# 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 = Al2CoTi # 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 1.272201468e+02 1.272201468e+02 1.30 1.178997217e+02 1.178997217e+02 1.32 1.092644152e+02 1.092644152e+02 1.34 1.012591961e+02 1.012591961e+02 1.36 9.383330995e+01 9.383330995e+01 1.38 8.694130459e+01 8.694130459e+01 1.40 8.054277279e+01 8.054277279e+01 1.42 7.460094502e+01 7.460094502e+01 1.44 6.908106389e+01 6.908106389e+01 1.46 6.394958562e+01 6.394958562e+01 1.48 5.917473210e+01 5.917473210e+01 1.50 5.472784956e+01 5.472784956e+01 1.52 5.058427208e+01 5.058427208e+01 1.54 4.672296999e+01 4.672296999e+01 1.56 4.312545129e+01 4.312545129e+01 1.58 3.977469365e+01 3.977469365e+01 1.60 3.665443968e+01 3.665443968e+01 1.62 3.374883561e+01 3.374883561e+01 1.64 3.104231366e+01 3.104231366e+01 1.66 2.851980318e+01 2.851980318e+01 1.68 2.616714107e+01 2.616714107e+01 1.70 2.397121061e+01 2.397121061e+01 1.72 2.192037417e+01 2.192037417e+01 1.74 2.000713675e+01 2.000713675e+01 1.76 1.822249032e+01 1.822249032e+01 1.78 1.655783330e+01 1.655783330e+01 1.80 1.500531197e+01 1.500531197e+01 1.82 1.355777297e+01 1.355777297e+01 1.84 1.220874665e+01 1.220874665e+01 1.86 1.095236604e+01 1.095236604e+01 1.88 9.783213307e+00 9.783213307e+00 1.90 8.696135209e+00 8.696135209e+00 1.92 7.686075726e+00 7.686075726e+00 1.94 6.747971696e+00 6.747971696e+00 1.96 5.876745282e+00 5.876745282e+00 1.98 5.067396645e+00 5.067396645e+00 2.00 4.315162391e+00 4.315162391e+00 2.02 3.615679301e+00 3.615679301e+00 2.04 2.965088792e+00 2.965088792e+00 2.06 2.360044022e+00 2.360044022e+00 2.08 1.797630642e+00 1.797630642e+00 2.10 1.275248200e+00 1.275248200e+00 2.12 7.904984863e-01 7.904984863e-01 2.14 3.411065974e-01 3.411065974e-01 2.16 -7.511819701e-02 -7.511819701e-02 2.18 -4.602872043e-01 -4.602872043e-01 2.20 -8.164160562e-01 -8.164160562e-01 2.22 -1.145404203e+00 -1.145404203e+00 2.24 -1.449020686e+00 -1.449020686e+00 2.26 -1.728897851e+00 -1.728897851e+00 2.28 -1.986529305e+00 -1.986529305e+00 2.30 -2.223268868e+00 -2.223268868e+00 2.32 -2.440332403e+00 -2.440332403e+00 2.34 -2.638803541e+00 -2.638803541e+00 2.36 -2.819645873e+00 -2.819645873e+00 2.38 -2.983721688e+00 -2.983721688e+00 2.40 -3.131817398e+00 -3.131817398e+00 2.42 -3.264673746e+00 -3.264673746e+00 2.44 -3.383016829e+00 -3.383016829e+00 2.46 -3.487585798e+00 -3.487585798e+00 2.48 -3.579153422e+00 -3.579153422e+00 2.50 -3.658538233e+00 -3.658538233e+00 2.52 -3.726624119e+00 -3.726624119e+00 2.54 -3.784375853e+00 -3.784375853e+00 2.56 -3.832723694e+00 -3.832723694e+00 2.58 -3.872660465e+00 -3.872660465e+00 2.60 -3.905136965e+00 -3.905136965e+00 2.62 -3.931098582e+00 -3.931098582e+00 2.64 -3.951441435e+00 -3.951441435e+00 2.66 -3.966956638e+00 -3.966956638e+00 2.68 -3.978273600e+00 -3.978273600e+00 2.70 -3.985777044e+00 -3.985777044e+00 2.72 -3.989699799e+00 -3.989699799e+00 2.74 -3.990158977e+00 -3.990158977e+00 2.76 -3.987310090e+00 -3.987310090e+00 2.78 -3.982271737e+00 -3.982271737e+00 2.80 -3.974913531e+00 -3.974913531e+00 2.82 -3.964828110e+00 -3.964828110e+00 2.84 -3.951697990e+00 -3.951697990e+00 2.86 -3.935284964e+00 -3.935284964e+00 2.88 -3.915420156e+00 -3.915420156e+00 2.90 -3.891995709e+00 -3.891995709e+00 2.92 -3.864959096e+00 -3.864959096e+00 2.94 -3.834314033e+00 -3.834314033e+00 2.96 -3.800141881e+00 -3.800141881e+00 2.98 -3.762592627e+00 -3.762592627e+00 3.00 -3.721878034e+00 -3.721878034e+00 3.02 -3.678275618e+00 -3.678275618e+00 3.04 -3.632125365e+00 -3.632125365e+00 3.06 -3.583816660e+00 -3.583816660e+00 3.08 -3.533764984e+00 -3.533764984e+00 3.10 -3.482383152e+00 -3.482383152e+00 3.12 -3.430052445e+00 -3.430052445e+00 3.14 -3.377100264e+00 -3.377100264e+00 3.16 -3.323787368e+00 -3.323787368e+00 3.18 -3.270306161e+00 -3.270306161e+00 3.20 -3.216787224e+00 -3.216787224e+00 3.22 -3.163310952e+00 -3.163310952e+00 3.24 -3.109920892e+00 -3.109920892e+00 3.26 -3.056636243e+00 -3.056636243e+00 3.28 -3.003462136e+00 -3.003462136e+00 3.30 -2.950397274e+00 -2.950397274e+00 3.32 -2.897439128e+00 -2.897439128e+00 3.34 -2.844587242e+00 -2.844587242e+00 3.36 -2.791845238e+00 -2.791845238e+00 3.38 -2.739222056e+00 -2.739222056e+00 3.40 -2.686732811e+00 -2.686732811e+00 3.42 -2.634399567e+00 -2.634399567e+00 3.44 -2.582251873e+00 -2.582251873e+00 3.46 -2.530327336e+00 -2.530327336e+00 3.48 -2.478671824e+00 -2.478671824e+00 3.50 -2.427339168e+00 -2.427339168e+00 3.52 -2.376390108e+00 -2.376390108e+00 3.54 -2.325890314e+00 -2.325890314e+00 3.56 -2.275907455e+00 -2.275907455e+00 3.58 -2.226507568e+00 -2.226507568e+00 3.60 -2.177751216e+00 -2.177751216e+00 3.62 -2.129690033e+00 -2.129690033e+00 3.64 -2.082364260e+00 -2.082364260e+00 3.66 -2.035801593e+00 -2.035801593e+00 3.68 -1.990017366e+00 -1.990017366e+00 3.70 -1.945015817e+00 -1.945015817e+00 3.72 -1.900791995e+00 -1.900791995e+00 3.74 -1.857333890e+00 -1.857333890e+00 3.76 -1.814624431e+00 -1.814624431e+00 3.78 -1.772643166e+00 -1.772643166e+00 3.80 -1.731367531e+00 -1.731367531e+00 3.82 -1.690773740e+00 -1.690773740e+00 3.84 -1.650837360e+00 -1.650837360e+00 3.86 -1.611533654e+00 -1.611533654e+00 3.88 -1.572837777e+00 -1.572837777e+00 3.90 -1.534724881e+00 -1.534724881e+00 3.92 -1.497170150e+00 -1.497170150e+00 3.94 -1.460148938e+00 -1.460148938e+00 3.96 -1.423636629e+00 -1.423636629e+00 3.98 -1.387608787e+00 -1.387608787e+00 4.00 -1.352041175e+00 -1.352041175e+00 4.02 -1.316909870e+00 -1.316909870e+00 4.04 -1.282191480e+00 -1.282191480e+00 4.06 -1.247863514e+00 -1.247863514e+00 4.08 -1.213904965e+00 -1.213904965e+00 4.10 -1.180297072e+00 -1.180297072e+00 4.12 -1.147024771e+00 -1.147024771e+00 4.14 -1.114077566e+00 -1.114077566e+00 4.16 -1.081451488e+00 -1.081451488e+00 4.18 -1.049150680e+00 -1.049150680e+00 4.20 -1.017188971e+00 -1.017188971e+00 4.22 -9.855911000e-01 -9.855911000e-01 4.24 -9.543933321e-01 -9.543933321e-01 4.26 -9.236431861e-01 -9.236431861e-01 4.28 -8.933981058e-01 -8.933981058e-01 4.30 -8.637230036e-01 -8.637230036e-01 4.32 -8.346867891e-01 -8.346867891e-01 4.34 -8.063581716e-01 -8.063581716e-01 4.36 -7.788011691e-01 -7.788011691e-01 4.38 -7.520708292e-01 -7.520708292e-01 4.40 -7.262096417e-01 -7.262096417e-01 4.42 -7.012450075e-01 -7.012450075e-01 4.44 -6.771879527e-01 -6.771879527e-01 4.46 -6.540330884e-01 -6.540330884e-01 4.48 -6.317596495e-01 -6.317596495e-01 4.50 -6.103333420e-01 -6.103333420e-01 4.52 -5.897086826e-01 -5.897086826e-01 4.54 -5.698315342e-01 -5.698315342e-01 4.56 -5.506415938e-01 -5.506415938e-01 4.58 -5.320746678e-01 -5.320746678e-01 4.60 -5.140646437e-01 -5.140646437e-01 4.62 -4.965451358e-01 -4.965451358e-01 4.64 -4.794508318e-01 -4.794508318e-01 4.66 -4.627185974e-01 -4.627185974e-01 4.68 -4.462884139e-01 -4.462884139e-01 4.70 -4.301042264e-01 -4.301042264e-01 4.72 -4.141147712e-01 -4.141147712e-01 4.74 -3.982744394e-01 -3.982744394e-01 4.76 -3.825442083e-01 -3.825442083e-01 4.78 -3.668926507e-01 -3.668926507e-01 4.80 -3.512969471e-01 -3.512969471e-01 4.82 -3.357441607e-01 -3.357441607e-01 4.84 -3.202318828e-01 -3.202318828e-01 4.86 -3.047692370e-01 -3.047692370e-01 4.88 -2.893772571e-01 -2.893772571e-01 4.90 -2.740888514e-01 -2.740888514e-01 4.92 -2.589481746e-01 -2.589481746e-01 4.94 -2.440093288e-01 -2.440093288e-01 4.96 -2.293343779e-01 -2.293343779e-01 4.98 -2.149907401e-01 -2.149907401e-01 5.00 -2.010481064e-01 -2.010481064e-01 5.02 -1.875751045e-01 -1.875751045e-01 5.04 -1.746359745e-01 -1.746359745e-01 5.06 -1.622875323e-01 -1.622875323e-01 5.08 -1.505766687e-01 -1.505766687e-01 5.10 -1.395385655e-01 -1.395385655e-01 5.12 -1.291957263e-01 -1.291957263e-01 5.14 -1.195578249e-01 -1.195578249e-01 5.16 -1.106222914e-01 -1.106222914e-01 5.18 -1.023754945e-01 -1.023754945e-01 5.20 -9.479434335e-02 -9.479434335e-02 5.22 -8.784812379e-02 -8.784812379e-02 5.24 -8.150040215e-02 -8.150040215e-02 5.26 -7.571085719e-02 -7.571085719e-02 5.28 -7.043694121e-02 -7.043694121e-02 5.30 -6.563530642e-02 -6.563530642e-02 5.32 -6.126297190e-02 -6.126297190e-02 5.34 -5.727822947e-02 -5.727822947e-02 5.36 -5.364130471e-02 -5.364130471e-02 5.38 -5.031459051e-02 -5.031459051e-02 5.40 -4.726324246e-02 -4.726324246e-02 5.42 -4.445553680e-02 -4.445553680e-02 5.44 -4.186250136e-02 -4.186250136e-02 5.46 -3.945782312e-02 -3.945782312e-02 5.48 -3.721778872e-02 -3.721778872e-02 5.50 -3.512118058e-02 -3.512118058e-02 5.52 -3.314915091e-02 -3.314915091e-02 5.54 -3.128509031e-02 -3.128509031e-02 5.56 -2.951449879e-02 -2.951449879e-02 5.58 -2.782486977e-02 -2.782486977e-02 5.60 -2.620558816e-02 -2.620558816e-02 5.62 -2.464784038e-02 -2.464784038e-02 5.64 -2.314453344e-02 -2.314453344e-02 5.66 -2.169021709e-02 -2.169021709e-02 5.68 -2.028100127e-02 -2.028100127e-02 5.70 -1.891446063e-02 -1.891446063e-02 5.72 -1.758951755e-02 -1.758951755e-02 5.74 -1.630629725e-02 -1.630629725e-02 5.76 -1.506594873e-02 -1.506594873e-02 5.78 -1.387027378e-02 -1.387027378e-02 5.80 -1.272178073e-02 -1.272178073e-02 5.82 -1.162342866e-02 -1.162342866e-02 5.84 -1.057823318e-02 -1.057823318e-02 5.86 -9.589016703e-03 -9.589016703e-03 5.88 -8.658186422e-03 -8.658186422e-03 5.90 -7.787554224e-03 -7.787554224e-03 5.92 -6.978208713e-03 -6.978208713e-03 5.94 -6.230444353e-03 -6.230444353e-03 5.96 -5.543747033e-03 -5.543747033e-03 5.98 -4.916830268e-03 -4.916830268e-03 6.00 -4.347712429e-03 -4.347712429e-03