# 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 = AuFeW2 # 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 3.853990304e+02 3.853990304e+02 1.30 3.552363481e+02 3.552363481e+02 1.32 3.274476533e+02 3.274476533e+02 1.34 3.018234833e+02 3.018234833e+02 1.36 2.781749047e+02 2.781749047e+02 1.38 2.563338711e+02 2.563338711e+02 1.40 2.361521219e+02 2.361521219e+02 1.42 2.174982024e+02 2.174982024e+02 1.44 2.002538693e+02 2.002538693e+02 1.46 1.843112703e+02 1.843112703e+02 1.48 1.695713809e+02 1.695713809e+02 1.50 1.559433012e+02 1.559433012e+02 1.52 1.433437384e+02 1.433437384e+02 1.54 1.316962996e+02 1.316962996e+02 1.56 1.209306318e+02 1.209306318e+02 1.58 1.109815941e+02 1.109815941e+02 1.60 1.017885526e+02 1.017885526e+02 1.62 9.329477361e+01 9.329477361e+01 1.64 8.544687222e+01 8.544687222e+01 1.66 7.819436180e+01 7.819436180e+01 1.68 7.148942261e+01 7.148942261e+01 1.70 6.528698957e+01 6.528698957e+01 1.72 5.954513746e+01 5.954513746e+01 1.74 5.422561065e+01 5.422561065e+01 1.76 4.929427181e+01 4.929427181e+01 1.78 4.472125311e+01 4.472125311e+01 1.80 4.048069453e+01 4.048069453e+01 1.82 3.655011893e+01 3.655011893e+01 1.84 3.291010326e+01 3.291010326e+01 1.86 2.954359554e+01 2.954359554e+01 1.88 2.643462753e+01 2.643462753e+01 1.90 2.357747158e+01 2.357747158e+01 1.92 2.095700318e+01 2.095700318e+01 1.94 1.855557694e+01 1.855557694e+01 1.96 1.635631678e+01 1.635631678e+01 1.98 1.434317635e+01 1.434317635e+01 2.00 1.250100134e+01 1.250100134e+01 2.02 1.081556272e+01 1.081556272e+01 2.04 9.273549673e+00 9.273549673e+00 2.06 7.862527035e+00 7.862527035e+00 2.08 6.570878596e+00 6.570878596e+00 2.10 5.387767060e+00 5.387767060e+00 2.12 4.303134266e+00 4.303134266e+00 2.14 3.307744251e+00 3.307744251e+00 2.16 2.393247740e+00 2.393247740e+00 2.18 1.552233294e+00 1.552233294e+00 2.20 7.782341923e-01 7.782341923e-01 2.22 6.567750217e-02 6.567750217e-02 2.24 -5.902177482e-01 -5.902177482e-01 2.26 -1.193572591e+00 -1.193572591e+00 2.28 -1.747986204e+00 -1.747986204e+00 2.30 -2.256660659e+00 -2.256660659e+00 2.32 -2.722501419e+00 -2.722501419e+00 2.34 -3.148190695e+00 -3.148190695e+00 2.36 -3.536236468e+00 -3.536236468e+00 2.38 -3.889002595e+00 -3.889002595e+00 2.40 -4.208725957e+00 -4.208725957e+00 2.42 -4.497520502e+00 -4.497520502e+00 2.44 -4.757219333e+00 -4.757219333e+00 2.46 -4.989800879e+00 -4.989800879e+00 2.48 -5.197249254e+00 -5.197249254e+00 2.50 -5.381407149e+00 -5.381407149e+00 2.52 -5.543983776e+00 -5.543983776e+00 2.54 -5.686561460e+00 -5.686561460e+00 2.56 -5.810601358e+00 -5.810601358e+00 2.58 -5.917365722e+00 -5.917365722e+00 2.60 -6.007452383e+00 -6.007452383e+00 2.62 -6.081239146e+00 -6.081239146e+00 2.64 -6.139151733e+00 -6.139151733e+00 2.66 -6.181640571e+00 -6.181640571e+00 2.68 -6.209162616e+00 -6.209162616e+00 2.70 -6.222170199e+00 -6.222170199e+00 2.72 -6.221106716e+00 -6.221106716e+00 2.74 -6.206407869e+00 -6.206407869e+00 2.76 -6.178506747e+00 -6.178506747e+00 2.78 -6.137841504e+00 -6.137841504e+00 2.80 -6.084865195e+00 -6.084865195e+00 2.82 -6.020057852e+00 -6.020057852e+00 2.84 -5.943940905e+00 -5.943940905e+00 2.86 -5.857093562e+00 -5.857093562e+00 2.88 -5.760169857e+00 -5.760169857e+00 2.90 -5.653935399e+00 -5.653935399e+00 2.92 -5.539307864e+00 -5.539307864e+00 2.94 -5.417152360e+00 -5.417152360e+00 2.96 -5.288437711e+00 -5.288437711e+00 2.98 -5.154236700e+00 -5.154236700e+00 3.00 -5.015685027e+00 -5.015685027e+00 3.02 -4.873944880e+00 -4.873944880e+00 3.04 -4.730155441e+00 -4.730155441e+00 3.06 -4.585377836e+00 -4.585377836e+00 3.08 -4.440549436e+00 -4.440549436e+00 3.10 -4.296460698e+00 -4.296460698e+00 3.12 -4.153708464e+00 -4.153708464e+00 3.14 -4.012581041e+00 -4.012581041e+00 3.16 -3.873185850e+00 -3.873185850e+00 3.18 -3.735517443e+00 -3.735517443e+00 3.20 -3.599483527e+00 -3.599483527e+00 3.22 -3.464934061e+00 -3.464934061e+00 3.24 -3.331689919e+00 -3.331689919e+00 3.26 -3.199568769e+00 -3.199568769e+00 3.28 -3.068407101e+00 -3.068407101e+00 3.30 -2.938078425e+00 -2.938078425e+00 3.32 -2.808508270e+00 -2.808508270e+00 3.34 -2.679686746e+00 -2.679686746e+00 3.36 -2.551679126e+00 -2.551679126e+00 3.38 -2.424634230e+00 -2.424634230e+00 3.40 -2.298789687e+00 -2.298789687e+00 3.42 -2.174472663e+00 -2.174472663e+00 3.44 -2.052094473e+00 -2.052094473e+00 3.46 -1.932137995e+00 -1.932137995e+00 3.48 -1.815137677e+00 -1.815137677e+00 3.50 -1.701653170e+00 -1.701653170e+00 3.52 -1.592238825e+00 -1.592238825e+00 3.54 -1.487412149e+00 -1.487412149e+00 3.56 -1.387624630e+00 -1.387624630e+00 3.58 -1.293238002e+00 -1.293238002e+00 3.60 -1.204508148e+00 -1.204508148e+00 3.62 -1.121577638e+00 -1.121577638e+00 3.64 -1.044476704e+00 -1.044476704e+00 3.66 -9.731314469e-01 -9.731314469e-01 3.68 -9.073774029e-01 -9.073774029e-01 3.70 -8.469764025e-01 -8.469764025e-01 3.72 -7.916347057e-01 -7.916347057e-01 3.74 -7.410207651e-01 -7.410207651e-01 3.76 -6.947814038e-01 -6.947814038e-01 3.78 -6.525556694e-01 -6.525556694e-01 3.80 -6.139860291e-01 -6.139860291e-01 3.82 -5.787268932e-01 -5.787268932e-01 3.84 -5.464506694e-01 -5.464506694e-01 3.86 -5.168516758e-01 -5.168516758e-01 3.88 -4.896482972e-01 -4.896482972e-01 3.90 -4.645837677e-01 -4.645837677e-01 3.92 -4.414259330e-01 -4.414259330e-01 3.94 -4.199663017e-01 -4.199663017e-01 3.96 -4.000186329e-01 -4.000186329e-01 3.98 -3.814172652e-01 -3.814172652e-01 4.00 -3.640153367e-01 -3.640153367e-01 4.02 -3.476830071e-01 -3.476830071e-01 4.04 -3.323057604e-01 -3.323057604e-01 4.06 -3.177828429e-01 -3.177828429e-01 4.08 -3.040258645e-01 -3.040258645e-01 4.10 -2.909574777e-01 -2.909574777e-01 4.12 -2.785103874e-01 -2.785103874e-01 4.14 -2.666268588e-01 -2.666268588e-01 4.16 -2.552575405e-01 -2.552575405e-01 4.18 -2.443608545e-01 -2.443608545e-01 4.20 -2.339024491e-01 -2.339024491e-01 4.22 -2.238546445e-01 -2.238546445e-01 4.24 -2.141958243e-01 -2.141958243e-01 4.26 -2.049097328e-01 -2.049097328e-01 4.28 -1.959846473e-01 -1.959846473e-01 4.30 -1.874124237e-01 -1.874124237e-01 4.32 -1.791874354e-01 -1.791874354e-01 4.34 -1.713054602e-01 -1.713054602e-01 4.36 -1.637625889e-01 -1.637625889e-01 4.38 -1.565542412e-01 -1.565542412e-01 4.40 -1.496743654e-01 -1.496743654e-01 4.42 -1.431148814e-01 -1.431148814e-01 4.44 -1.368653946e-01 -1.368653946e-01 4.46 -1.309131690e-01 -1.309131690e-01 4.48 -1.252431954e-01 -1.252431954e-01 4.50 -1.198384941e-01 -1.198384941e-01 4.52 -1.146813502e-01 -1.146813502e-01 4.54 -1.097530977e-01 -1.097530977e-01 4.56 -1.050345853e-01 -1.050345853e-01 4.58 -1.005066517e-01 -1.005066517e-01 4.60 -9.615052056e-02 -9.615052056e-02 4.62 -9.194811708e-02 -9.194811708e-02 4.64 -8.788231242e-02 -8.788231242e-02 4.66 -8.393711299e-02 -8.393711299e-02 4.68 -8.009781053e-02 -8.009781053e-02 4.70 -7.635110937e-02 -7.635110937e-02 4.72 -7.268524479e-02 -7.268524479e-02 4.74 -6.909010179e-02 -6.909010179e-02 4.76 -6.555733949e-02 -6.555733949e-02 4.78 -6.208052043e-02 -6.208052043e-02 4.80 -5.865523840e-02 -5.865523840e-02 4.82 -5.527923629e-02 -5.527923629e-02 4.84 -5.195248975e-02 -5.195248975e-02 4.86 -4.867724768e-02 -4.867724768e-02 4.88 -4.545799981e-02 -4.545799981e-02 4.90 -4.230135487e-02 -4.230135487e-02 4.92 -3.921581365e-02 -3.921581365e-02 4.94 -3.621143011e-02 -3.621143011e-02 4.96 -3.329936558e-02 -3.329936558e-02 4.98 -3.049135262e-02 -3.049135262e-02 5.00 -2.779910124e-02 -2.779910124e-02 5.02 -2.523368801e-02 -2.523368801e-02 5.04 -2.280497457e-02 -2.280497457e-02 5.06 -2.052110209e-02 -2.052110209e-02 5.08 -1.838810074e-02 -1.838810074e-02 5.10 -1.640943864e-02 -1.640943864e-02 5.12 -1.458623536e-02 -1.458623536e-02 5.14 -1.291749037e-02 -1.291749037e-02 5.16 -1.139991479e-02 -1.139991479e-02 5.18 -1.002822396e-02 -1.002822396e-02 5.20 -8.795495896e-03 -8.795495896e-03 5.22 -7.693559289e-03 -7.693559289e-03 5.24 -6.713380439e-03 -6.713380439e-03 5.26 -5.845424532e-03 -5.845424532e-03 5.28 -5.079974503e-03 -5.079974503e-03 5.30 -4.407397906e-03 -4.407397906e-03 5.32 -3.818358508e-03 -3.818358508e-03 5.34 -3.303974140e-03 -3.303974140e-03 5.36 -2.855925610e-03 -2.855925610e-03 5.38 -2.466523380e-03 -2.466523380e-03 5.40 -2.128739496e-03 -2.128739496e-03 5.42 -1.836212203e-03 -1.836212203e-03 5.44 -1.583230100e-03 -1.583230100e-03 5.46 -1.364701823e-03 -1.364701823e-03 5.48 -1.176116218e-03 -1.176116218e-03 5.50 -1.013496995e-03 -1.013496995e-03 5.52 -8.733549294e-04 -8.733549294e-04 5.54 -7.526398696e-04 -7.526398696e-04 5.56 -6.486941577e-04 -6.486941577e-04 5.58 -5.592085277e-04 -5.592085277e-04 5.60 -4.821811339e-04 -4.821811339e-04 5.62 -4.158800480e-04 -4.158800480e-04 5.64 -3.588093372e-04 -3.588093372e-04 5.66 -3.096786754e-04 -3.096786754e-04 5.68 -2.673763329e-04 -2.673763329e-04 5.70 -2.309453269e-04 -2.309453269e-04 5.72 -1.995624750e-04 -1.995624750e-04 5.74 -1.725200827e-04 -1.725200827e-04 5.76 -1.492099930e-04 -1.492099930e-04 5.78 -1.291097374e-04 -1.291097374e-04 5.80 -1.117705439e-04 -1.117705439e-04 5.82 -9.680697461e-05 -9.680697461e-05 5.84 -8.388798852e-05 -8.388798852e-05 5.86 -7.272924461e-05 -7.272924461e-05 5.88 -6.308648163e-05 -6.308648163e-05 5.90 -5.474982927e-05 -5.474982927e-05 5.92 -4.753892383e-05 -4.753892383e-05 5.94 -4.129871692e-05 -4.129871692e-05 5.96 -3.589588077e-05 -3.589588077e-05 5.98 -3.121572611e-05 -3.121572611e-05 6.00 -2.715956023e-05 -2.715956023e-05