# 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 = AlMgTi2 # 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 2.556916209e+02 2.556916209e+02 1.30 2.373473495e+02 2.373473495e+02 1.32 2.203547272e+02 2.203547272e+02 1.34 2.046045221e+02 2.046045221e+02 1.36 1.899973577e+02 1.899973577e+02 1.38 1.764441707e+02 1.764441707e+02 1.40 1.638645653e+02 1.638645653e+02 1.42 1.521843871e+02 1.521843871e+02 1.44 1.413341767e+02 1.413341767e+02 1.46 1.312490056e+02 1.312490056e+02 1.48 1.218691342e+02 1.218691342e+02 1.50 1.131406545e+02 1.131406545e+02 1.52 1.050154351e+02 1.050154351e+02 1.54 9.745031572e+01 9.745031572e+01 1.56 9.040610505e+01 9.040610505e+01 1.58 8.384678684e+01 8.384678684e+01 1.60 7.773892816e+01 7.773892816e+01 1.62 7.205123660e+01 7.205123660e+01 1.64 6.675425653e+01 6.675425653e+01 1.66 6.182015010e+01 6.182015010e+01 1.68 5.722259290e+01 5.722259290e+01 1.70 5.293689101e+01 5.293689101e+01 1.72 4.894041090e+01 4.894041090e+01 1.74 4.521285612e+01 4.521285612e+01 1.76 4.173569141e+01 4.173569141e+01 1.78 3.849231609e+01 3.849231609e+01 1.80 3.546877868e+01 3.546877868e+01 1.82 3.265104210e+01 3.265104210e+01 1.84 3.002581196e+01 3.002581196e+01 1.86 2.758068443e+01 2.758068443e+01 1.88 2.530396430e+01 2.530396430e+01 1.90 2.318447336e+01 2.318447336e+01 1.92 2.121140625e+01 2.121140625e+01 1.94 1.937430585e+01 1.937430585e+01 1.96 1.766318359e+01 1.766318359e+01 1.98 1.606873122e+01 1.606873122e+01 2.00 1.458249905e+01 1.458249905e+01 2.02 1.319694310e+01 1.319694310e+01 2.04 1.190533937e+01 1.190533937e+01 2.06 1.070163244e+01 1.070163244e+01 2.08 9.580290524e+00 9.580290524e+00 2.10 8.536201836e+00 8.536201836e+00 2.12 7.564607354e+00 7.564607354e+00 2.14 6.661049788e+00 6.661049788e+00 2.16 5.821330255e+00 5.821330255e+00 2.18 5.041470694e+00 5.041470694e+00 2.20 4.317685490e+00 4.317685490e+00 2.22 3.646359346e+00 3.646359346e+00 2.24 3.024035650e+00 3.024035650e+00 2.26 2.447418159e+00 2.447418159e+00 2.28 1.913386571e+00 1.913386571e+00 2.30 1.419022689e+00 1.419022689e+00 2.32 9.616326912e-01 9.616326912e-01 2.34 5.387628113e-01 5.387628113e-01 2.36 1.481960286e-01 1.481960286e-01 2.38 -2.120680108e-01 -2.120680108e-01 2.40 -5.438498315e-01 -5.438498315e-01 2.42 -8.488365340e-01 -8.488365340e-01 2.44 -1.128626143e+00 -1.128626143e+00 2.46 -1.384763422e+00 -1.384763422e+00 2.48 -1.618761011e+00 -1.618761011e+00 2.50 -1.832106146e+00 -1.832106146e+00 2.52 -2.026255678e+00 -2.026255678e+00 2.54 -2.202624515e+00 -2.202624515e+00 2.56 -2.362573068e+00 -2.362573068e+00 2.58 -2.507400977e+00 -2.507400977e+00 2.60 -2.638435354e+00 -2.638435354e+00 2.62 -2.756765705e+00 -2.756765705e+00 2.64 -2.863335884e+00 -2.863335884e+00 2.66 -2.959016484e+00 -2.959016484e+00 2.68 -3.044594683e+00 -3.044594683e+00 2.70 -3.120770530e+00 -3.120770530e+00 2.72 -3.188162105e+00 -3.188162105e+00 2.74 -3.247316617e+00 -3.247316617e+00 2.76 -3.298652876e+00 -3.298652876e+00 2.78 -3.342419066e+00 -3.342419066e+00 2.80 -3.378866066e+00 -3.378866066e+00 2.82 -3.408265592e+00 -3.408265592e+00 2.84 -3.431204262e+00 -3.431204262e+00 2.86 -3.448420961e+00 -3.448420961e+00 2.88 -3.459997652e+00 -3.459997652e+00 2.90 -3.466051252e+00 -3.466051252e+00 2.92 -3.466743896e+00 -3.466743896e+00 2.94 -3.462276510e+00 -3.462276510e+00 2.96 -3.452884543e+00 -3.452884543e+00 2.98 -3.438836272e+00 -3.438836272e+00 3.00 -3.420434428e+00 -3.420434428e+00 3.02 -3.398027749e+00 -3.398027749e+00 3.04 -3.371998437e+00 -3.371998437e+00 3.06 -3.342743971e+00 -3.342743971e+00 3.08 -3.310661162e+00 -3.310661162e+00 3.10 -3.276129985e+00 -3.276129985e+00 3.12 -3.239497740e+00 -3.239497740e+00 3.14 -3.201069647e+00 -3.201069647e+00 3.16 -3.161103396e+00 -3.161103396e+00 3.18 -3.119812286e+00 -3.119812286e+00 3.20 -3.077371015e+00 -3.077371015e+00 3.22 -3.033923628e+00 -3.033923628e+00 3.24 -2.989591495e+00 -2.989591495e+00 3.26 -2.944480141e+00 -2.944480141e+00 3.28 -2.898684370e+00 -2.898684370e+00 3.30 -2.852291631e+00 -2.852291631e+00 3.32 -2.805383895e+00 -2.805383895e+00 3.34 -2.758038513e+00 -2.758038513e+00 3.36 -2.710328638e+00 -2.710328638e+00 3.38 -2.662323749e+00 -2.662323749e+00 3.40 -2.614090609e+00 -2.614090609e+00 3.42 -2.565695205e+00 -2.565695205e+00 3.44 -2.517204659e+00 -2.517204659e+00 3.46 -2.468690126e+00 -2.468690126e+00 3.48 -2.420229186e+00 -2.420229186e+00 3.50 -2.371909218e+00 -2.371909218e+00 3.52 -2.323837969e+00 -2.323837969e+00 3.54 -2.276108897e+00 -2.276108897e+00 3.56 -2.228815490e+00 -2.228815490e+00 3.58 -2.182051351e+00 -2.182051351e+00 3.60 -2.135903831e+00 -2.135903831e+00 3.62 -2.090448093e+00 -2.090448093e+00 3.64 -2.045742746e+00 -2.045742746e+00 3.66 -2.001827769e+00 -2.001827769e+00 3.68 -1.958724818e+00 -1.958724818e+00 3.70 -1.916437548e+00 -1.916437548e+00 3.72 -1.874942897e+00 -1.874942897e+00 3.74 -1.834204282e+00 -1.834204282e+00 3.76 -1.794183360e+00 -1.794183360e+00 3.78 -1.754842377e+00 -1.754842377e+00 3.80 -1.716145873e+00 -1.716145873e+00 3.82 -1.678061721e+00 -1.678061721e+00 3.84 -1.640561615e+00 -1.640561615e+00 3.86 -1.603621137e+00 -1.603621137e+00 3.88 -1.567219525e+00 -1.567219525e+00 3.90 -1.531339260e+00 -1.531339260e+00 3.92 -1.495965404e+00 -1.495965404e+00 3.94 -1.461085636e+00 -1.461085636e+00 3.96 -1.426688806e+00 -1.426688806e+00 3.98 -1.392765122e+00 -1.392765122e+00 4.00 -1.359305581e+00 -1.359305581e+00 4.02 -1.326301679e+00 -1.326301679e+00 4.04 -1.293745197e+00 -1.293745197e+00 4.06 -1.261628108e+00 -1.261628108e+00 4.08 -1.229942588e+00 -1.229942588e+00 4.10 -1.198680742e+00 -1.198680742e+00 4.12 -1.167836630e+00 -1.167836630e+00 4.14 -1.137403941e+00 -1.137403941e+00 4.16 -1.107378500e+00 -1.107378500e+00 4.18 -1.077758418e+00 -1.077758418e+00 4.20 -1.048544808e+00 -1.048544808e+00 4.22 -1.019742467e+00 -1.019742467e+00 4.24 -9.913604229e-01 -9.913604229e-01 4.26 -9.634122197e-01 -9.634122197e-01 4.28 -9.359158483e-01 -9.359158483e-01 4.30 -9.088932366e-01 -9.088932366e-01 4.32 -8.823692785e-01 -8.823692785e-01 4.34 -8.563704457e-01 -8.563704457e-01 4.36 -8.309230991e-01 -8.309230991e-01 4.38 -8.060516719e-01 -8.060516719e-01 4.40 -7.817769234e-01 -7.817769234e-01 4.42 -7.581144555e-01 -7.581144555e-01 4.44 -7.350736337e-01 -7.350736337e-01 4.46 -7.126569925e-01 -7.126569925e-01 4.48 -6.908601275e-01 -6.908601275e-01 4.50 -6.696720154e-01 -6.696720154e-01 4.52 -6.490756620e-01 -6.490756620e-01 4.54 -6.290489603e-01 -6.290489603e-01 4.56 -6.095656489e-01 -6.095656489e-01 4.58 -5.905962806e-01 -5.905962806e-01 4.60 -5.721091393e-01 -5.721091393e-01 4.62 -5.540710734e-01 -5.540710734e-01 4.64 -5.364482384e-01 -5.364482384e-01 4.66 -5.192067577e-01 -5.192067577e-01 4.68 -5.023133271e-01 -5.023133271e-01 4.70 -4.857357885e-01 -4.857357885e-01 4.72 -4.694437032e-01 -4.694437032e-01 4.74 -4.534089477e-01 -4.534089477e-01 4.76 -4.376063486e-01 -4.376063486e-01 4.78 -4.220143620e-01 -4.220143620e-01 4.80 -4.066155266e-01 -4.066155266e-01 4.82 -3.913982866e-01 -3.913982866e-01 4.84 -3.763559704e-01 -3.763559704e-01 4.86 -3.614886036e-01 -3.614886036e-01 4.88 -3.468030430e-01 -3.468030430e-01 4.90 -3.323131884e-01 -3.323131884e-01 4.92 -3.180398781e-01 -3.180398781e-01 4.94 -3.040104009e-01 -3.040104009e-01 4.96 -2.902575886e-01 -2.902575886e-01 4.98 -2.768184869e-01 -2.768184869e-01 5.00 -2.637326574e-01 -2.637326574e-01 5.02 -2.510402076e-01 -2.510402076e-01 5.04 -2.387796957e-01 -2.387796957e-01 5.06 -2.269860788e-01 -2.269860788e-01 5.08 -2.156888830e-01 -2.156888830e-01 5.10 -2.049107496e-01 -2.049107496e-01 5.12 -1.946664681e-01 -1.946664681e-01 5.14 -1.849625497e-01 -1.849625497e-01 5.16 -1.757973278e-01 -1.757973278e-01 5.18 -1.671615222e-01 -1.671615222e-01 5.20 -1.590391596e-01 -1.590391596e-01 5.22 -1.514087261e-01 -1.514087261e-01 5.24 -1.442444272e-01 -1.442444272e-01 5.26 -1.375174458e-01 -1.375174458e-01 5.28 -1.311971129e-01 -1.311971129e-01 5.30 -1.252519356e-01 -1.252519356e-01 5.32 -1.196504523e-01 -1.196504523e-01 5.34 -1.143619044e-01 -1.143619044e-01 5.36 -1.093567370e-01 -1.093567370e-01 5.38 -1.046069454e-01 -1.046069454e-01 5.40 -1.000862914e-01 -1.000862914e-01 5.42 -9.577041838e-02 -9.577041838e-02 5.44 -9.163688874e-02 -9.163688874e-02 5.46 -8.766517096e-02 -8.766517096e-02 5.48 -8.383659651e-02 -8.383659651e-02 5.50 -8.013429791e-02 -8.013429791e-02 5.52 -7.654307087e-02 -7.654307087e-02 5.54 -7.304955651e-02 -7.304955651e-02 5.56 -6.964214186e-02 -6.964214186e-02 5.58 -6.631093295e-02 -6.631093295e-02 5.60 -6.304780150e-02 -6.304780150e-02 5.62 -5.984644855e-02 -5.984644855e-02 5.64 -5.670247437e-02 -5.670247437e-02 5.66 -5.361343882e-02 -5.361343882e-02 5.68 -5.057889574e-02 -5.057889574e-02 5.70 -4.760038017e-02 -4.760038017e-02 5.72 -4.468132870e-02 -4.468132870e-02 5.74 -4.182692031e-02 -4.182692031e-02 5.76 -3.904382826e-02 -3.904382826e-02 5.78 -3.633988746e-02 -3.633988746e-02 5.80 -3.372367101e-02 -3.372367101e-02 5.82 -3.120402209e-02 -3.120402209e-02 5.84 -2.878956333e-02 -2.878956333e-02 5.86 -2.648821203e-02 -2.648821203e-02 5.88 -2.430674260e-02 -2.430674260e-02 5.90 -2.225042952e-02 -2.225042952e-02 5.92 -2.032254303e-02 -2.032254303e-02 5.94 -1.852408478e-02 -1.852408478e-02 5.96 -1.685523544e-02 -1.685523544e-02 5.98 -1.531430088e-02 -1.531430088e-02 6.00 -1.389782201e-02 -1.389782201e-02