# 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 = CuTi2W # 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 2.613476470e+02 2.613476470e+02 1.30 2.412764027e+02 2.412764027e+02 1.32 2.227626908e+02 2.227626908e+02 1.34 2.056734132e+02 2.056734132e+02 1.36 1.898847274e+02 1.898847274e+02 1.38 1.752836972e+02 1.752836972e+02 1.40 1.617688412e+02 1.617688412e+02 1.42 1.492498172e+02 1.492498172e+02 1.44 1.376467341e+02 1.376467341e+02 1.46 1.268890153e+02 1.268890153e+02 1.48 1.169136150e+02 1.169136150e+02 1.50 1.076631636e+02 1.076631636e+02 1.52 9.908479763e+01 9.908479763e+01 1.54 9.112976181e+01 9.112976181e+01 1.56 8.375339126e+01 8.375339126e+01 1.58 7.691505861e+01 7.691505861e+01 1.60 7.057787480e+01 7.057787480e+01 1.62 6.470817280e+01 6.470817280e+01 1.64 5.927484499e+01 5.927484499e+01 1.66 5.424856149e+01 5.424856149e+01 1.68 4.960102460e+01 4.960102460e+01 1.70 4.530456046e+01 4.530456046e+01 1.72 4.133222705e+01 4.133222705e+01 1.74 3.765829384e+01 3.765829384e+01 1.76 3.425872672e+01 3.425872672e+01 1.78 3.111143400e+01 3.111143400e+01 1.80 2.819631266e+01 2.819631266e+01 1.82 2.549563937e+01 2.549563937e+01 1.84 2.299345673e+01 2.299345673e+01 1.86 2.067563386e+01 2.067563386e+01 1.88 1.852929851e+01 1.852929851e+01 1.90 1.654268257e+01 1.654268257e+01 1.92 1.470501313e+01 1.470501313e+01 1.94 1.300624597e+01 1.300624597e+01 1.96 1.143696433e+01 1.143696433e+01 1.98 9.988365232e+00 9.988365232e+00 2.00 8.652241387e+00 8.652241387e+00 2.02 7.420897141e+00 7.420897141e+00 2.04 6.287018743e+00 6.287018743e+00 2.06 5.243567747e+00 5.243567747e+00 2.08 4.283747913e+00 4.283747913e+00 2.10 3.401044947e+00 3.401044947e+00 2.12 2.589301542e+00 2.589301542e+00 2.14 1.842787581e+00 1.842787581e+00 2.16 1.156244792e+00 1.156244792e+00 2.18 5.248990120e-01 5.248990120e-01 2.20 -5.555998638e-02 -5.555998638e-02 2.22 -5.890274935e-01 -5.890274935e-01 2.24 -1.079049167e+00 -1.079049167e+00 2.26 -1.528885738e+00 -1.528885738e+00 2.28 -1.941562499e+00 -1.941562499e+00 2.30 -2.319895147e+00 -2.319895147e+00 2.32 -2.666493790e+00 -2.666493790e+00 2.34 -2.983748607e+00 -2.983748607e+00 2.36 -3.273812862e+00 -3.273812862e+00 2.38 -3.538597930e+00 -3.538597930e+00 2.40 -3.779791722e+00 -3.779791722e+00 2.42 -3.998897897e+00 -3.998897897e+00 2.44 -4.197254343e+00 -4.197254343e+00 2.46 -4.376081522e+00 -4.376081522e+00 2.48 -4.536653417e+00 -4.536653417e+00 2.50 -4.680187036e+00 -4.680187036e+00 2.52 -4.807840269e+00 -4.807840269e+00 2.54 -4.920710032e+00 -4.920710032e+00 2.56 -5.019827062e+00 -5.019827062e+00 2.58 -5.106151896e+00 -5.106151896e+00 2.60 -5.180574788e+00 -5.180574788e+00 2.62 -5.243855796e+00 -5.243855796e+00 2.64 -5.296543123e+00 -5.296543123e+00 2.66 -5.339157725e+00 -5.339157725e+00 2.68 -5.372226542e+00 -5.372226542e+00 2.70 -5.396279549e+00 -5.396279549e+00 2.72 -5.411843662e+00 -5.411843662e+00 2.74 -5.419502828e+00 -5.419502828e+00 2.76 -5.419767677e+00 -5.419767677e+00 2.78 -5.412999545e+00 -5.412999545e+00 2.80 -5.399550908e+00 -5.399550908e+00 2.82 -5.379764203e+00 -5.379764203e+00 2.84 -5.353976601e+00 -5.353976601e+00 2.86 -5.322543057e+00 -5.322543057e+00 2.88 -5.286094284e+00 -5.286094284e+00 2.90 -5.244781183e+00 -5.244781183e+00 2.92 -5.198461013e+00 -5.198461013e+00 2.94 -5.147038631e+00 -5.147038631e+00 2.96 -5.090549676e+00 -5.090549676e+00 2.98 -5.029150413e+00 -5.029150413e+00 3.00 -4.963114567e+00 -4.963114567e+00 3.02 -4.892855135e+00 -4.892855135e+00 3.04 -4.818849649e+00 -4.818849649e+00 3.06 -4.741588128e+00 -4.741588128e+00 3.08 -4.661539244e+00 -4.661539244e+00 3.10 -4.579120592e+00 -4.579120592e+00 3.12 -4.494677393e+00 -4.494677393e+00 3.14 -4.408473664e+00 -4.408473664e+00 3.16 -4.320694022e+00 -4.320694022e+00 3.18 -4.231455110e+00 -4.231455110e+00 3.20 -4.140821221e+00 -4.140821221e+00 3.22 -4.048821428e+00 -4.048821428e+00 3.24 -3.955466032e+00 -3.955466032e+00 3.26 -3.860761386e+00 -3.860761386e+00 3.28 -3.764722982e+00 -3.764722982e+00 3.30 -3.667386911e+00 -3.667386911e+00 3.32 -3.568819834e+00 -3.568819834e+00 3.34 -3.469127383e+00 -3.469127383e+00 3.36 -3.368460717e+00 -3.368460717e+00 3.38 -3.267020790e+00 -3.267020790e+00 3.40 -3.165059864e+00 -3.165059864e+00 3.42 -3.062880019e+00 -3.062880019e+00 3.44 -2.960828096e+00 -2.960828096e+00 3.46 -2.859287654e+00 -2.859287654e+00 3.48 -2.758667807e+00 -2.758667807e+00 3.50 -2.659389606e+00 -2.659389606e+00 3.52 -2.561870583e+00 -2.561870583e+00 3.54 -2.466508307e+00 -2.466508307e+00 3.56 -2.373663984e+00 -2.373663984e+00 3.58 -2.283647448e+00 -2.283647448e+00 3.60 -2.196705059e+00 -2.196705059e+00 3.62 -2.113011963e+00 -2.113011963e+00 3.64 -2.032669733e+00 -2.032669733e+00 3.66 -1.955709592e+00 -1.955709592e+00 3.68 -1.882100531e+00 -1.882100531e+00 3.70 -1.811760910e+00 -1.811760910e+00 3.72 -1.744571771e+00 -1.744571771e+00 3.74 -1.680390187e+00 -1.680390187e+00 3.76 -1.619061294e+00 -1.619061294e+00 3.78 -1.560428135e+00 -1.560428135e+00 3.80 -1.504338889e+00 -1.504338889e+00 3.82 -1.450651424e+00 -1.450651424e+00 3.84 -1.399235400e+00 -1.399235400e+00 3.86 -1.349972357e+00 -1.349972357e+00 3.88 -1.302754355e+00 -1.302754355e+00 3.90 -1.257481768e+00 -1.257481768e+00 3.92 -1.214060803e+00 -1.214060803e+00 3.94 -1.172401518e+00 -1.172401518e+00 3.96 -1.132415854e+00 -1.132415854e+00 3.98 -1.094016931e+00 -1.094016931e+00 4.00 -1.057118705e+00 -1.057118705e+00 4.02 -1.021636199e+00 -1.021636199e+00 4.04 -9.874860589e-01 -9.874860589e-01 4.06 -9.545872422e-01 -9.545872422e-01 4.08 -9.228616965e-01 -9.228616965e-01 4.10 -8.922347937e-01 -8.922347937e-01 4.12 -8.626363585e-01 -8.626363585e-01 4.14 -8.340000359e-01 -8.340000359e-01 4.16 -8.062641477e-01 -8.062641477e-01 4.18 -7.793716570e-01 -7.793716570e-01 4.20 -7.532702926e-01 -7.532702926e-01 4.22 -7.279126971e-01 -7.279126971e-01 4.24 -7.032566208e-01 -7.032566208e-01 4.26 -6.792651663e-01 -6.792651663e-01 4.28 -6.559070705e-01 -6.559070705e-01 4.30 -6.331569844e-01 -6.331569844e-01 4.32 -6.109956942e-01 -6.109956942e-01 4.34 -5.894102116e-01 -5.894102116e-01 4.36 -5.683936534e-01 -5.683936534e-01 4.38 -5.479448391e-01 -5.479448391e-01 4.40 -5.280675572e-01 -5.280675572e-01 4.42 -5.087694893e-01 -5.087694893e-01 4.44 -4.900608309e-01 -4.900608309e-01 4.46 -4.719527004e-01 -4.719527004e-01 4.48 -4.544554690e-01 -4.544554690e-01 4.50 -4.375771702e-01 -4.375771702e-01 4.52 -4.213221435e-01 -4.213221435e-01 4.54 -4.056900359e-01 -4.056900359e-01 4.56 -3.906752339e-01 -3.906752339e-01 4.58 -3.762667422e-01 -3.762667422e-01 4.60 -3.624484637e-01 -3.624484637e-01 4.62 -3.491998005e-01 -3.491998005e-01 4.64 -3.364964700e-01 -3.364964700e-01 4.66 -3.243114298e-01 -3.243114298e-01 4.68 -3.126158191e-01 -3.126158191e-01 4.70 -3.013798478e-01 -3.013798478e-01 4.72 -2.905735892e-01 -2.905735892e-01 4.74 -2.801676577e-01 -2.801676577e-01 4.76 -2.701337712e-01 -2.701337712e-01 4.78 -2.604452111e-01 -2.604452111e-01 4.80 -2.510771143e-01 -2.510771143e-01 4.82 -2.420071327e-01 -2.420071327e-01 4.84 -2.332151524e-01 -2.332151524e-01 4.86 -2.246838971e-01 -2.246838971e-01 4.88 -2.163990095e-01 -2.163990095e-01 4.90 -2.083491806e-01 -2.083491806e-01 4.92 -2.005262060e-01 -2.005262060e-01 4.94 -1.929249428e-01 -1.929249428e-01 4.96 -1.855431399e-01 -1.855431399e-01 4.98 -1.783811199e-01 -1.783811199e-01 5.00 -1.714413073e-01 -1.714413073e-01 5.02 -1.647276119e-01 -1.647276119e-01 5.04 -1.582447029e-01 -1.582447029e-01 5.06 -1.519972296e-01 -1.519972296e-01 5.08 -1.459890030e-01 -1.459890030e-01 5.10 -1.402220784e-01 -1.402220784e-01 5.12 -1.346970340e-01 -1.346970340e-01 5.14 -1.294121757e-01 -1.294121757e-01 5.16 -1.243633012e-01 -1.243633012e-01 5.18 -1.195437862e-01 -1.195437862e-01 5.20 -1.149448342e-01 -1.149448342e-01 5.22 -1.105558374e-01 -1.105558374e-01 5.24 -1.063647984e-01 -1.063647984e-01 5.26 -1.023587612e-01 -1.023587612e-01 5.28 -9.852421584e-02 -9.852421584e-02 5.30 -9.484745145e-02 -9.484745145e-02 5.32 -9.131484330e-02 -9.131484330e-02 5.34 -8.791307340e-02 -8.791307340e-02 5.36 -8.462928853e-02 -8.462928853e-02 5.38 -8.145120598e-02 -8.145120598e-02 5.40 -7.836717911e-02 -7.836717911e-02 5.42 -7.536623542e-02 -7.536623542e-02 5.44 -7.243809920e-02 -7.243809920e-02 5.46 -6.957320970e-02 -6.957320970e-02 5.48 -6.676274369e-02 -6.676274369e-02 5.50 -6.399864974e-02 -6.399864974e-02 5.52 -6.127369930e-02 -6.127369930e-02 5.54 -5.858155764e-02 -5.858155764e-02 5.56 -5.591687524e-02 -5.591687524e-02 5.58 -5.327539774e-02 -5.327539774e-02 5.60 -5.065408940e-02 -5.065408940e-02 5.62 -4.805126198e-02 -4.805126198e-02 5.64 -4.546669778e-02 -4.546669778e-02 5.66 -4.290175249e-02 -4.290175249e-02 5.68 -4.035942124e-02 -4.035942124e-02 5.70 -3.784435071e-02 -3.784435071e-02 5.72 -3.536278082e-02 -3.536278082e-02 5.74 -3.292240353e-02 -3.292240353e-02 5.76 -3.053213200e-02 -3.053213200e-02 5.78 -2.820178258e-02 -2.820178258e-02 5.80 -2.594168020e-02 -2.594168020e-02 5.82 -2.376221073e-02 -2.376221073e-02 5.84 -2.167334995e-02 -2.167334995e-02 5.86 -1.968420402e-02 -1.968420402e-02 5.88 -1.780259767e-02 -1.780259767e-02 5.90 -1.603474186e-02 -1.603474186e-02 5.92 -1.438491912e-02 -1.438491912e-02 5.94 -1.285533931e-02 -1.285533931e-02 5.96 -1.144659714e-02 -1.144659714e-02 5.98 -1.015740864e-02 -1.015740864e-02 6.00 -8.984779556e-03 -8.984779556e-03