# 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 = AlFeTa2 # 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 2.471412545e+02 2.471412545e+02 1.30 2.284130959e+02 2.284130959e+02 1.32 2.111051928e+02 2.111051928e+02 1.34 1.950976419e+02 1.950976419e+02 1.36 1.802822361e+02 1.802822361e+02 1.38 1.665625160e+02 1.665625160e+02 1.40 1.538526221e+02 1.538526221e+02 1.42 1.420754733e+02 1.420754733e+02 1.44 1.311608464e+02 1.311608464e+02 1.46 1.210438727e+02 1.210438727e+02 1.48 1.116641944e+02 1.116641944e+02 1.50 1.029655096e+02 1.029655096e+02 1.52 9.489516151e+01 9.489516151e+01 1.54 8.740384988e+01 8.740384988e+01 1.56 8.044571982e+01 8.044571982e+01 1.58 7.397876533e+01 7.397876533e+01 1.60 6.796517633e+01 6.796517633e+01 1.62 6.237131477e+01 6.237131477e+01 1.64 5.716728879e+01 5.716728879e+01 1.66 5.232630631e+01 5.232630631e+01 1.68 4.782401928e+01 4.782401928e+01 1.70 4.363797969e+01 4.363797969e+01 1.72 3.974722917e+01 3.974722917e+01 1.74 3.613200871e+01 3.613200871e+01 1.76 3.277358942e+01 3.277358942e+01 1.78 2.965422828e+01 2.965422828e+01 1.80 2.675744829e+01 2.675744829e+01 1.82 2.407467395e+01 2.407467395e+01 1.84 2.159407661e+01 2.159407661e+01 1.86 1.930145650e+01 1.930145650e+01 1.88 1.718361446e+01 1.718361446e+01 1.90 1.522824902e+01 1.522824902e+01 1.92 1.342508004e+01 1.342508004e+01 1.94 1.176303878e+01 1.176303878e+01 1.96 1.023110061e+01 1.023110061e+01 1.98 8.818722575e+00 8.818722575e+00 2.00 7.515954463e+00 7.515954463e+00 2.02 6.313563836e+00 6.313563836e+00 2.04 5.203149964e+00 5.203149964e+00 2.06 4.177223757e+00 4.177223757e+00 2.08 3.229229021e+00 3.229229021e+00 2.10 2.353491836e+00 2.353491836e+00 2.12 1.545107378e+00 1.545107378e+00 2.14 7.997922461e-01 7.997922461e-01 2.16 1.137345622e-01 1.137345622e-01 2.18 -5.165349982e-01 -5.165349982e-01 2.20 -1.094242813e+00 -1.094242813e+00 2.22 -1.622446359e+00 -1.622446359e+00 2.24 -2.104091518e+00 -2.104091518e+00 2.26 -2.542060002e+00 -2.542060002e+00 2.28 -2.939208025e+00 -2.939208025e+00 2.30 -3.298391691e+00 -3.298391691e+00 2.32 -3.622472252e+00 -3.622472252e+00 2.34 -3.914295721e+00 -3.914295721e+00 2.36 -4.176647335e+00 -4.176647335e+00 2.38 -4.412188839e+00 -4.412188839e+00 2.40 -4.623393103e+00 -4.623393103e+00 2.42 -4.812492353e+00 -4.812492353e+00 2.44 -4.981452108e+00 -4.981452108e+00 2.46 -5.131974730e+00 -5.131974730e+00 2.48 -5.265440823e+00 -5.265440823e+00 2.50 -5.382986777e+00 -5.382986777e+00 2.52 -5.486002408e+00 -5.486002408e+00 2.54 -5.575748766e+00 -5.575748766e+00 2.56 -5.653382535e+00 -5.653382535e+00 2.58 -5.719994915e+00 -5.719994915e+00 2.60 -5.776629956e+00 -5.776629956e+00 2.62 -5.824277168e+00 -5.824277168e+00 2.64 -5.863624909e+00 -5.863624909e+00 2.66 -5.894987399e+00 -5.894987399e+00 2.68 -5.918673042e+00 -5.918673042e+00 2.70 -5.934975718e+00 -5.934975718e+00 2.72 -5.944146847e+00 -5.944146847e+00 2.74 -5.946384424e+00 -5.946384424e+00 2.76 -5.941834761e+00 -5.941834761e+00 2.78 -5.930601939e+00 -5.930601939e+00 2.80 -5.912760915e+00 -5.912760915e+00 2.82 -5.888371552e+00 -5.888371552e+00 2.84 -5.857492096e+00 -5.857492096e+00 2.86 -5.820191123e+00 -5.820191123e+00 2.88 -5.776557359e+00 -5.776557359e+00 2.90 -5.726706849e+00 -5.726706849e+00 2.92 -5.670787157e+00 -5.670787157e+00 2.94 -5.608978554e+00 -5.608978554e+00 2.96 -5.541795358e+00 -5.541795358e+00 2.98 -5.469959761e+00 -5.469959761e+00 3.00 -5.393452352e+00 -5.393452352e+00 3.02 -5.312296191e+00 -5.312296191e+00 3.04 -5.226572022e+00 -5.226572022e+00 3.06 -5.136401895e+00 -5.136401895e+00 3.08 -5.041938774e+00 -5.041938774e+00 3.10 -4.943363858e+00 -4.943363858e+00 3.12 -4.840885583e+00 -4.840885583e+00 3.14 -4.734751417e+00 -4.734751417e+00 3.16 -4.625246262e+00 -4.625246262e+00 3.18 -4.512696787e+00 -4.512696787e+00 3.20 -4.397485318e+00 -4.397485318e+00 3.22 -4.280061784e+00 -4.280061784e+00 3.24 -4.160912663e+00 -4.160912663e+00 3.26 -4.040556412e+00 -4.040556412e+00 3.28 -3.919591481e+00 -3.919591481e+00 3.30 -3.798679732e+00 -3.798679732e+00 3.32 -3.678516363e+00 -3.678516363e+00 3.34 -3.559793330e+00 -3.559793330e+00 3.36 -3.443160233e+00 -3.443160233e+00 3.38 -3.329187252e+00 -3.329187252e+00 3.40 -3.218334458e+00 -3.218334458e+00 3.42 -3.110930732e+00 -3.110930732e+00 3.44 -3.007163922e+00 -3.007163922e+00 3.46 -2.907082179e+00 -2.907082179e+00 3.48 -2.810604940e+00 -2.810604940e+00 3.50 -2.717541107e+00 -2.717541107e+00 3.52 -2.627611667e+00 -2.627611667e+00 3.54 -2.540474157e+00 -2.540474157e+00 3.56 -2.455746962e+00 -2.455746962e+00 3.58 -2.373032036e+00 -2.373032036e+00 3.60 -2.291935345e+00 -2.291935345e+00 3.62 -2.212084772e+00 -2.212084772e+00 3.64 -2.133145563e+00 -2.133145563e+00 3.66 -2.054833499e+00 -2.054833499e+00 3.68 -1.976925927e+00 -1.976925927e+00 3.70 -1.899270651e+00 -1.899270651e+00 3.72 -1.821792433e+00 -1.821792433e+00 3.74 -1.744496713e+00 -1.744496713e+00 3.76 -1.667469997e+00 -1.667469997e+00 3.78 -1.590876393e+00 -1.590876393e+00 3.80 -1.514949950e+00 -1.514949950e+00 3.82 -1.439982753e+00 -1.439982753e+00 3.84 -1.366309224e+00 -1.366309224e+00 3.86 -1.294287513e+00 -1.294287513e+00 3.88 -1.224279343e+00 -1.224279343e+00 3.90 -1.156629914e+00 -1.156629914e+00 3.92 -1.091649543e+00 -1.091649543e+00 3.94 -1.029598519e+00 -1.029598519e+00 3.96 -9.706762023e-01 -9.706762023e-01 3.98 -9.150149589e-01 -9.150149589e-01 4.00 -8.626788707e-01 -8.626788707e-01 4.02 -8.136667309e-01 -8.136667309e-01 4.04 -7.679184817e-01 -7.679184817e-01 4.06 -7.253240774e-01 -7.253240774e-01 4.08 -6.857337383e-01 -6.857337383e-01 4.10 -6.489686551e-01 -6.489686551e-01 4.12 -6.148314723e-01 -6.148314723e-01 4.14 -5.831158018e-01 -5.831158018e-01 4.16 -5.536146889e-01 -5.536146889e-01 4.18 -5.261276175e-01 -5.261276175e-01 4.20 -5.004660573e-01 -5.004660573e-01 4.22 -4.764575226e-01 -4.764575226e-01 4.24 -4.539481726e-01 -4.539481726e-01 4.26 -4.328040123e-01 -4.328040123e-01 4.28 -4.129107878e-01 -4.129107878e-01 4.30 -3.941727142e-01 -3.941727142e-01 4.32 -3.765102471e-01 -3.765102471e-01 4.34 -3.598571425e-01 -3.598571425e-01 4.36 -3.441571338e-01 -3.441571338e-01 4.38 -3.293605625e-01 -3.293605625e-01 4.40 -3.154213123e-01 -3.154213123e-01 4.42 -3.022942650e-01 -3.022942650e-01 4.44 -2.899334005e-01 -2.899334005e-01 4.46 -2.782905561e-01 -2.782905561e-01 4.48 -2.673156152e-01 -2.673156152e-01 4.50 -2.569561991e-01 -2.569561991e-01 4.52 -2.471581844e-01 -2.471581844e-01 4.54 -2.378665229e-01 -2.378665229e-01 4.56 -2.290261269e-01 -2.290261269e-01 4.58 -2.205827163e-01 -2.205827163e-01 4.60 -2.124835628e-01 -2.124835628e-01 4.62 -2.046781105e-01 -2.046781105e-01 4.64 -1.971184541e-01 -1.971184541e-01 4.66 -1.897593518e-01 -1.897593518e-01 4.68 -1.825594854e-01 -1.825594854e-01 4.70 -1.754813025e-01 -1.754813025e-01 4.72 -1.684910212e-01 -1.684910212e-01 4.74 -1.615590150e-01 -1.615590150e-01 4.76 -1.546602095e-01 -1.546602095e-01 4.78 -1.477745039e-01 -1.477745039e-01 4.80 -1.408872070e-01 -1.408872070e-01 4.82 -1.339894987e-01 -1.339894987e-01 4.84 -1.270787831e-01 -1.270787831e-01 4.86 -1.201590029e-01 -1.201590029e-01 4.88 -1.132407521e-01 -1.132407521e-01 4.90 -1.063411617e-01 -1.063411617e-01 4.92 -9.948349345e-02 -9.948349345e-02 4.94 -9.269640489e-02 -9.269640489e-02 4.96 -8.601287978e-02 -8.601287978e-02 4.98 -7.946885574e-02 -7.946885574e-02 5.00 -7.310162146e-02 -7.310162146e-02 5.02 -6.694809048e-02 -6.694809048e-02 5.04 -6.104308163e-02 -6.104308163e-02 5.06 -5.541774218e-02 -5.541774218e-02 5.08 -5.009823757e-02 -5.009823757e-02 5.10 -4.510479582e-02 -4.510479582e-02 5.12 -4.045115677e-02 -4.045115677e-02 5.14 -3.614444871e-02 -3.614444871e-02 5.16 -3.218543471e-02 -3.218543471e-02 5.18 -2.856907897e-02 -2.856907897e-02 5.20 -2.528532250e-02 -2.528532250e-02 5.22 -2.231999169e-02 -2.231999169e-02 5.24 -1.965576370e-02 -1.965576370e-02 5.26 -1.727307975e-02 -1.727307975e-02 5.28 -1.515069378e-02 -1.515069378e-02 5.30 -1.326730537e-02 -1.326730537e-02 5.32 -1.160172558e-02 -1.160172558e-02 5.34 -1.013319588e-02 -1.013319588e-02 5.36 -8.841799370e-03 -8.841799370e-03 5.38 -7.708747300e-03 -7.708747300e-03 5.40 -6.716560338e-03 -6.716560338e-03 5.42 -5.849164696e-03 -5.849164696e-03 5.44 -5.091922014e-03 -5.091922014e-03 5.46 -4.431609847e-03 -4.431609847e-03 5.48 -3.856367083e-03 -3.856367083e-03 5.50 -3.355615989e-03 -3.355615989e-03 5.52 -2.919970134e-03 -2.919970134e-03 5.54 -2.541135259e-03 -2.541135259e-03 5.56 -2.211808313e-03 -2.211808313e-03 5.58 -1.925578369e-03 -1.925578369e-03 5.60 -1.676831929e-03 -1.676831929e-03 5.62 -1.460664204e-03 -1.460664204e-03 5.64 -1.272797252e-03 -1.272797252e-03 5.66 -1.109505347e-03 -1.109505347e-03 5.68 -9.675476151e-04 -9.675476151e-04 5.70 -8.441076797e-04 -8.441076797e-04 5.72 -7.367399608e-04 -7.367399608e-04 5.74 -6.433221335e-04 -6.433221335e-04 5.76 -5.620132283e-04 -5.620132283e-04 5.78 -4.912168415e-04 -4.912168415e-04 5.80 -4.295489276e-04 -4.295489276e-04 5.82 -3.758096764e-04 -3.758096764e-04 5.84 -3.289590069e-04 -3.289590069e-04 5.86 -2.880952512e-04 -2.880952512e-04 5.88 -2.524366381e-04 -2.524366381e-04 5.90 -2.213052282e-04 -2.213052282e-04 5.92 -1.941129884e-04 -1.941129884e-04 5.94 -1.703497299e-04 -1.703497299e-04 5.96 -1.495726660e-04 -1.495726660e-04 5.98 -1.313973765e-04 -1.313973765e-04 6.00 -1.154899906e-04 -1.154899906e-04