# 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 = Al2NiPb # 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 1.566815159e+02 1.566815159e+02 1.30 1.459956052e+02 1.459956052e+02 1.32 1.360559109e+02 1.360559109e+02 1.34 1.268047467e+02 1.268047467e+02 1.36 1.181890350e+02 1.181890350e+02 1.38 1.101600682e+02 1.101600682e+02 1.40 1.026734703e+02 1.026734703e+02 1.42 9.568896585e+01 9.568896585e+01 1.44 8.916984332e+01 8.916984332e+01 1.46 8.308238149e+01 8.308238149e+01 1.48 7.739555220e+01 7.739555220e+01 1.50 7.208089947e+01 7.208089947e+01 1.52 6.711233998e+01 6.711233998e+01 1.54 6.246578341e+01 6.246578341e+01 1.56 5.811868595e+01 5.811868595e+01 1.58 5.404971397e+01 5.404971397e+01 1.60 5.023867546e+01 5.023867546e+01 1.62 4.666785426e+01 4.666785426e+01 1.64 4.332621461e+01 4.332621461e+01 1.66 4.019911670e+01 4.019911670e+01 1.68 3.727527524e+01 3.727527524e+01 1.70 3.454239231e+01 3.454239231e+01 1.72 3.198827849e+01 3.198827849e+01 1.74 2.960143681e+01 2.960143681e+01 1.76 2.737086185e+01 2.737086185e+01 1.78 2.528596490e+01 2.528596490e+01 1.80 2.333665916e+01 2.333665916e+01 1.82 2.151355560e+01 2.151355560e+01 1.84 1.980812432e+01 1.980812432e+01 1.86 1.821270077e+01 1.821270077e+01 1.88 1.672034904e+01 1.672034904e+01 1.90 1.532465141e+01 1.532465141e+01 1.92 1.401952896e+01 1.401952896e+01 1.94 1.279914645e+01 1.279914645e+01 1.96 1.165791343e+01 1.165791343e+01 1.98 1.059054918e+01 1.059054918e+01 2.00 9.592152540e+00 9.592152540e+00 2.02 8.658236729e+00 8.658236729e+00 2.04 7.784716660e+00 7.784716660e+00 2.06 6.967862902e+00 6.967862902e+00 2.08 6.204239811e+00 6.204239811e+00 2.10 5.490648440e+00 5.490648440e+00 2.12 4.824080537e+00 4.824080537e+00 2.14 4.201690576e+00 4.201690576e+00 2.16 3.620785117e+00 3.620785117e+00 2.18 3.078825193e+00 3.078825193e+00 2.20 2.573432978e+00 2.573432978e+00 2.22 2.102397558e+00 2.102397558e+00 2.24 1.663670733e+00 1.663670733e+00 2.26 1.255352403e+00 1.255352403e+00 2.28 8.756657985e-01 8.756657985e-01 2.30 5.229384458e-01 5.229384458e-01 2.32 1.955811444e-01 1.955811444e-01 2.34 -1.079150023e-01 -1.079150023e-01 2.36 -3.889769722e-01 -3.889769722e-01 2.38 -6.489400799e-01 -6.489400799e-01 2.40 -8.890408134e-01 -8.890408134e-01 2.42 -1.110418580e+00 -1.110418580e+00 2.44 -1.314128904e+00 -1.314128904e+00 2.46 -1.501164153e+00 -1.501164153e+00 2.48 -1.672475332e+00 -1.672475332e+00 2.50 -1.828989128e+00 -1.828989128e+00 2.52 -1.971618762e+00 -1.971618762e+00 2.54 -2.101268892e+00 -2.101268892e+00 2.56 -2.218839568e+00 -2.218839568e+00 2.58 -2.325231092e+00 -2.325231092e+00 2.60 -2.421342146e+00 -2.421342146e+00 2.62 -2.508058729e+00 -2.508058729e+00 2.64 -2.586234967e+00 -2.586234967e+00 2.66 -2.656664223e+00 -2.656664223e+00 2.68 -2.720049422e+00 -2.720049422e+00 2.70 -2.776930185e+00 -2.776930185e+00 2.72 -2.828650587e+00 -2.828650587e+00 2.74 -2.875750328e+00 -2.875750328e+00 2.76 -2.918133265e+00 -2.918133265e+00 2.78 -2.955743333e+00 -2.955743333e+00 2.80 -2.988555883e+00 -2.988555883e+00 2.82 -3.016567766e+00 -3.016567766e+00 2.84 -3.039791282e+00 -3.039791282e+00 2.86 -3.058249765e+00 -3.058249765e+00 2.88 -3.071976586e+00 -3.071976586e+00 2.90 -3.081024163e+00 -3.081024163e+00 2.92 -3.085479970e+00 -3.085479970e+00 2.94 -3.085451974e+00 -3.085451974e+00 2.96 -3.081073616e+00 -3.081073616e+00 2.98 -3.072513028e+00 -3.072513028e+00 3.00 -3.059981720e+00 -3.059981720e+00 3.02 -3.043740573e+00 -3.043740573e+00 3.04 -3.024100101e+00 -3.024100101e+00 3.06 -3.001416549e+00 -3.001416549e+00 3.08 -2.976074303e+00 -2.976074303e+00 3.10 -2.948469112e+00 -2.948469112e+00 3.12 -2.918985255e+00 -2.918985255e+00 3.14 -2.887978513e+00 -2.887978513e+00 3.16 -2.855758734e+00 -2.855758734e+00 3.18 -2.822586346e+00 -2.822586346e+00 3.20 -2.788691450e+00 -2.788691450e+00 3.22 -2.754231535e+00 -2.754231535e+00 3.24 -2.719311183e+00 -2.719311183e+00 3.26 -2.684005289e+00 -2.684005289e+00 3.28 -2.648365581e+00 -2.648365581e+00 3.30 -2.612426482e+00 -2.612426482e+00 3.32 -2.576210208e+00 -2.576210208e+00 3.34 -2.539731098e+00 -2.539731098e+00 3.36 -2.502999218e+00 -2.502999218e+00 3.38 -2.466023239e+00 -2.466023239e+00 3.40 -2.428812177e+00 -2.428812177e+00 3.42 -2.391374686e+00 -2.391374686e+00 3.44 -2.353719830e+00 -2.353719830e+00 3.46 -2.315861279e+00 -2.315861279e+00 3.48 -2.277816985e+00 -2.277816985e+00 3.50 -2.239608750e+00 -2.239608750e+00 3.52 -2.201261630e+00 -2.201261630e+00 3.54 -2.162803305e+00 -2.162803305e+00 3.56 -2.124263485e+00 -2.124263485e+00 3.58 -2.085673393e+00 -2.085673393e+00 3.60 -2.047065351e+00 -2.047065351e+00 3.62 -2.008472448e+00 -2.008472448e+00 3.64 -1.969928277e+00 -1.969928277e+00 3.66 -1.931466700e+00 -1.931466700e+00 3.68 -1.893121620e+00 -1.893121620e+00 3.70 -1.854926743e+00 -1.854926743e+00 3.72 -1.816915334e+00 -1.816915334e+00 3.74 -1.779119960e+00 -1.779119960e+00 3.76 -1.741572260e+00 -1.741572260e+00 3.78 -1.704302746e+00 -1.704302746e+00 3.80 -1.667340651e+00 -1.667340651e+00 3.82 -1.630713780e+00 -1.630713780e+00 3.84 -1.594448311e+00 -1.594448311e+00 3.86 -1.558568455e+00 -1.558568455e+00 3.88 -1.523095893e+00 -1.523095893e+00 3.90 -1.488048991e+00 -1.488048991e+00 3.92 -1.453441492e+00 -1.453441492e+00 3.94 -1.419282911e+00 -1.419282911e+00 3.96 -1.385575455e+00 -1.385575455e+00 3.98 -1.352315042e+00 -1.352315042e+00 4.00 -1.319490803e+00 -1.319490803e+00 4.02 -1.287085489e+00 -1.287085489e+00 4.04 -1.255076370e+00 -1.255076370e+00 4.06 -1.223436516e+00 -1.223436516e+00 4.08 -1.192136389e+00 -1.192136389e+00 4.10 -1.161144571e+00 -1.161144571e+00 4.12 -1.130434159e+00 -1.130434159e+00 4.14 -1.099977777e+00 -1.099977777e+00 4.16 -1.069754534e+00 -1.069754534e+00 4.18 -1.039750706e+00 -1.039750706e+00 4.20 -1.009961562e+00 -1.009961562e+00 4.22 -9.803928580e-01 -9.803928580e-01 4.24 -9.510618442e-01 -9.510618442e-01 4.26 -9.219975849e-01 -9.219975849e-01 4.28 -8.932404513e-01 -8.932404513e-01 4.30 -8.648407111e-01 -8.648407111e-01 4.32 -8.368562559e-01 -8.368562559e-01 4.34 -8.093496291e-01 -8.093496291e-01 4.36 -7.823846291e-01 -7.823846291e-01 4.38 -7.560228245e-01 -7.560228245e-01 4.40 -7.303203192e-01 -7.303203192e-01 4.42 -7.053250435e-01 -7.053250435e-01 4.44 -6.810747339e-01 -6.810747339e-01 4.46 -6.575956490e-01 -6.575956490e-01 4.48 -6.349019647e-01 -6.349019647e-01 4.50 -6.129957346e-01 -6.129957346e-01 4.52 -5.918672870e-01 -5.918672870e-01 4.54 -5.714959484e-01 -5.714959484e-01 4.56 -5.518510194e-01 -5.518510194e-01 4.58 -5.328929540e-01 -5.328929540e-01 4.60 -5.145747145e-01 -5.145747145e-01 4.62 -4.968432701e-01 -4.968432701e-01 4.64 -4.796412042e-01 -4.796412042e-01 4.66 -4.629083873e-01 -4.629083873e-01 4.68 -4.465836696e-01 -4.465836696e-01 4.70 -4.306065567e-01 -4.306065567e-01 4.72 -4.149188388e-01 -4.149188388e-01 4.74 -3.994661601e-01 -3.994661601e-01 4.76 -3.841995192e-01 -3.841995192e-01 4.78 -3.690766966e-01 -3.690766966e-01 4.80 -3.540628795e-01 -3.540628795e-01 4.82 -3.391348531e-01 -3.391348531e-01 4.84 -3.242774190e-01 -3.242774190e-01 4.86 -3.094874374e-01 -3.094874374e-01 4.88 -2.947734633e-01 -2.947734633e-01 4.90 -2.801557977e-01 -2.801557977e-01 4.92 -2.656660167e-01 -2.656660167e-01 4.94 -2.513459124e-01 -2.513459124e-01 4.96 -2.372458290e-01 -2.372458290e-01 4.98 -2.234224355e-01 -2.234224355e-01 5.00 -2.099360489e-01 -2.099360489e-01 5.02 -1.968476802e-01 -1.968476802e-01 5.04 -1.842160271e-01 -1.842160271e-01 5.06 -1.720946499e-01 -1.720946499e-01 5.08 -1.605295545e-01 -1.605295545e-01 5.10 -1.495573604e-01 -1.495573604e-01 5.12 -1.392041578e-01 -1.392041578e-01 5.14 -1.294850837e-01 -1.294850837e-01 5.16 -1.204045686e-01 -1.204045686e-01 5.18 -1.119571429e-01 -1.119571429e-01 5.20 -1.041286610e-01 -1.041286610e-01 5.22 -9.689777942e-02 -9.689777942e-02 5.24 -9.023753286e-02 -9.023753286e-02 5.26 -8.411689746e-02 -8.411689746e-02 5.28 -7.850222828e-02 -7.850222828e-02 5.30 -7.335850493e-02 -7.335850493e-02 5.32 -6.865036320e-02 -6.865036320e-02 5.34 -6.434291076e-02 -6.434291076e-02 5.36 -6.040232836e-02 -6.040232836e-02 5.38 -5.679574560e-02 -5.679574560e-02 5.40 -5.349274540e-02 -5.349274540e-02 5.42 -5.046517008e-02 -5.046517008e-02 5.44 -4.768664294e-02 -4.768664294e-02 5.46 -4.513252313e-02 -4.513252313e-02 5.48 -4.278033071e-02 -4.278033071e-02 5.50 -4.060947108e-02 -4.060947108e-02 5.52 -3.860109662e-02 -3.860109662e-02 5.54 -3.673803379e-02 -3.673803379e-02 5.56 -3.500469204e-02 -3.500469204e-02 5.58 -3.338696254e-02 -3.338696254e-02 5.60 -3.187211247e-02 -3.187211247e-02 5.62 -3.044867870e-02 -3.044867870e-02 5.64 -2.910636261e-02 -2.910636261e-02 5.66 -2.783593122e-02 -2.783593122e-02 5.68 -2.662912376e-02 -2.662912376e-02 5.70 -2.547856540e-02 -2.547856540e-02 5.72 -2.437768913e-02 -2.437768913e-02 5.74 -2.332066610e-02 -2.332066610e-02 5.76 -2.230234488e-02 -2.230234488e-02 5.78 -2.131819924e-02 -2.131819924e-02 5.80 -2.036428438e-02 -2.036428438e-02 5.82 -1.943720076e-02 -1.943720076e-02 5.84 -1.853406488e-02 -1.853406488e-02 5.86 -1.765248553e-02 -1.765248553e-02 5.88 -1.679054451e-02 -1.679054451e-02 5.90 -1.594677978e-02 -1.594677978e-02 5.92 -1.512016953e-02 -1.512016953e-02 5.94 -1.431009789e-02 -1.431009789e-02 5.96 -1.351627259e-02 -1.351627259e-02 5.98 -1.273888361e-02 -1.273888361e-02 6.00 -1.197848541e-02 -1.197848541e-02