# 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 = Al2FeMg # 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 1.606133139e+02 1.606133139e+02 1.30 1.484347046e+02 1.484347046e+02 1.32 1.371896164e+02 1.371896164e+02 1.34 1.267994574e+02 1.267994574e+02 1.36 1.171934605e+02 1.171934605e+02 1.38 1.083093570e+02 1.083093570e+02 1.40 1.000921099e+02 1.000921099e+02 1.42 9.249140682e+01 9.249140682e+01 1.44 8.545931404e+01 8.545931404e+01 1.46 7.894924331e+01 7.894924331e+01 1.48 7.291682519e+01 7.291682519e+01 1.50 6.732200535e+01 6.732200535e+01 1.52 6.213048548e+01 6.213048548e+01 1.54 5.731326594e+01 5.731326594e+01 1.56 5.284487680e+01 5.284487680e+01 1.58 4.870171852e+01 4.870171852e+01 1.60 4.486107517e+01 4.486107517e+01 1.62 4.130158435e+01 4.130158435e+01 1.64 3.800521873e+01 3.800521873e+01 1.66 3.495126099e+01 3.495126099e+01 1.68 3.211941196e+01 3.211941196e+01 1.70 2.949110161e+01 2.949110161e+01 1.72 2.705003794e+01 2.705003794e+01 1.74 2.478221862e+01 2.478221862e+01 1.76 2.267545638e+01 2.267545638e+01 1.78 2.071880085e+01 2.071880085e+01 1.80 1.890216336e+01 1.890216336e+01 1.82 1.721618523e+01 1.721618523e+01 1.84 1.565221738e+01 1.565221738e+01 1.86 1.420228891e+01 1.420228891e+01 1.88 1.285900244e+01 1.285900244e+01 1.90 1.161536352e+01 1.161536352e+01 1.92 1.046457968e+01 1.046457968e+01 1.94 9.399888066e+00 9.399888066e+00 1.96 8.414481589e+00 8.414481589e+00 1.98 7.501583054e+00 7.501583054e+00 2.00 6.654661951e+00 6.654661951e+00 2.02 5.867718010e+00 5.867718010e+00 2.04 5.135513891e+00 5.135513891e+00 2.06 4.453660197e+00 4.453660197e+00 2.08 3.818536065e+00 3.818536065e+00 2.10 3.227107521e+00 3.227107521e+00 2.12 2.676726950e+00 2.676726950e+00 2.14 2.164973549e+00 2.164973549e+00 2.16 1.689556073e+00 1.689556073e+00 2.18 1.248271272e+00 1.248271272e+00 2.20 8.390022051e-01 8.390022051e-01 2.22 4.597345239e-01 4.597345239e-01 2.24 1.085770843e-01 1.085770843e-01 2.26 -2.162225626e-01 -2.162225626e-01 2.28 -5.162710957e-01 -5.162710957e-01 2.30 -7.930273187e-01 -7.930273187e-01 2.32 -1.047808080e+00 -1.047808080e+00 2.34 -1.281796357e+00 -1.281796357e+00 2.36 -1.496055740e+00 -1.496055740e+00 2.38 -1.691549055e+00 -1.691549055e+00 2.40 -1.869162237e+00 -1.869162237e+00 2.42 -2.029732822e+00 -2.029732822e+00 2.44 -2.174079667e+00 -2.174079667e+00 2.46 -2.303032225e+00 -2.303032225e+00 2.48 -2.417454867e+00 -2.417454867e+00 2.50 -2.518264676e+00 -2.518264676e+00 2.52 -2.606442105e+00 -2.606442105e+00 2.54 -2.683034865e+00 -2.683034865e+00 2.56 -2.749154297e+00 -2.749154297e+00 2.58 -2.805969938e+00 -2.805969938e+00 2.60 -2.855757392e+00 -2.855757392e+00 2.62 -2.899951319e+00 -2.899951319e+00 2.64 -2.939023471e+00 -2.939023471e+00 2.66 -2.973423144e+00 -2.973423144e+00 2.68 -3.003512337e+00 -3.003512337e+00 2.70 -3.029533036e+00 -3.029533036e+00 2.72 -3.051607929e+00 -3.051607929e+00 2.74 -3.069764755e+00 -3.069764755e+00 2.76 -3.083951436e+00 -3.083951436e+00 2.78 -3.094056941e+00 -3.094056941e+00 2.80 -3.099986938e+00 -3.099986938e+00 2.82 -3.101675770e+00 -3.101675770e+00 2.84 -3.099090489e+00 -3.099090489e+00 2.86 -3.092230095e+00 -3.092230095e+00 2.88 -3.081123250e+00 -3.081123250e+00 2.90 -3.065826226e+00 -3.065826226e+00 2.92 -3.046422608e+00 -3.046422608e+00 2.94 -3.023025717e+00 -3.023025717e+00 2.96 -2.995783961e+00 -2.995783961e+00 2.98 -2.964888282e+00 -2.964888282e+00 3.00 -2.930579747e+00 -2.930579747e+00 3.02 -2.893154368e+00 -2.893154368e+00 3.04 -2.852961808e+00 -2.852961808e+00 3.06 -2.810396676e+00 -2.810396676e+00 3.08 -2.765879651e+00 -2.765879651e+00 3.10 -2.719834586e+00 -2.719834586e+00 3.12 -2.672663365e+00 -2.672663365e+00 3.14 -2.624726257e+00 -2.624726257e+00 3.16 -2.576330216e+00 -2.576330216e+00 3.18 -2.527734480e+00 -2.527734480e+00 3.20 -2.479131253e+00 -2.479131253e+00 3.22 -2.430671226e+00 -2.430671226e+00 3.24 -2.382479125e+00 -2.382479125e+00 3.26 -2.334664354e+00 -2.334664354e+00 3.28 -2.287328315e+00 -2.287328315e+00 3.30 -2.240567741e+00 -2.240567741e+00 3.32 -2.194474479e+00 -2.194474479e+00 3.34 -2.149132811e+00 -2.149132811e+00 3.36 -2.104615730e+00 -2.104615730e+00 3.38 -2.060981479e+00 -2.060981479e+00 3.40 -2.018269598e+00 -2.018269598e+00 3.42 -1.976494346e+00 -1.976494346e+00 3.44 -1.935652012e+00 -1.935652012e+00 3.46 -1.895726574e+00 -1.895726574e+00 3.48 -1.856692327e+00 -1.856692327e+00 3.50 -1.818516846e+00 -1.818516846e+00 3.52 -1.781163764e+00 -1.781163764e+00 3.54 -1.744595113e+00 -1.744595113e+00 3.56 -1.708773116e+00 -1.708773116e+00 3.58 -1.673661436e+00 -1.673661436e+00 3.60 -1.639225936e+00 -1.639225936e+00 3.62 -1.605435049e+00 -1.605435049e+00 3.64 -1.572259850e+00 -1.572259850e+00 3.66 -1.539673934e+00 -1.539673934e+00 3.68 -1.507653174e+00 -1.507653174e+00 3.70 -1.476175403e+00 -1.476175403e+00 3.72 -1.445220096e+00 -1.445220096e+00 3.74 -1.414768047e+00 -1.414768047e+00 3.76 -1.384801089e+00 -1.384801089e+00 3.78 -1.355301833e+00 -1.355301833e+00 3.80 -1.326253443e+00 -1.326253443e+00 3.82 -1.297639426e+00 -1.297639426e+00 3.84 -1.269443413e+00 -1.269443413e+00 3.86 -1.241648933e+00 -1.241648933e+00 3.88 -1.214239161e+00 -1.214239161e+00 3.90 -1.187196660e+00 -1.187196660e+00 3.92 -1.160503026e+00 -1.160503026e+00 3.94 -1.134139141e+00 -1.134139141e+00 3.96 -1.108084348e+00 -1.108084348e+00 3.98 -1.082316962e+00 -1.082316962e+00 4.00 -1.056814275e+00 -1.056814275e+00 4.02 -1.031552861e+00 -1.031552861e+00 4.04 -1.006509041e+00 -1.006509041e+00 4.06 -9.816595238e-01 -9.816595238e-01 4.08 -9.569822451e-01 -9.569822451e-01 4.10 -9.324570884e-01 -9.324570884e-01 4.12 -9.080684348e-01 -9.080684348e-01 4.14 -8.838045016e-01 -8.838045016e-01 4.16 -8.596603382e-01 -8.596603382e-01 4.18 -8.356389803e-01 -8.356389803e-01 4.20 -8.117528570e-01 -8.117528570e-01 4.22 -7.880248636e-01 -7.880248636e-01 4.24 -7.644888810e-01 -7.644888810e-01 4.26 -7.411895312e-01 -7.411895312e-01 4.28 -7.181810097e-01 -7.181810097e-01 4.30 -6.955249328e-01 -6.955249328e-01 4.32 -6.732872772e-01 -6.732872772e-01 4.34 -6.515346336e-01 -6.515346336e-01 4.36 -6.303301276e-01 -6.303301276e-01 4.38 -6.097294375e-01 -6.097294375e-01 4.40 -5.897773394e-01 -5.897773394e-01 4.42 -5.705051292e-01 -5.705051292e-01 4.44 -5.519291367e-01 -5.519291367e-01 4.46 -5.340503764e-01 -5.340503764e-01 4.48 -5.168552297e-01 -5.168552297e-01 4.50 -5.003169395e-01 -5.003169395e-01 4.52 -4.843976407e-01 -4.843976407e-01 4.54 -4.690506502e-01 -4.690506502e-01 4.56 -4.542227806e-01 -4.542227806e-01 4.58 -4.398565033e-01 -4.398565033e-01 4.60 -4.258918619e-01 -4.258918619e-01 4.62 -4.122680959e-01 -4.122680959e-01 4.64 -3.989249883e-01 -3.989249883e-01 4.66 -3.858039837e-01 -3.858039837e-01 4.68 -3.728491411e-01 -3.728491411e-01 4.70 -3.600079931e-01 -3.600079931e-01 4.72 -3.472323761e-01 -3.472323761e-01 4.74 -3.344792861e-01 -3.344792861e-01 4.76 -3.217117952e-01 -3.217117952e-01 4.78 -3.089000384e-01 -3.089000384e-01 4.80 -2.960220779e-01 -2.960220779e-01 4.82 -2.830657276e-01 -2.830657276e-01 4.84 -2.700283469e-01 -2.700283469e-01 4.86 -2.569185172e-01 -2.569185172e-01 4.88 -2.437563721e-01 -2.437563721e-01 4.90 -2.305737373e-01 -2.305737373e-01 4.92 -2.174137398e-01 -2.174137398e-01 4.94 -2.043297980e-01 -2.043297980e-01 4.96 -1.913839548e-01 -1.913839548e-01 4.98 -1.786445871e-01 -1.786445871e-01 5.00 -1.661835970e-01 -1.661835970e-01 5.02 -1.540732717e-01 -1.540732717e-01 5.04 -1.423830440e-01 -1.423830440e-01 5.06 -1.311764154e-01 -1.311764154e-01 5.08 -1.205082903e-01 -1.205082903e-01 5.10 -1.104229241e-01 -1.104229241e-01 5.12 -1.009526134e-01 -1.009526134e-01 5.14 -9.211717193e-02 -9.211717193e-02 5.16 -8.392415142e-02 -8.392415142e-02 5.18 -7.636969872e-02 -7.636969872e-02 5.20 -6.943989656e-02 -6.943989656e-02 5.22 -6.311241649e-02 -6.311241649e-02 5.24 -5.735831757e-02 -5.735831757e-02 5.26 -5.214384729e-02 -5.214384729e-02 5.28 -4.743213680e-02 -4.743213680e-02 5.30 -4.318468224e-02 -4.318468224e-02 5.32 -3.936262961e-02 -3.936262961e-02 5.34 -3.592780046e-02 -3.592780046e-02 5.36 -3.284343242e-02 -3.284343242e-02 5.38 -3.007402422e-02 -3.007402422e-02 5.40 -2.758739535e-02 -2.758739535e-02 5.42 -2.535410519e-02 -2.535410519e-02 5.44 -2.334735789e-02 -2.334735789e-02 5.46 -2.154294328e-02 -2.154294328e-02 5.48 -1.991896391e-02 -1.991896391e-02 5.50 -1.845575520e-02 -1.845575520e-02 5.52 -1.713574466e-02 -1.713574466e-02 5.54 -1.594327750e-02 -1.594327750e-02 5.56 -1.486442905e-02 -1.486442905e-02 5.58 -1.388681818e-02 -1.388681818e-02 5.60 -1.299943132e-02 -1.299943132e-02 5.62 -1.219246244e-02 -1.219246244e-02 5.64 -1.145717121e-02 -1.145717121e-02 5.66 -1.078575949e-02 -1.078575949e-02 5.68 -1.017126471e-02 -1.017126471e-02 5.70 -9.607467902e-03 -9.607467902e-03 5.72 -9.088814152e-03 -9.088814152e-03 5.74 -8.610342946e-03 -8.610342946e-03 5.76 -8.167626668e-03 -8.167626668e-03 5.78 -7.756715617e-03 -7.756715617e-03 5.80 -7.374088450e-03 -7.374088450e-03 5.82 -7.016607280e-03 -7.016607280e-03 5.84 -6.681476930e-03 -6.681476930e-03 5.86 -6.366208032e-03 -6.366208032e-03 5.88 -6.068583768e-03 -6.068583768e-03 5.90 -5.786630139e-03 -5.786630139e-03 5.92 -5.518589644e-03 -5.518589644e-03 5.94 -5.262898285e-03 -5.262898285e-03 5.96 -5.018165775e-03 -5.018165775e-03 5.98 -4.783158824e-03 -4.783158824e-03 6.00 -4.556787355e-03 -4.556787355e-03