00 -6.447001466e+00 2.94 -6.461858800e+00 -6.461858800e+00 2.96 -6.469698337e+00 -6.469698337e+00 2.98 -6.470971606e+00 -6.470971606e+00 3.00 -6.466122412e+00 -6.466122412e+00 3.02 -6.455583774e+00 -6.455583774e+00 3.04 -6.439763711e+00 -6.439763711e+00 3.06 -6.418966898e+00 -6.418966898e+00 3.08 -6.393299178e+00 -6.393299178e+00 3.10 -6.362770633e+00 -6.362770633e+00 3.12 -6.327355816e+00 -6.327355816e+00 3.14 -6.287084878e+00 -6.287084878e+00 3.16 -6.242018125e+00 -6.242018125e+00 3.18 -6.192259104e+00 -6.192259104e+00 3.20 -6.137948034e+00 -6.137948034e+00 3.22 -6.079261009e+00 -6.079261009e+00 3.24 -6.016404744e+00 -6.016404744e+00 3.26 -5.949537123e+00 -5.949537123e+00 3.28 -5.878795826e+00 -5.878795826e+00 3.30 -5.804373874e+00 -5.804373874e+00 3.32 -5.726514846e+00 -5.726514846e+00 3.34 -5.645500512e+00 -5.645500512e+00 3.36 -5.561634358e+00 -5.561634358e+00 3.38 -5.475223684e+00 -5.475223684e+00 3.40 -5.386562196e+00 -5.386562196e+00 3.42 -5.295923756e+00 -5.295923756e+00 3.44 -5.203547245e+00 -5.203547245e+00 3.46 -5.109641355e+00 -5.109641355e+00 3.48 -5.014385163e+00 -5.014385163e+00 3.50 -4.917932385e+00 -4.917932385e+00 3.52 -4.820416266e+00 -4.820416266e+00 3.54 -4.721954150e+00 -4.721954150e+00 3.56 -4.622651283e+00 -4.622651283e+00 3.58 -4.522603830e+00 -4.522603830e+00 3.60 -4.421901440e+00 -4.421901440e+00 3.62 -4.320629864e+00 -4.320629864e+00 3.64 -4.218874125e+00 -4.218874125e+00 3.66 -4.116722542e+00 -4.116722542e+00 3.68 -4.014271632e+00 -4.014271632e+00 3.70 -3.911631581e+00 -3.911631581e+00 3.72 -3.808931777e+00 -3.808931777e+00 3.74 -3.706325778e+00 -3.706325778e+00 3.76 -3.603995036e+00 -3.603995036e+00 3.78 -3.502150776e+00 -3.502150776e+00 3.80 -3.401033480e+00 -3.401033480e+00 3.82 -3.300909545e+00 -3.300909545e+00 3.84 -3.202064890e+00 -3.202064890e+00 3.86 -3.104795620e+00 -3.104795620e+00 3.88 -3.009396228e+00 -3.009396228e+00 3.90 -2.916146368e+00 -2.916146368e+00 3.92 -2.825294315e+00 -2.825294315e+00 3.94 -2.737059123e+00 -2.737059123e+00 3.96 -2.651600220e+00 -2.651600220e+00 3.98 -2.569028186e+00 -2.569028186e+00 4.00 -2.489400347e+00 -2.489400347e+00 4.02 -2.412724278e+00 -2.412724278e+00 4.04 -2.338964159e+00 -2.338964159e+00 4.06 -2.268048830e+00 -2.268048830e+00 4.08 -2.199880387e+00 -2.199880387e+00 4.10 -2.134333535e+00 -2.134333535e+00 4.12 -2.071300221e+00 -2.071300221e+00 4.14 -2.010636890e+00 -2.010636890e+00 4.16 -1.952210643e+00 -1.952210643e+00 4.18 -1.895891746e+00 -1.895891746e+00 4.20 -1.841556056e+00 -1.841556056e+00 4.22 -1.789086544e+00 -1.789086544e+00 4.24 -1.738374124e+00 -1.738374124e+00 4.26 -1.689317974e+00 -1.689317974e+00 4.28 -1.641825475e+00 -1.641825475e+00 4.30 -1.595811934e+00 -1.595811934e+00 4.32 -1.551200140e+00 -1.551200140e+00 4.34 -1.507919857e+00 -1.507919857e+00 4.36 -1.465907272e+00 -1.465907272e+00 4.38 -1.425104443e+00 -1.425104443e+00 4.40 -1.385458749e+00 -1.385458749e+00 4.42 -1.346922361e+00 -1.346922361e+00 4.44 -1.309451723e+00 -1.309451723e+00 4.46 -1.273007063e+00 -1.273007063e+00 4.48 -1.237551918e+00 -1.237551918e+00 4.50 -1.203052689e+00 -1.203052689e+00 4.52 -1.169478225e+00 -1.169478225e+00 4.54 -1.136799440e+00 -1.136799440e+00 4.56 -1.104988969e+00 -1.104988969e+00 4.58 -1.074020869e+00 -1.074020869e+00 4.60 -1.043870358e+00 -1.043870358e+00 4.62 -1.014513601e+00 -1.014513601e+00 4.64 -9.859275380e-01 -9.859275380e-01 4.66 -9.580897516e-01 -9.580897516e-01 4.68 -9.309783760e-01 -9.309783760e-01 4.70 -9.045720385e-01 -9.045720385e-01 4.72 -8.788498345e-01 -8.788498345e-01 4.74 -8.537913318e-01 -8.537913318e-01 4.76 -8.293766031e-01 -8.293766031e-01 4.78 -8.055862815e-01 -8.055862815e-01 4.80 -7.823955156e-01 -7.823955156e-01 4.82 -7.597995974e-01 -7.597995974e-01 4.84 -7.377740429e-01 -7.377740429e-01 4.86 -7.163027022e-01 -7.163027022e-01 4.88 -6.953704966e-01 -6.953704966e-01 4.90 -6.749635154e-01 -6.749635154e-01 4.92 -6.550690800e-01 -6.550690800e-01 4.94 -6.356757555e-01 -6.356757555e-01 4.96 -6.167732942e-01 -6.167732942e-01 4.98 -5.983524971e-01 -5.983524971e-01 5.00 -5.804049887e-01 -5.804049887e-01 5.02 -5.629229121e-01 -5.629229121e-01 5.04 -5.458985624e-01 -5.458985624e-01 5.06 -5.293239921e-01 -5.293239921e-01 5.08 -5.131906275e-01 -5.131906275e-01 5.10 -4.974889393e-01 -4.974889393e-01 5.12 -4.822082064e-01 -4.822082064e-01 5.14 -4.673363997e-01 -4.673363997e-01 5.16 -4.528601989e-01 -4.528601989e-01 5.18 -4.387651409e-01 -4.387651409e-01 5.20 -4.250358833e-01 -4.250358833e-01 5.22 -4.116565602e-01 -4.116565602e-01 5.24 -3.986112006e-01 -3.986112006e-01 5.26 -3.858841827e-01 -3.858841827e-01 5.28 -3.734606958e-01 -3.734606958e-01 5.30 -3.613271858e-01 -3.613271858e-01 5.32 -3.494717616e-01 -3.494717616e-01 5.34 -3.378845402e-01 -3.378845402e-01 5.36 -3.265579080e-01 -3.265579080e-01 5.38 -3.154866752e-01 -3.154866752e-01 5.40 -3.046681042e-01 -3.046681042e-01 5.42 -2.941017943e-01 -2.941017943e-01 5.44 -2.837894176e-01 -2.837894176e-01 5.46 -2.737343097e-01 -2.737343097e-01 5.48 -2.639409395e-01 -2.639409395e-01 5.50 -2.544142938e-01 -2.544142938e-01 5.52 -2.451592287e-01 -2.451592287e-01 5.54 -2.361798475e-01 -2.361798475e-01 5.56 -2.274789635e-01 -2.274789635e-01 5.58 -2.190576964e-01 -2.190576964e-01 5.60 -2.109152365e-01 -2.109152365e-01 5.62 -2.030487859e-01 -2.030487859e-01 5.64 -1.954536678e-01 -1.954536678e-01 5.66 -1.881235722e-01 -1.881235722e-01 5.68 -1.810508956e-01 -1.810508956e-01 5.70 -1.742271224e-01 -1.742271224e-01 5.72 -1.676432018e-01 -1.676432018e-01 5.74 -1.612898782e-01 -1.612898782e-01 5.76 -1.551579428e-01 -1.551579428e-01 5.78 -1.492383914e-01 -1.492383914e-01 5.80 -1.435224851e-01 -1.435224851e-01 5.82 -1.380017050e-01 -1.380017050e-01 5.84 -1.326674269e-01 -1.326674269e-01 5.86 -1.275113674e-01 -1.275113674e-01 5.88 -1.225251966e-01 -1.225251966e-01 5.90 -1.177002753e-01 -1.177002753e-01 5.92 -1.130275730e-01 -1.130275730e-01 5.94 -1.084976375e-01 -1.084976375e-01 5.96 -1.041006256e-01 -1.041006256e-01 5.98 -9.982639382e-02 -9.982639382e-02 6.00 -9.566464524e-02 -9.566464524e-02