# 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 = CuMgW2 # 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 3.950130537e+02 3.950130537e+02 1.30 3.648623346e+02 3.648623346e+02 1.32 3.370625020e+02 3.370625020e+02 1.34 3.114139448e+02 3.114139448e+02 1.36 2.877292766e+02 2.877292766e+02 1.38 2.658345596e+02 2.658345596e+02 1.40 2.455720930e+02 2.455720930e+02 1.42 2.268025591e+02 2.268025591e+02 1.44 2.094048049e+02 2.094048049e+02 1.46 1.932732802e+02 1.932732802e+02 1.48 1.783145305e+02 1.783145305e+02 1.50 1.644442208e+02 1.644442208e+02 1.52 1.515853236e+02 1.515853236e+02 1.54 1.396671605e+02 1.396671605e+02 1.56 1.286247200e+02 1.286247200e+02 1.58 1.183979916e+02 1.183979916e+02 1.60 1.089313620e+02 1.089313620e+02 1.62 1.001731098e+02 1.001731098e+02 1.64 9.207492834e+01 9.207492834e+01 1.66 8.459141384e+01 8.459141384e+01 1.68 7.767954289e+01 7.767954289e+01 1.70 7.129820108e+01 7.129820108e+01 1.72 6.540780769e+01 6.540780769e+01 1.74 5.997010894e+01 5.997010894e+01 1.76 5.494821138e+01 5.494821138e+01 1.78 5.030783047e+01 5.030783047e+01 1.80 4.601647494e+01 4.601647494e+01 1.82 4.204357811e+01 4.204357811e+01 1.84 3.836173946e+01 3.836173946e+01 1.86 3.494699521e+01 3.494699521e+01 1.88 3.177857057e+01 3.177857057e+01 1.90 2.883896043e+01 2.883896043e+01 1.92 2.611318413e+01 2.611318413e+01 1.94 2.358801188e+01 2.358801188e+01 1.96 2.125136440e+01 2.125136440e+01 1.98 1.909187280e+01 1.909187280e+01 2.00 1.709859483e+01 1.709859483e+01 2.02 1.526084574e+01 1.526084574e+01 2.04 1.356810464e+01 1.356810464e+01 2.06 1.200997623e+01 1.200997623e+01 2.08 1.057620573e+01 1.057620573e+01 2.10 9.256753463e+00 9.256753463e+00 2.12 8.041927498e+00 8.041927498e+00 2.14 6.922555120e+00 6.922555120e+00 2.16 5.890157509e+00 5.890157509e+00 2.18 4.937082630e+00 4.937082630e+00 2.20 4.056565856e+00 4.056565856e+00 2.22 3.242707304e+00 3.242707304e+00 2.24 2.490382476e+00 2.490382476e+00 2.26 1.795113140e+00 1.795113140e+00 2.28 1.152926870e+00 1.152926870e+00 2.30 5.602324388e-01 5.602324388e-01 2.32 1.372298102e-02 1.372298102e-02 2.34 -4.896738410e-01 -4.896738410e-01 2.36 -9.526484330e-01 -9.526484330e-01 2.38 -1.377966469e+00 -1.377966469e+00 2.40 -1.768305350e+00 -1.768305350e+00 2.42 -2.126100811e+00 -2.126100811e+00 2.44 -2.453575108e+00 -2.453575108e+00 2.46 -2.752765784e+00 -2.752765784e+00 2.48 -3.025548433e+00 -3.025548433e+00 2.50 -3.273593222e+00 -3.273593222e+00 2.52 -3.497975576e+00 -3.497975576e+00 2.54 -3.699533211e+00 -3.699533211e+00 2.56 -3.879121180e+00 -3.879121180e+00 2.58 -4.037590099e+00 -4.037590099e+00 2.60 -4.175773438e+00 -4.175773438e+00 2.62 -4.294483790e+00 -4.294483790e+00 2.64 -4.394516790e+00 -4.394516790e+00 2.66 -4.476656642e+00 -4.476656642e+00 2.68 -4.541684335e+00 -4.541684335e+00 2.70 -4.590382287e+00 -4.590382287e+00 2.72 -4.623535070e+00 -4.623535070e+00 2.74 -4.641925849e+00 -4.641925849e+00 2.76 -4.646330354e+00 -4.646330354e+00 2.78 -4.637511483e+00 -4.637511483e+00 2.80 -4.616218673e+00 -4.616218673e+00 2.82 -4.583192519e+00 -4.583192519e+00 2.84 -4.539177757e+00 -4.539177757e+00 2.86 -4.484941186e+00 -4.484941186e+00 2.88 -4.421292627e+00 -4.421292627e+00 2.90 -4.349208598e+00 -4.349208598e+00 2.92 -4.269743801e+00 -4.269743801e+00 2.94 -4.183731100e+00 -4.183731100e+00 2.96 -4.092113832e+00 -4.092113832e+00 2.98 -3.995931209e+00 -3.995931209e+00 3.00 -3.896280498e+00 -3.896280498e+00 3.02 -3.794269350e+00 -3.794269350e+00 3.04 -3.690962675e+00 -3.690962675e+00 3.06 -3.587333837e+00 -3.587333837e+00 3.08 -3.484240326e+00 -3.484240326e+00 3.10 -3.382375163e+00 -3.382375163e+00 3.12 -3.282236672e+00 -3.282236672e+00 3.14 -3.184129263e+00 -3.184129263e+00 3.16 -3.088175354e+00 -3.088175354e+00 3.18 -2.994341957e+00 -2.994341957e+00 3.20 -2.902472553e+00 -2.902472553e+00 3.22 -2.812322784e+00 -2.812322784e+00 3.24 -2.723596396e+00 -2.723596396e+00 3.26 -2.635979087e+00 -2.635979087e+00 3.28 -2.549168691e+00 -2.549168691e+00 3.30 -2.462900750e+00 -2.462900750e+00 3.32 -2.376968979e+00 -2.376968979e+00 3.34 -2.291240458e+00 -2.291240458e+00 3.36 -2.205665531e+00 -2.205665531e+00 3.38 -2.120319130e+00 -2.120319130e+00 3.40 -2.035290856e+00 -2.035290856e+00 3.42 -1.950671314e+00 -1.950671314e+00 3.44 -1.866649890e+00 -1.866649890e+00 3.46 -1.783422919e+00 -1.783422919e+00 3.48 -1.700983180e+00 -1.700983180e+00 3.50 -1.619404426e+00 -1.619404426e+00 3.52 -1.538901465e+00 -1.538901465e+00 3.54 -1.459794652e+00 -1.459794652e+00 3.56 -1.382468851e+00 -1.382468851e+00 3.58 -1.307331337e+00 -1.307331337e+00 3.60 -1.234773151e+00 -1.234773151e+00 3.62 -1.165137600e+00 -1.165137600e+00 3.64 -1.098698153e+00 -1.098698153e+00 3.66 -1.035646435e+00 -1.035646435e+00 3.68 -9.760896095e-01 -9.760896095e-01 3.70 -9.200554548e-01 -9.200554548e-01 3.72 -8.675029132e-01 -8.675029132e-01 3.74 -8.183357980e-01 -8.183357980e-01 3.76 -7.724175642e-01 -7.724175642e-01 3.78 -7.295854455e-01 -7.295854455e-01 3.80 -6.896627336e-01 -6.896627336e-01 3.82 -6.524684615e-01 -6.524684615e-01 3.84 -6.178242005e-01 -6.178242005e-01 3.86 -5.855580817e-01 -5.855580817e-01 3.88 -5.555064690e-01 -5.555064690e-01 3.90 -5.275139304e-01 -5.275139304e-01 3.92 -5.014321372e-01 -5.014321372e-01 3.94 -4.771189771e-01 -4.771189771e-01 3.96 -4.544368222e-01 -4.544368222e-01 3.98 -4.332524193e-01 -4.332524193e-01 4.00 -4.134367669e-01 -4.134367669e-01 4.02 -3.948655830e-01 -3.948655830e-01 4.04 -3.774200488e-01 -3.774200488e-01 4.06 -3.609876201e-01 -3.609876201e-01 4.08 -3.454627505e-01 -3.454627505e-01 4.10 -3.307470184e-01 -3.307470184e-01 4.12 -3.167510706e-01 -3.167510706e-01 4.14 -3.033921483e-01 -3.033921483e-01 4.16 -2.905956329e-01 -2.905956329e-01 4.18 -2.782939921e-01 -2.782939921e-01 4.20 -2.664292555e-01 -2.664292555e-01 4.22 -2.549506701e-01 -2.549506701e-01 4.24 -2.438146442e-01 -2.438146442e-01 4.26 -2.329850044e-01 -2.329850044e-01 4.28 -2.224332142e-01 -2.224332142e-01 4.30 -2.121385498e-01 -2.121385498e-01 4.32 -2.020881910e-01 -2.020881910e-01 4.34 -1.922771561e-01 -1.922771561e-01 4.36 -1.827079961e-01 -1.827079961e-01 4.38 -1.733901737e-01 -1.733901737e-01 4.40 -1.643390729e-01 -1.643390729e-01 4.42 -1.555746328e-01 -1.555746328e-01 4.44 -1.471196546e-01 -1.471196546e-01 4.46 -1.389978902e-01 -1.389978902e-01 4.48 -1.312320693e-01 -1.312320693e-01 4.50 -1.238420457e-01 -1.238420457e-01 4.52 -1.168432409e-01 -1.168432409e-01 4.54 -1.102455212e-01 -1.102455212e-01 4.56 -1.040525887e-01 -1.040525887e-01 4.58 -9.826189201e-02 -9.826189201e-02 4.60 -9.286500428e-02 -9.286500428e-02 4.62 -8.784836150e-02 -8.784836150e-02 4.64 -8.319423682e-02 -8.319423682e-02 4.66 -7.888182149e-02 -7.888182149e-02 4.68 -7.488830146e-02 -7.488830146e-02 4.70 -7.118984555e-02 -7.118984555e-02 4.72 -6.776245140e-02 -6.776245140e-02 4.74 -6.458262371e-02 -6.458262371e-02 4.76 -6.162788141e-02 -6.162788141e-02 4.78 -5.887710639e-02 -5.887710639e-02 4.80 -5.631054962e-02 -5.631054962e-02 4.82 -5.391079137e-02 -5.391079137e-02 4.84 -5.166140139e-02 -5.166140139e-02 4.86 -4.954782962e-02 -4.954782962e-02 4.88 -4.755710117e-02 -4.755710117e-02 4.90 -4.567768360e-02 -4.567768360e-02 4.92 -4.389935632e-02 -4.389935632e-02 4.94 -4.221307901e-02 -4.221307901e-02 4.96 -4.061086222e-02 -4.061086222e-02 4.98 -3.908564461e-02 -3.908564461e-02 5.00 -3.763117909e-02 -3.763117909e-02 5.02 -3.624192953e-02 -3.624192953e-02 5.04 -3.491297836e-02 -3.491297836e-02 5.06 -3.363994498e-02 -3.363994498e-02 5.08 -3.241891440e-02 -3.241891440e-02 5.10 -3.124637570e-02 -3.124637570e-02 5.12 -3.011916935e-02 -3.011916935e-02 5.14 -2.903444270e-02 -2.903444270e-02 5.16 -2.798961287e-02 -2.798961287e-02 5.18 -2.698233640e-02 -2.698233640e-02 5.20 -2.601048472e-02 -2.601048472e-02 5.22 -2.507212513e-02 -2.507212513e-02 5.24 -2.416550628e-02 -2.416550628e-02 5.26 -2.328904761e-02 -2.328904761e-02 5.28 -2.244133194e-02 -2.244133194e-02 5.30 -2.162110015e-02 -2.162110015e-02 5.32 -2.082724715e-02 -2.082724715e-02 5.34 -2.005881765e-02 -2.005881765e-02 5.36 -1.931497467e-02 -1.931497467e-02 5.38 -1.859502959e-02 -1.859502959e-02 5.40 -1.789844265e-02 -1.789844265e-02 5.42 -1.722478283e-02 -1.722478283e-02 5.44 -1.657370801e-02 -1.657370801e-02 5.46 -1.594494093e-02 -1.594494093e-02 5.48 -1.533824206e-02 -1.533824206e-02 5.50 -1.475338086e-02 -1.475338086e-02 5.52 -1.419010766e-02 -1.419010766e-02 5.54 -1.364812820e-02 -1.364812820e-02 5.56 -1.312708297e-02 -1.312708297e-02 5.58 -1.262653264e-02 -1.262653264e-02 5.60 -1.214595065e-02 -1.214595065e-02 5.62 -1.168472263e-02 -1.168472263e-02 5.64 -1.124215214e-02 -1.124215214e-02 5.66 -1.081747128e-02 -1.081747128e-02 5.68 -1.040985462e-02 -1.040985462e-02 5.70 -1.001843480e-02 -1.001843480e-02 5.72 -9.642318349e-03 -9.642318349e-03 5.74 -9.280600488e-03 -9.280600488e-03 5.76 -8.932378187e-03 -8.932378187e-03 5.78 -8.596760999e-03 -8.596760999e-03 5.80 -8.272879581e-03 -8.272879581e-03 5.82 -7.959892012e-03 -7.959892012e-03 5.84 -7.656988229e-03 -7.656988229e-03 5.86 -7.363392945e-03 -7.363392945e-03 5.88 -7.078367508e-03 -7.078367508e-03 5.90 -6.801211108e-03 -6.801211108e-03 5.92 -6.531261750e-03 -6.531261750e-03 5.94 -6.267897321e-03 -6.267897321e-03 5.96 -6.010537073e-03 -6.010537073e-03 5.98 -5.758643730e-03 -5.758643730e-03 6.00 -5.511726396e-03 -5.511726396e-03