# 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 = Al2CoMo # 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 1.340281763e+02 1.340281763e+02 1.30 1.241385608e+02 1.241385608e+02 1.32 1.149781521e+02 1.149781521e+02 1.34 1.064863991e+02 1.064863991e+02 1.36 9.860824641e+01 9.860824641e+01 1.38 9.129478543e+01 9.129478543e+01 1.40 8.450264554e+01 8.450264554e+01 1.42 7.819236425e+01 7.819236425e+01 1.44 7.232664042e+01 7.232664042e+01 1.46 6.686953470e+01 6.686953470e+01 1.48 6.178716226e+01 6.178716226e+01 1.50 5.704922141e+01 5.704922141e+01 1.52 5.262994933e+01 5.262994933e+01 1.54 4.850776573e+01 4.850776573e+01 1.56 4.466408981e+01 4.466408981e+01 1.58 4.108214509e+01 4.108214509e+01 1.60 3.774609077e+01 3.774609077e+01 1.62 3.464043399e+01 3.464043399e+01 1.64 3.175075711e+01 3.175075711e+01 1.66 2.906318874e+01 2.906318874e+01 1.68 2.656270289e+01 2.656270289e+01 1.70 2.423456747e+01 2.423456747e+01 1.72 2.206568105e+01 2.206568105e+01 1.74 2.004733668e+01 2.004733668e+01 1.76 1.816922069e+01 1.816922069e+01 1.78 1.642172927e+01 1.642172927e+01 1.80 1.479632275e+01 1.479632275e+01 1.82 1.328540252e+01 1.328540252e+01 1.84 1.188218115e+01 1.188218115e+01 1.86 1.058051047e+01 1.058051047e+01 1.88 9.374679692e+00 9.374679692e+00 1.90 8.259208968e+00 8.259208968e+00 1.92 7.228664850e+00 7.228664850e+00 1.94 6.277532896e+00 6.277532896e+00 1.96 5.400182483e+00 5.400182483e+00 1.98 4.590937674e+00 4.590937674e+00 2.00 3.844233284e+00 3.844233284e+00 2.02 3.154802273e+00 3.154802273e+00 2.04 2.517821312e+00 2.517821312e+00 2.06 1.928958222e+00 1.928958222e+00 2.08 1.384320334e+00 1.384320334e+00 2.10 8.803556740e-01 8.803556740e-01 2.12 4.137692033e-01 4.137692033e-01 2.14 -1.851164572e-02 -1.851164572e-02 2.16 -4.193231952e-01 -4.193231952e-01 2.18 -7.912264801e-01 -7.912264801e-01 2.20 -1.136470761e+00 -1.136470761e+00 2.22 -1.456980381e+00 -1.456980381e+00 2.24 -1.754372117e+00 -1.754372117e+00 2.26 -2.029996914e+00 -2.029996914e+00 2.28 -2.284992617e+00 -2.284992617e+00 2.30 -2.520334763e+00 -2.520334763e+00 2.32 -2.736878092e+00 -2.736878092e+00 2.34 -2.935387127e+00 -2.935387127e+00 2.36 -3.116558571e+00 -3.116558571e+00 2.38 -3.280944433e+00 -3.280944433e+00 2.40 -3.429169099e+00 -3.429169099e+00 2.42 -3.561948699e+00 -3.561948699e+00 2.44 -3.679991783e+00 -3.679991783e+00 2.46 -3.784024259e+00 -3.784024259e+00 2.48 -3.874808513e+00 -3.874808513e+00 2.50 -3.953156096e+00 -3.953156096e+00 2.52 -4.019935504e+00 -4.019935504e+00 2.54 -4.076069908e+00 -4.076069908e+00 2.56 -4.122433751e+00 -4.122433751e+00 2.58 -4.159881499e+00 -4.159881499e+00 2.60 -4.189269495e+00 -4.189269495e+00 2.62 -4.211497695e+00 -4.211497695e+00 2.64 -4.227453264e+00 -4.227453264e+00 2.66 -4.237942392e+00 -4.237942392e+00 2.68 -4.243634409e+00 -4.243634409e+00 2.70 -4.245033186e+00 -4.245033186e+00 2.72 -4.242464999e+00 -4.242464999e+00 2.74 -4.236061958e+00 -4.236061958e+00 2.76 -4.226018388e+00 -4.226018388e+00 2.78 -4.213429430e+00 -4.213429430e+00 2.80 -4.198090344e+00 -4.198090344e+00 2.82 -4.179574842e+00 -4.179574842e+00 2.84 -4.157547523e+00 -4.157547523e+00 2.86 -4.131759195e+00 -4.131759195e+00 2.88 -4.102041487e+00 -4.102041487e+00 2.90 -4.068302035e+00 -4.068302035e+00 2.92 -4.030521031e+00 -4.030521031e+00 2.94 -3.988753090e+00 -3.988753090e+00 2.96 -3.943146547e+00 -3.943146547e+00 2.98 -3.893926649e+00 -3.893926649e+00 3.00 -3.841381319e+00 -3.841381319e+00 3.02 -3.785855455e+00 -3.785855455e+00 3.04 -3.727739040e+00 -3.727739040e+00 3.06 -3.667448325e+00 -3.667448325e+00 3.08 -3.605401072e+00 -3.605401072e+00 3.10 -3.541989390e+00 -3.541989390e+00 3.12 -3.477554818e+00 -3.477554818e+00 3.14 -3.412370462e+00 -3.412370462e+00 3.16 -3.346632827e+00 -3.346632827e+00 3.18 -3.280464006e+00 -3.280464006e+00 3.20 -3.213922116e+00 -3.213922116e+00 3.22 -3.147017038e+00 -3.147017038e+00 3.24 -3.079728310e+00 -3.079728310e+00 3.26 -3.012022750e+00 -3.012022750e+00 3.28 -2.943870268e+00 -2.943870268e+00 3.30 -2.875257143e+00 -2.875257143e+00 3.32 -2.806196533e+00 -2.806196533e+00 3.34 -2.736736145e+00 -2.736736145e+00 3.36 -2.666963039e+00 -2.666963039e+00 3.38 -2.597005442e+00 -2.597005442e+00 3.40 -2.527031455e+00 -2.527031455e+00 3.42 -2.457244643e+00 -2.457244643e+00 3.44 -2.387876627e+00 -2.387876627e+00 3.46 -2.319177250e+00 -2.319177250e+00 3.48 -2.251403035e+00 -2.251403035e+00 3.50 -2.184805013e+00 -2.184805013e+00 3.52 -2.119617033e+00 -2.119617033e+00 3.54 -2.056045638e+00 -2.056045638e+00 3.56 -1.994262330e+00 -1.994262330e+00 3.58 -1.934398694e+00 -1.934398694e+00 3.60 -1.876544513e+00 -1.876544513e+00 3.62 -1.820748604e+00 -1.820748604e+00 3.64 -1.767021908e+00 -1.767021908e+00 3.66 -1.715342189e+00 -1.715342189e+00 3.68 -1.665659686e+00 -1.665659686e+00 3.70 -1.617903113e+00 -1.617903113e+00 3.72 -1.571985507e+00 -1.571985507e+00 3.74 -1.527809564e+00 -1.527809564e+00 3.76 -1.485272232e+00 -1.485272232e+00 3.78 -1.444268436e+00 -1.444268436e+00 3.80 -1.404693942e+00 -1.404693942e+00 3.82 -1.366447388e+00 -1.366447388e+00 3.84 -1.329431603e+00 -1.329431603e+00 3.86 -1.293554337e+00 -1.293554337e+00 3.88 -1.258728529e+00 -1.258728529e+00 3.90 -1.224872246e+00 -1.224872246e+00 3.92 -1.191908401e+00 -1.191908401e+00 3.94 -1.159764387e+00 -1.159764387e+00 3.96 -1.128371600e+00 -1.128371600e+00 3.98 -1.097665071e+00 -1.097665071e+00 4.00 -1.067583146e+00 -1.067583146e+00 4.02 -1.038067326e+00 -1.038067326e+00 4.04 -1.009062300e+00 -1.009062300e+00 4.06 -9.805162277e-01 -9.805162277e-01 4.08 -9.523813066e-01 -9.523813066e-01 4.10 -9.246146312e-01 -9.246146312e-01 4.12 -8.971794662e-01 -8.971794662e-01 4.14 -8.700465885e-01 -8.700465885e-01 4.16 -8.431960364e-01 -8.431960364e-01 4.18 -8.166187934e-01 -8.166187934e-01 4.20 -7.903183351e-01 -7.903183351e-01 4.22 -7.643117544e-01 -7.643117544e-01 4.24 -7.386301802e-01 -7.386301802e-01 4.26 -7.133182233e-01 -7.133182233e-01 4.28 -6.884322668e-01 -6.884322668e-01 4.30 -6.640375539e-01 -6.640375539e-01 4.32 -6.402042160e-01 -6.402042160e-01 4.34 -6.170025686e-01 -6.170025686e-01 4.36 -5.944981559e-01 -5.944981559e-01 4.38 -5.727470899e-01 -5.727470899e-01 4.40 -5.517921948e-01 -5.517921948e-01 4.42 -5.316603349e-01 -5.316603349e-01 4.44 -5.123611123e-01 -5.123611123e-01 4.46 -4.938869111e-01 -4.938869111e-01 4.48 -4.762140978e-01 -4.762140978e-01 4.50 -4.593050701e-01 -4.593050701e-01 4.52 -4.431108127e-01 -4.431108127e-01 4.54 -4.275736367e-01 -4.275736367e-01 4.56 -4.126298475e-01 -4.126298475e-01 4.58 -3.982121634e-01 -3.982121634e-01 4.60 -3.842517977e-01 -3.842517977e-01 4.62 -3.706801793e-01 -3.706801793e-01 4.64 -3.574303465e-01 -3.574303465e-01 4.66 -3.444380776e-01 -3.444380776e-01 4.68 -3.316428374e-01 -3.316428374e-01 4.70 -3.189886223e-01 -3.189886223e-01 4.72 -3.064247840e-01 -3.064247840e-01 4.74 -2.939068765e-01 -2.939068765e-01 4.76 -2.813975679e-01 -2.813975679e-01 4.78 -2.688676254e-01 -2.688676254e-01 4.80 -2.562969332e-01 -2.562969332e-01 4.82 -2.436755556e-01 -2.436755556e-01 4.84 -2.310045715e-01 -2.310045715e-01 4.86 -2.182968178e-01 -2.182968178e-01 4.88 -2.055772094e-01 -2.055772094e-01 4.90 -1.928825764e-01 -1.928825764e-01 4.92 -1.802608976e-01 -1.802608976e-01 4.94 -1.677698580e-01 -1.677698580e-01 4.96 -1.554747078e-01 -1.554747078e-01 4.98 -1.434452917e-01 -1.434452917e-01 5.00 -1.317535814e-01 -1.317535814e-01 5.02 -1.204700475e-01 -1.204700475e-01 5.04 -1.096602429e-01 -1.096602429e-01 5.06 -9.938187933e-02 -9.938187933e-02 5.08 -8.968247690e-02 -8.968247690e-02 5.10 -8.059775138e-02 -8.059775138e-02 5.12 -7.215080935e-02 -7.215080935e-02 5.14 -6.435213537e-02 -6.435213537e-02 5.16 -5.720027676e-02 -5.720027676e-02 5.18 -5.068307803e-02 -5.068307803e-02 5.20 -4.477929017e-02 -4.477929017e-02 5.22 -3.946037994e-02 -3.946037994e-02 5.24 -3.469238674e-02 -3.469238674e-02 5.26 -3.043768446e-02 -3.043768446e-02 5.28 -2.665657561e-02 -2.665657561e-02 5.30 -2.330865022e-02 -2.330865022e-02 5.32 -2.035391244e-02 -2.035391244e-02 5.34 -1.775364627e-02 -1.775364627e-02 5.36 -1.547104202e-02 -1.547104202e-02 5.38 -1.347129444e-02 -1.347129444e-02 5.40 -1.172258644e-02 -1.172258644e-02 5.42 -1.019599348e-02 -1.019599348e-02 5.44 -8.865176925e-03 -8.865176925e-03 5.46 -7.706366556e-03 -7.706366556e-03 5.48 -6.698268609e-03 -6.698268609e-03 5.50 -5.821925133e-03 -5.821925133e-03 5.52 -5.060544496e-03 -5.060544496e-03 5.54 -4.399317762e-03 -4.399317762e-03 5.56 -3.825231524e-03 -3.825231524e-03 5.58 -3.326884555e-03 -3.326884555e-03 5.60 -2.894313076e-03 -2.894313076e-03 5.62 -2.518827616e-03 -2.518827616e-03 5.64 -2.192863027e-03 -2.192863027e-03 5.66 -1.909842249e-03 -1.909842249e-03 5.68 -1.664053750e-03 -1.664053750e-03 5.70 -1.450542123e-03 -1.450542123e-03 5.72 -1.265011025e-03 -1.265011025e-03 5.74 -1.103737521e-03 -1.103737521e-03 5.76 -9.634968099e-04 -9.634968099e-04 5.78 -8.414962989e-04 -8.414962989e-04 5.80 -7.353180356e-04 -7.353180356e-04 5.82 -6.428685602e-04 -6.428685602e-04 5.84 -5.623353018e-04 -5.623353018e-04 5.86 -4.921487289e-04 -4.921487289e-04 5.88 -4.309495366e-04 -4.309495366e-04 5.90 -3.775602294e-04 -3.775602294e-04 5.92 -3.309605318e-04 -3.309605318e-04 5.94 -2.902661248e-04 -2.902661248e-04 5.96 -2.547102668e-04 -2.547102668e-04 5.98 -2.236279128e-04 -2.236279128e-04 6.00 -1.964419970e-04 -1.964419970e-04