# 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 = Au2CuTi # 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 2.717111154e+02 2.717111154e+02 1.30 2.517074437e+02 2.517074437e+02 1.32 2.331908335e+02 2.331908335e+02 1.34 2.160465258e+02 2.160465258e+02 1.36 2.001661947e+02 2.001661947e+02 1.38 1.854478393e+02 1.854478393e+02 1.40 1.717974500e+02 1.717974500e+02 1.42 1.591298847e+02 1.591298847e+02 1.44 1.473683286e+02 1.473683286e+02 1.46 1.364430660e+02 1.364430660e+02 1.48 1.262904317e+02 1.262904317e+02 1.50 1.168522547e+02 1.168522547e+02 1.52 1.080754255e+02 1.080754255e+02 1.54 9.991122529e+01 9.991122529e+01 1.56 9.231451413e+01 9.231451413e+01 1.58 8.524309503e+01 8.524309503e+01 1.60 7.865748858e+01 7.865748858e+01 1.62 7.252105298e+01 7.252105298e+01 1.64 6.680011888e+01 6.680011888e+01 1.66 6.146392046e+01 6.146392046e+01 1.68 5.648442775e+01 5.648442775e+01 1.70 5.183623994e+01 5.183623994e+01 1.72 4.749648198e+01 4.749648198e+01 1.74 4.344608017e+01 4.344608017e+01 1.76 3.968666199e+01 3.968666199e+01 1.78 3.620489109e+01 3.620489109e+01 1.80 3.298140622e+01 3.298140622e+01 1.82 2.999775777e+01 2.999775777e+01 1.84 2.723639181e+01 2.723639181e+01 1.86 2.468079350e+01 2.468079350e+01 1.88 2.231568305e+01 2.231568305e+01 1.90 2.012711440e+01 2.012711440e+01 1.92 1.810242761e+01 1.810242761e+01 1.94 1.623006921e+01 1.623006921e+01 1.96 1.449934595e+01 1.449934595e+01 1.98 1.290020621e+01 1.290020621e+01 2.00 1.142313071e+01 1.142313071e+01 2.02 1.005914099e+01 1.005914099e+01 2.04 8.799861713e+00 8.799861713e+00 2.06 7.637564058e+00 7.637564058e+00 2.08 6.565161654e+00 6.565161654e+00 2.10 5.576169966e+00 5.576169966e+00 2.12 4.664647063e+00 4.664647063e+00 2.14 3.825127517e+00 3.825127517e+00 2.16 3.052555832e+00 3.052555832e+00 2.18 2.342226178e+00 2.342226178e+00 2.20 1.689735135e+00 1.689735135e+00 2.22 1.090952062e+00 1.090952062e+00 2.24 5.420090853e-01 5.420090853e-01 2.26 3.930648313e-02 3.930648313e-02 2.28 -4.204779836e-01 -4.204779836e-01 2.30 -8.403900108e-01 -8.403900108e-01 2.32 -1.223220028e+00 -1.223220028e+00 2.34 -1.571540715e+00 -1.571540715e+00 2.36 -1.887746894e+00 -1.887746894e+00 2.38 -2.174084660e+00 -2.174084660e+00 2.40 -2.432665875e+00 -2.432665875e+00 2.42 -2.665473314e+00 -2.665473314e+00 2.44 -2.874364117e+00 -2.874364117e+00 2.46 -3.061076841e+00 -3.061076841e+00 2.48 -3.227242869e+00 -3.227242869e+00 2.50 -3.374400295e+00 -3.374400295e+00 2.52 -3.504007408e+00 -3.504007408e+00 2.54 -3.617453289e+00 -3.617453289e+00 2.56 -3.716064042e+00 -3.716064042e+00 2.58 -3.801107969e+00 -3.801107969e+00 2.60 -3.873840504e+00 -3.873840504e+00 2.62 -3.935346722e+00 -3.935346722e+00 2.64 -3.986607231e+00 -3.986607231e+00 2.66 -4.028526108e+00 -4.028526108e+00 2.68 -4.061923635e+00 -4.061923635e+00 2.70 -4.087535326e+00 -4.087535326e+00 2.72 -4.106021742e+00 -4.106021742e+00 2.74 -4.118095813e+00 -4.118095813e+00 2.76 -4.124317774e+00 -4.124317774e+00 2.78 -4.124831982e+00 -4.124831982e+00 2.80 -4.119615085e+00 -4.119615085e+00 2.82 -4.108709694e+00 -4.108709694e+00 2.84 -4.092212338e+00 -4.092212338e+00 2.86 -4.070265419e+00 -4.070265419e+00 2.88 -4.043052236e+00 -4.043052236e+00 2.90 -4.010789751e+00 -4.010789751e+00 2.92 -3.973728121e+00 -3.973728121e+00 2.94 -3.932168205e+00 -3.932168205e+00 2.96 -3.886441007e+00 -3.886441007e+00 2.98 -3.836904115e+00 -3.836904115e+00 3.00 -3.783940759e+00 -3.783940759e+00 3.02 -3.727956758e+00 -3.727956758e+00 3.04 -3.669373641e+00 -3.669373641e+00 3.06 -3.608617302e+00 -3.608617302e+00 3.08 -3.546102527e+00 -3.546102527e+00 3.10 -3.482216794e+00 -3.482216794e+00 3.12 -3.417306095e+00 -3.417306095e+00 3.14 -3.351666026e+00 -3.351666026e+00 3.16 -3.285538701e+00 -3.285538701e+00 3.18 -3.219115674e+00 -3.219115674e+00 3.20 -3.152544555e+00 -3.152544555e+00 3.22 -3.085937551e+00 -3.085937551e+00 3.24 -3.019380237e+00 -3.019380237e+00 3.26 -2.952939457e+00 -2.952939457e+00 3.28 -2.886669895e+00 -2.886669895e+00 3.30 -2.820619210e+00 -2.820619210e+00 3.32 -2.754831862e+00 -2.754831862e+00 3.34 -2.689351842e+00 -2.689351842e+00 3.36 -2.624224508e+00 -2.624224508e+00 3.38 -2.559497734e+00 -2.559497734e+00 3.40 -2.495222532e+00 -2.495222532e+00 3.42 -2.431453402e+00 -2.431453402e+00 3.44 -2.368248322e+00 -2.368248322e+00 3.46 -2.305668741e+00 -2.305668741e+00 3.48 -2.243779331e+00 -2.243779331e+00 3.50 -2.182647449e+00 -2.182647449e+00 3.52 -2.122342103e+00 -2.122342103e+00 3.54 -2.062932247e+00 -2.062932247e+00 3.56 -2.004484323e+00 -2.004484323e+00 3.58 -1.947059276e+00 -1.947059276e+00 3.60 -1.890709453e+00 -1.890709453e+00 3.62 -1.835476011e+00 -1.835476011e+00 3.64 -1.781387395e+00 -1.781387395e+00 3.66 -1.728459230e+00 -1.728459230e+00 3.68 -1.676695630e+00 -1.676695630e+00 3.70 -1.626091627e+00 -1.626091627e+00 3.72 -1.576636237e+00 -1.576636237e+00 3.74 -1.528315630e+00 -1.528315630e+00 3.76 -1.481115956e+00 -1.481115956e+00 3.78 -1.435025492e+00 -1.435025492e+00 3.80 -1.390035901e+00 -1.390035901e+00 3.82 -1.346142533e+00 -1.346142533e+00 3.84 -1.303343812e+00 -1.303343812e+00 3.86 -1.261639864e+00 -1.261639864e+00 3.88 -1.221030665e+00 -1.221030665e+00 3.90 -1.181514017e+00 -1.181514017e+00 3.92 -1.143083686e+00 -1.143083686e+00 3.94 -1.105728085e+00 -1.105728085e+00 3.96 -1.069429358e+00 -1.069429358e+00 3.98 -1.034163363e+00 -1.034163363e+00 4.00 -9.999001175e-01 -9.999001175e-01 4.02 -9.666047307e-01 -9.666047307e-01 4.04 -9.342386054e-01 -9.342386054e-01 4.06 -9.027607667e-01 -9.027607667e-01 4.08 -8.721291918e-01 -8.721291918e-01 4.10 -8.423020087e-01 -8.423020087e-01 4.12 -8.132389213e-01 -8.132389213e-01 4.14 -7.849018468e-01 -7.849018468e-01 4.16 -7.572561630e-01 -7.572561630e-01 4.18 -7.302714847e-01 -7.302714847e-01 4.20 -7.039224066e-01 -7.039224066e-01 4.22 -6.781891083e-01 -6.781891083e-01 4.24 -6.530577760e-01 -6.530577760e-01 4.26 -6.285207927e-01 -6.285207927e-01 4.28 -6.045766478e-01 -6.045766478e-01 4.30 -5.812295331e-01 -5.812295331e-01 4.32 -5.584886207e-01 -5.584886207e-01 4.34 -5.363670443e-01 -5.363670443e-01 4.36 -5.148806383e-01 -5.148806383e-01 4.38 -4.940465113e-01 -4.940465113e-01 4.40 -4.738815415e-01 -4.738815415e-01 4.42 -4.544008832e-01 -4.544008832e-01 4.44 -4.356165710e-01 -4.356165710e-01 4.46 -4.175362966e-01 -4.175362966e-01 4.48 -4.001624266e-01 -4.001624266e-01 4.50 -3.834913168e-01 -3.834913168e-01 4.52 -3.675129615e-01 -3.675129615e-01 4.54 -3.522109958e-01 -3.522109958e-01 4.56 -3.375630410e-01 -3.375630410e-01 4.58 -3.235413526e-01 -3.235413526e-01 4.60 -3.101137096e-01 -3.101137096e-01 4.62 -2.972444652e-01 -2.972444652e-01 4.64 -2.848956762e-01 -2.848956762e-01 4.66 -2.730282396e-01 -2.730282396e-01 4.68 -2.616029748e-01 -2.616029748e-01 4.70 -2.505816164e-01 -2.505816164e-01 4.72 -2.399276958e-01 -2.399276958e-01 4.74 -2.296073094e-01 -2.296073094e-01 4.76 -2.195897784e-01 -2.195897784e-01 4.78 -2.098482103e-01 -2.098482103e-01 4.80 -2.003599263e-01 -2.003599263e-01 4.82 -1.911070160e-01 -1.911070160e-01 4.84 -1.820763428e-01 -1.820763428e-01 4.86 -1.732598996e-01 -1.732598996e-01 4.88 -1.646547814e-01 -1.646547814e-01 4.90 -1.562630365e-01 -1.562630365e-01 4.92 -1.480913209e-01 -1.480913209e-01 4.94 -1.401503365e-01 -1.401503365e-01 4.96 -1.324540497e-01 -1.324540497e-01 4.98 -1.250187115e-01 -1.250187115e-01 5.00 -1.178617216e-01 -1.178617216e-01 5.02 -1.110004055e-01 -1.110004055e-01 5.04 -1.044507892e-01 -1.044507892e-01 5.06 -9.822646857e-02 -9.822646857e-02 5.08 -9.233765931e-02 -9.233765931e-02 5.10 -8.679050292e-02 -8.679050292e-02 5.12 -8.158666963e-02 -8.158666963e-02 5.14 -7.672327132e-02 -7.672327132e-02 5.16 -7.219306246e-02 -7.219306246e-02 5.18 -6.798487794e-02 -6.798487794e-02 5.20 -6.408422510e-02 -6.408422510e-02 5.22 -6.047381057e-02 -6.047381057e-02 5.24 -5.713479071e-02 -5.713479071e-02 5.26 -5.404714924e-02 -5.404714924e-02 5.28 -5.119024353e-02 -5.119024353e-02 5.30 -4.854367866e-02 -4.854367866e-02 5.32 -4.608746439e-02 -4.608746439e-02 5.34 -4.380236359e-02 -4.380236359e-02 5.36 -4.167015182e-02 -4.167015182e-02 5.38 -3.967378183e-02 -3.967378183e-02 5.40 -3.779747206e-02 -3.779747206e-02 5.42 -3.602673768e-02 -3.602673768e-02 5.44 -3.434838119e-02 -3.434838119e-02 5.46 -3.275045739e-02 -3.275045739e-02 5.48 -3.122222467e-02 -3.122222467e-02 5.50 -2.975409255e-02 -2.975409255e-02 5.52 -2.833757230e-02 -2.833757230e-02 5.54 -2.696523601e-02 -2.696523601e-02 5.56 -2.563068612e-02 -2.563068612e-02 5.58 -2.432853715e-02 -2.432853715e-02 5.60 -2.305440796e-02 -2.305440796e-02 5.62 -2.180492154e-02 -2.180492154e-02 5.64 -2.057770758e-02 -2.057770758e-02 5.66 -1.937140131e-02 -1.937140131e-02 5.68 -1.818563134e-02 -1.818563134e-02 5.70 -1.702098829e-02 -1.702098829e-02 5.72 -1.587896697e-02 -1.587896697e-02 5.74 -1.476187587e-02 -1.476187587e-02 5.76 -1.367270829e-02 -1.367270829e-02 5.78 -1.261484051e-02 -1.261484051e-02 5.80 -1.159209885e-02 -1.159209885e-02 5.82 -1.060852996e-02 -1.060852996e-02 5.84 -9.668071359e-03 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