# 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 = MgPdTa2 # 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 4.485194489e+02 4.485194489e+02 1.30 4.166118471e+02 4.166118471e+02 1.32 3.870458267e+02 3.870458267e+02 1.34 3.596355540e+02 3.596355540e+02 1.36 3.342084751e+02 3.342084751e+02 1.38 3.106048239e+02 3.106048239e+02 1.40 2.886780559e+02 2.886780559e+02 1.42 2.682953464e+02 2.682953464e+02 1.44 2.493372580e+02 2.493372580e+02 1.46 2.316963468e+02 2.316963468e+02 1.48 2.152752074e+02 2.152752074e+02 1.50 1.999846264e+02 1.999846264e+02 1.52 1.857421980e+02 1.857421980e+02 1.54 1.724714627e+02 1.724714627e+02 1.56 1.601014677e+02 1.601014677e+02 1.58 1.485665998e+02 1.485665998e+02 1.60 1.378065008e+02 1.378065008e+02 1.62 1.277659133e+02 1.277659133e+02 1.64 1.183943865e+02 1.183943865e+02 1.66 1.096458492e+02 1.096458492e+02 1.68 1.014780908e+02 1.014780908e+02 1.70 9.385219567e+01 9.385219567e+01 1.72 8.673199215e+01 8.673199215e+01 1.74 8.008359235e+01 8.008359235e+01 1.76 7.387508853e+01 7.387508853e+01 1.78 6.807640510e+01 6.807640510e+01 1.80 6.265924173e+01 6.265924173e+01 1.82 5.759998959e+01 5.759998959e+01 1.84 5.288074512e+01 5.288074512e+01 1.86 4.847809401e+01 4.847809401e+01 1.88 4.437006601e+01 4.437006601e+01 1.90 4.054309936e+01 4.054309936e+01 1.92 3.698843340e+01 3.698843340e+01 1.94 3.368843263e+01 3.368843263e+01 1.96 3.062675990e+01 3.062675990e+01 1.98 2.778812065e+01 2.778812065e+01 2.00 2.515797208e+01 2.515797208e+01 2.02 2.272233139e+01 2.272233139e+01 2.04 2.046771991e+01 2.046771991e+01 2.06 1.838122776e+01 1.838122776e+01 2.08 1.645064090e+01 1.645064090e+01 2.10 1.466456149e+01 1.466456149e+01 2.12 1.301247922e+01 1.301247922e+01 2.14 1.148478028e+01 1.148478028e+01 2.16 1.007270618e+01 1.007270618e+01 2.18 8.768278451e+00 8.768278451e+00 2.20 7.564206047e+00 7.564206047e+00 2.22 6.453783848e+00 6.453783848e+00 2.24 5.430791712e+00 5.430791712e+00 2.26 4.489398476e+00 4.489398476e+00 2.28 3.624075847e+00 3.624075847e+00 2.30 2.829527649e+00 2.829527649e+00 2.32 2.100641092e+00 2.100641092e+00 2.34 1.432469120e+00 1.432469120e+00 2.36 8.202436850e-01 8.202436850e-01 2.38 2.594176011e-01 2.594176011e-01 2.40 -2.542795096e-01 -2.542795096e-01 2.42 -7.247895666e-01 -7.247895666e-01 2.44 -1.155693707e+00 -1.155693707e+00 2.46 -1.550208615e+00 -1.550208615e+00 2.48 -1.911162321e+00 -1.911162321e+00 2.50 -2.240916845e+00 -2.240916845e+00 2.52 -2.541992080e+00 -2.541992080e+00 2.54 -2.816676092e+00 -2.816676092e+00 2.56 -3.066984657e+00 -3.066984657e+00 2.58 -3.294701775e+00 -3.294701775e+00 2.60 -3.501417524e+00 -3.501417524e+00 2.62 -3.688563006e+00 -3.688563006e+00 2.64 -3.857329953e+00 -3.857329953e+00 2.66 -4.008478906e+00 -4.008478906e+00 2.68 -4.142729944e+00 -4.142729944e+00 2.70 -4.260833437e+00 -4.260833437e+00 2.72 -4.363549733e+00 -4.363549733e+00 2.74 -4.451633481e+00 -4.451633481e+00 2.76 -4.525822171e+00 -4.525822171e+00 2.78 -4.586828590e+00 -4.586828590e+00 2.80 -4.635337691e+00 -4.635337691e+00 2.82 -4.672005655e+00 -4.672005655e+00 2.84 -4.697463069e+00 -4.697463069e+00 2.86 -4.712319075e+00 -4.712319075e+00 2.88 -4.717165960e+00 -4.717165960e+00 2.90 -4.712582575e+00 -4.712582575e+00 2.92 -4.699135320e+00 -4.699135320e+00 2.94 -4.677378438e+00 -4.677378438e+00 2.96 -4.648074549e+00 -4.648074549e+00 2.98 -4.611776074e+00 -4.611776074e+00 3.00 -4.568827154e+00 -4.568827154e+00 3.02 -4.519560514e+00 -4.519560514e+00 3.04 -4.464292384e+00 -4.464292384e+00 3.06 -4.403321291e+00 -4.403321291e+00 3.08 -4.336928878e+00 -4.336928878e+00 3.10 -4.265385389e+00 -4.265385389e+00 3.12 -4.188957173e+00 -4.188957173e+00 3.14 -4.107928785e+00 -4.107928785e+00 3.16 -4.022625657e+00 -4.022625657e+00 3.18 -3.933400953e+00 -3.933400953e+00 3.20 -3.840644581e+00 -3.840644581e+00 3.22 -3.744794463e+00 -3.744794463e+00 3.24 -3.646343874e+00 -3.646343874e+00 3.26 -3.545843094e+00 -3.545843094e+00 3.28 -3.443893958e+00 -3.443893958e+00 3.30 -3.341136645e+00 -3.341136645e+00 3.32 -3.238229178e+00 -3.238229178e+00 3.34 -3.135821424e+00 -3.135821424e+00 3.36 -3.034526504e+00 -3.034526504e+00 3.38 -2.934893150e+00 -2.934893150e+00 3.40 -2.837382385e+00 -2.837382385e+00 3.42 -2.742351353e+00 -2.742351353e+00 3.44 -2.650045157e+00 -2.650045157e+00 3.46 -2.560597480e+00 -2.560597480e+00 3.48 -2.474038356e+00 -2.474038356e+00 3.50 -2.390307547e+00 -2.390307547e+00 3.52 -2.309271454e+00 -2.309271454e+00 3.54 -2.230741612e+00 -2.230741612e+00 3.56 -2.154493194e+00 -2.154493194e+00 3.58 -2.080285201e+00 -2.080285201e+00 3.60 -2.007896456e+00 -2.007896456e+00 3.62 -1.937064332e+00 -1.937064332e+00 3.64 -1.867535890e+00 -1.867535890e+00 3.66 -1.799092763e+00 -1.799092763e+00 3.68 -1.731559192e+00 -1.731559192e+00 3.70 -1.664801903e+00 -1.664801903e+00 3.72 -1.598647226e+00 -1.598647226e+00 3.74 -1.532914254e+00 -1.532914254e+00 3.76 -1.467494873e+00 -1.467494873e+00 3.78 -1.402358585e+00 -1.402358585e+00 3.80 -1.337552479e+00 -1.337552479e+00 3.82 -1.273197393e+00 -1.273197393e+00 3.84 -1.209479770e+00 -1.209479770e+00 3.86 -1.146639256e+00 -1.146639256e+00 3.88 -1.084952668e+00 -1.084952668e+00 3.90 -1.024715584e+00 -1.024715584e+00 3.92 -9.662231321e-01 -9.662231321e-01 3.94 -9.097523392e-01 -9.097523392e-01 3.96 -8.555462744e-01 -8.555462744e-01 3.98 -8.038031955e-01 -8.038031955e-01 4.00 -7.546697678e-01 -7.546697678e-01 4.02 -7.082389782e-01 -7.082389782e-01 4.04 -6.645520565e-01 -6.645520565e-01 4.06 -6.236034483e-01 -6.236034483e-01 4.08 -5.853477196e-01 -5.853477196e-01 4.10 -5.497069198e-01 -5.497069198e-01 4.12 -5.165798401e-01 -5.165798401e-01 4.14 -4.858464281e-01 -4.858464281e-01 4.16 -4.573754191e-01 -4.573754191e-01 4.18 -4.310285215e-01 -4.310285215e-01 4.20 -4.066639865e-01 -4.066639865e-01 4.22 -3.841392959e-01 -3.841392959e-01 4.24 -3.633132062e-01 -3.633132062e-01 4.26 -3.440473584e-01 -3.440473584e-01 4.28 -3.262076018e-01 -3.262076018e-01 4.30 -3.096651097e-01 -3.096651097e-01 4.32 -2.942973123e-01 -2.942973123e-01 4.34 -2.799886404e-01 -2.799886404e-01 4.36 -2.666310664e-01 -2.666310664e-01 4.38 -2.541244348e-01 -2.541244348e-01 4.40 -2.423765999e-01 -2.423765999e-01 4.42 -2.313033648e-01 -2.313033648e-01 4.44 -2.208282991e-01 -2.208282991e-01 4.46 -2.108824810e-01 -2.108824810e-01 4.48 -2.014040377e-01 -2.014040377e-01 4.50 -1.923371007e-01 -1.923371007e-01 4.52 -1.836339560e-01 -1.836339560e-01 4.54 -1.752530645e-01 -1.752530645e-01 4.56 -1.671585930e-01 -1.671585930e-01 4.58 -1.593204299e-01 -1.593204299e-01 4.60 -1.517141697e-01 -1.517141697e-01 4.62 -1.443210731e-01 -1.443210731e-01 4.64 -1.371279816e-01 -1.371279816e-01 4.66 -1.301271574e-01 -1.301271574e-01 4.68 -1.233160117e-01 -1.233160117e-01 4.70 -1.166966815e-01 -1.166966815e-01 4.72 -1.102754289e-01 -1.102754289e-01 4.74 -1.040618556e-01 -1.040618556e-01 4.76 -9.806794512e-02 -9.806794512e-02 4.78 -9.230697784e-02 -9.230697784e-02 4.80 -8.679217850e-02 -8.679217850e-02 4.82 -8.153645338e-02 -8.153645338e-02 4.84 -7.655002341e-02 -7.655002341e-02 4.86 -7.184054912e-02 -7.184054912e-02 4.88 -6.741229442e-02 -6.741229442e-02 4.90 -6.326585771e-02 -6.326585771e-02 4.92 -5.939814079e-02 -5.939814079e-02 4.94 -5.580256815e-02 -5.580256815e-02 4.96 -5.246950076e-02 -5.246950076e-02 4.98 -4.938677816e-02 -4.938677816e-02 5.00 -4.654032897e-02 -4.654032897e-02 5.02 -4.391478639e-02 -4.391478639e-02 5.04 -4.149406613e-02 -4.149406613e-02 5.06 -3.926187578e-02 -3.926187578e-02 5.08 -3.720213790e-02 -3.720213790e-02 5.10 -3.529932403e-02 -3.529932403e-02 5.12 -3.353869704e-02 -3.353869704e-02 5.14 -3.190647429e-02 -3.190647429e-02 5.16 -3.038992426e-02 -3.038992426e-02 5.18 -2.897740858e-02 -2.897740858e-02 5.20 -2.765838263e-02 -2.765838263e-02 5.22 -2.642336592e-02 -2.642336592e-02 5.24 -2.526389239e-02 -2.526389239e-02 5.26 -2.417244815e-02 -2.417244815e-02 5.28 -2.314240280e-02 -2.314240280e-02 5.30 -2.216793850e-02 -2.216793850e-02 5.32 -2.124397935e-02 -2.124397935e-02 5.34 -2.036612268e-02 -2.036612268e-02 5.36 -1.953057266e-02 -1.953057266e-02 5.38 -1.873404594e-02 -1.873404594e-02 5.40 -1.797374692e-02 -1.797374692e-02 5.42 -1.724733426e-02 -1.724733426e-02 5.44 -1.655282167e-02 -1.655282167e-02 5.46 -1.588851860e-02 -1.588851860e-02 5.48 -1.525297214e-02 -1.525297214e-02 5.50 -1.464491162e-02 -1.464491162e-02 5.52 -1.406319714e-02 -1.406319714e-02 5.54 -1.350677413e-02 -1.350677413e-02 5.56 -1.297463518e-02 -1.297463518e-02 5.58 -1.246579041e-02 -1.246579041e-02 5.60 -1.197924670e-02 -1.197924670e-02 5.62 -1.151399561e-02 -1.151399561e-02 5.64 -1.106900887e-02 -1.106900887e-02 5.66 -1.064324001e-02 -1.064324001e-02 5.68 -1.023563047e-02 -1.023563047e-02 5.70 -9.845118310e-03 -9.845118310e-03 5.72 -9.470648050e-03 -9.470648050e-03 5.74 -9.111180333e-03 -9.111180333e-03 5.76 -8.765700562e-03 -8.765700562e-03 5.78 -8.433225985e-03 -8.433225985e-03 5.80 -8.112811029e-03 -8.112811029e-03 5.82 -7.803550960e-03 -7.803550960e-03 5.84 -7.504584067e-03 -7.504584067e-03 5.86 -7.215092722e-03 -7.215092722e-03 5.88 -6.934303665e-03 -6.934303665e-03 5.90 -6.661487906e-03 -6.661487906e-03 5.92 -6.395960586e-03 -6.395960586e-03 5.94 -6.137081118e-03 -6.137081118e-03 5.96 -5.884253849e-03 -5.884253849e-03 5.98 -5.636929477e-03 -5.636929477e-03 6.00 -5.394607334e-03 -5.394607334e-03