# 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 = Al2CuMo # 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 1.233093922e+02 1.233093922e+02 1.30 1.142813119e+02 1.142813119e+02 1.32 1.059188767e+02 1.059188767e+02 1.34 9.816529689e+01 9.816529689e+01 1.36 9.096788370e+01 9.096788370e+01 1.38 8.428010277e+01 8.428010277e+01 1.40 7.806180036e+01 7.806180036e+01 1.42 7.227759387e+01 7.227759387e+01 1.44 6.689459467e+01 6.689459467e+01 1.46 6.188092083e+01 6.188092083e+01 1.48 5.720598179e+01 5.720598179e+01 1.50 5.284214313e+01 5.284214313e+01 1.52 4.876612909e+01 4.876612909e+01 1.54 4.495892398e+01 4.495892398e+01 1.56 4.140449636e+01 4.140449636e+01 1.58 3.808842838e+01 3.808842838e+01 1.60 3.499704606e+01 3.499704606e+01 1.62 3.211843355e+01 3.211843355e+01 1.64 2.944052026e+01 2.944052026e+01 1.66 2.694939186e+01 2.694939186e+01 1.68 2.463093311e+01 2.463093311e+01 1.70 2.247258319e+01 2.247258319e+01 1.72 2.046474493e+01 2.046474493e+01 1.74 1.859613853e+01 1.859613853e+01 1.76 1.685668372e+01 1.685668372e+01 1.78 1.523751308e+01 1.523751308e+01 1.80 1.373078768e+01 1.373078768e+01 1.82 1.232955363e+01 1.232955363e+01 1.84 1.102760658e+01 1.102760658e+01 1.86 9.819329563e+00 9.819329563e+00 1.88 8.699502222e+00 8.699502222e+00 1.90 7.663101204e+00 7.663101204e+00 1.92 6.705120123e+00 6.705120123e+00 1.94 5.820445123e+00 5.820445123e+00 1.96 5.003822966e+00 5.003822966e+00 1.98 4.249941254e+00 4.249941254e+00 2.00 3.553602490e+00 3.553602490e+00 2.02 2.909929996e+00 2.909929996e+00 2.04 2.314519860e+00 2.314519860e+00 2.06 1.763477192e+00 1.763477192e+00 2.08 1.253341380e+00 1.253341380e+00 2.10 7.809633240e-01 7.809633240e-01 2.12 3.434051629e-01 3.434051629e-01 2.14 -6.210206592e-02 -6.210206592e-02 2.16 -4.381477973e-01 -4.381477973e-01 2.18 -7.871049430e-01 -7.871049430e-01 2.20 -1.111093987e+00 -1.111093987e+00 2.22 -1.411965620e+00 -1.411965620e+00 2.24 -1.691307051e+00 -1.691307051e+00 2.26 -1.950468139e+00 -1.950468139e+00 2.28 -2.190599032e+00 -2.190599032e+00 2.30 -2.412690091e+00 -2.412690091e+00 2.32 -2.617606457e+00 -2.617606457e+00 2.34 -2.806112338e+00 -2.806112338e+00 2.36 -2.978799353e+00 -2.978799353e+00 2.38 -3.136266260e+00 -3.136266260e+00 2.40 -3.279160004e+00 -3.279160004e+00 2.42 -3.408068143e+00 -3.408068143e+00 2.44 -3.523552924e+00 -3.523552924e+00 2.46 -3.626184740e+00 -3.626184740e+00 2.48 -3.716570822e+00 -3.716570822e+00 2.50 -3.795376883e+00 -3.795376883e+00 2.52 -3.863341645e+00 -3.863341645e+00 2.54 -3.921224244e+00 -3.921224244e+00 2.56 -3.969731320e+00 -3.969731320e+00 2.58 -4.009649341e+00 -4.009649341e+00 2.60 -4.041846482e+00 -4.041846482e+00 2.62 -4.067231934e+00 -4.067231934e+00 2.64 -4.086697995e+00 -4.086697995e+00 2.66 -4.101056543e+00 -4.101056543e+00 2.68 -4.111025434e+00 -4.111025434e+00 2.70 -4.117349283e+00 -4.117349283e+00 2.72 -4.120176276e+00 -4.120176276e+00 2.74 -4.119506425e+00 -4.119506425e+00 2.76 -4.116229282e+00 -4.116229282e+00 2.78 -4.110412215e+00 -4.110412215e+00 2.80 -4.101544881e+00 -4.101544881e+00 2.82 -4.089192631e+00 -4.089192631e+00 2.84 -4.073009274e+00 -4.073009274e+00 2.86 -4.052758974e+00 -4.052758974e+00 2.88 -4.028289504e+00 -4.028289504e+00 2.90 -3.999527780e+00 -3.999527780e+00 2.92 -3.966481602e+00 -3.966481602e+00 2.94 -3.929251416e+00 -3.929251416e+00 2.96 -3.888033760e+00 -3.888033760e+00 2.98 -3.843094216e+00 -3.843094216e+00 3.00 -3.794757992e+00 -3.794757992e+00 3.02 -3.743398992e+00 -3.743398992e+00 3.04 -3.689424945e+00 -3.689424945e+00 3.06 -3.633258372e+00 -3.633258372e+00 3.08 -3.575314025e+00 -3.575314025e+00 3.10 -3.515975131e+00 -3.515975131e+00 3.12 -3.455571675e+00 -3.455571675e+00 3.14 -3.394364451e+00 -3.394364451e+00 3.16 -3.332537311e+00 -3.332537311e+00 3.18 -3.270198647e+00 -3.270198647e+00 3.20 -3.207390750e+00 -3.207390750e+00 3.22 -3.144104729e+00 -3.144104729e+00 3.24 -3.080298235e+00 -3.080298235e+00 3.26 -3.015913620e+00 -3.015913620e+00 3.28 -2.950894904e+00 -2.950894904e+00 3.30 -2.885202577e+00 -2.885202577e+00 3.32 -2.818825734e+00 -2.818825734e+00 3.34 -2.751791248e+00 -2.751791248e+00 3.36 -2.684169752e+00 -2.684169752e+00 3.38 -2.616078185e+00 -2.616078185e+00 3.40 -2.547678749e+00 -2.547678749e+00 3.42 -2.479174280e+00 -2.479174280e+00 3.44 -2.410800258e+00 -2.410800258e+00 3.46 -2.342814121e+00 -2.342814121e+00 3.48 -2.275482763e+00 -2.275482763e+00 3.50 -2.209069398e+00 -2.209069398e+00 3.52 -2.143821013e+00 -2.143821013e+00 3.54 -2.079957559e+00 -2.079957559e+00 3.56 -2.017663735e+00 -2.017663735e+00 3.58 -1.957083858e+00 -1.957083858e+00 3.60 -1.898319928e+00 -1.898319928e+00 3.62 -1.841432612e+00 -1.841432612e+00 3.64 -1.786444644e+00 -1.786444644e+00 3.66 -1.733345988e+00 -1.733345988e+00 3.68 -1.682100055e+00 -1.682100055e+00 3.70 -1.632650361e+00 -1.632650361e+00 3.72 -1.584927039e+00 -1.584927039e+00 3.74 -1.538852800e+00 -1.538852800e+00 3.76 -1.494347972e+00 -1.494347972e+00 3.78 -1.451334399e+00 -1.451334399e+00 3.80 -1.409738056e+00 -1.409738056e+00 3.82 -1.369490335e+00 -1.369490335e+00 3.84 -1.330528089e+00 -1.330528089e+00 3.86 -1.292792655e+00 -1.292792655e+00 3.88 -1.256228158e+00 -1.256228158e+00 3.90 -1.220779504e+00 -1.220779504e+00 3.92 -1.186390439e+00 -1.186390439e+00 3.94 -1.153002062e+00 -1.153002062e+00 3.96 -1.120551888e+00 -1.120551888e+00 3.98 -1.088973683e+00 -1.088973683e+00 4.00 -1.058197914e+00 -1.058197914e+00 4.02 -1.028152726e+00 -1.028152726e+00 4.04 -9.987652822e-01 -9.987652822e-01 4.06 -9.699633369e-01 -9.699633369e-01 4.08 -9.416769254e-01 -9.416769254e-01 4.10 -9.138401110e-01 -9.138401110e-01 4.12 -8.863928798e-01 -8.863928798e-01 4.14 -8.592828632e-01 -8.592828632e-01 4.16 -8.324672876e-01 -8.324672876e-01 4.18 -8.059147615e-01 -8.059147615e-01 4.20 -7.796069244e-01 -7.796069244e-01 4.22 -7.535397739e-01 -7.535397739e-01 4.24 -7.277244737e-01 -7.277244737e-01 4.26 -7.021874350e-01 -7.021874350e-01 4.28 -6.769694980e-01 -6.769694980e-01 4.30 -6.521241164e-01 -6.521241164e-01 4.32 -6.277145656e-01 -6.277145656e-01 4.34 -6.038103263e-01 -6.038103263e-01 4.36 -5.804829250e-01 -5.804829250e-01 4.38 -5.578015909e-01 -5.578015909e-01 4.40 -5.358291184e-01 -5.358291184e-01 4.42 -5.146182788e-01 -5.146182788e-01 4.44 -4.942090382e-01 -4.942090382e-01 4.46 -4.746267190e-01 -4.746267190e-01 4.48 -4.558811317e-01 -4.558811317e-01 4.50 -4.379666070e-01 -4.379666070e-01 4.52 -4.208628014e-01 -4.208628014e-01 4.54 -4.045361109e-01 -4.045361109e-01 4.56 -3.889415207e-01 -3.889415207e-01 4.58 -3.740247294e-01 -3.740247294e-01 4.60 -3.597244026e-01 -3.597244026e-01 4.62 -3.459744003e-01 -3.459744003e-01 4.64 -3.327059108e-01 -3.327059108e-01 4.66 -3.198494518e-01 -3.198494518e-01 4.68 -3.073367027e-01 -3.073367027e-01 4.70 -2.951021016e-01 -2.951021016e-01 4.72 -2.830837919e-01 -2.830837919e-01 4.74 -2.712263442e-01 -2.712263442e-01 4.76 -2.594812534e-01 -2.594812534e-01 4.78 -2.478077546e-01 -2.478077546e-01 4.80 -2.361739936e-01 -2.361739936e-01 4.82 -2.245581085e-01 -2.245581085e-01 4.84 -2.129490137e-01 -2.129490137e-01 4.86 -2.013470629e-01 -2.013470629e-01 4.88 -1.897643203e-01 -1.897643203e-01 4.90 -1.782244219e-01 -1.782244219e-01 4.92 -1.667619282e-01 -1.667619282e-01 4.94 -1.554211115e-01 -1.554211115e-01 4.96 -1.442541706e-01 -1.442541706e-01 4.98 -1.333189227e-01 -1.333189227e-01 5.00 -1.226760929e-01 -1.226760929e-01 5.02 -1.123863788e-01 -1.123863788e-01 5.04 -1.025075080e-01 -1.025075080e-01 5.06 -9.309151774e-02 -9.309151774e-02 5.08 -8.418246838e-02 -8.418246838e-02 5.10 -7.581475087e-02 -7.581475087e-02 5.12 -6.801208020e-02 -6.801208020e-02 5.14 -6.078719080e-02 -6.078719080e-02 5.16 -5.414217823e-02 -5.414217823e-02 5.18 -4.806937693e-02 -4.806937693e-02 5.20 -4.255263006e-02 -4.255263006e-02 5.22 -3.756879880e-02 -3.756879880e-02 5.24 -3.308937099e-02 -3.308937099e-02 5.26 -2.908203079e-02 -2.908203079e-02 5.28 -2.551211468e-02 -2.551211468e-02 5.30 -2.234387972e-02 -2.234387972e-02 5.32 -1.954157952e-02 -1.954157952e-02 5.34 -1.707031023e-02 -1.707031023e-02 5.36 -1.489663996e-02 -1.489663996e-02 5.38 -1.298871761e-02 -1.298871761e-02 5.40 -1.131730416e-02 -1.131730416e-02 5.42 -9.855705473e-03 -9.855705473e-03 5.44 -8.579494892e-03 -8.579494892e-03 5.46 -7.466533623e-03 -7.466533623e-03 5.48 -6.496914539e-03 -6.496914539e-03 5.50 -5.652854473e-03 -5.652854473e-03 5.52 -4.918554429e-03 -4.918554429e-03 5.54 -4.280042361e-03 -4.280042361e-03 5.56 -3.725009184e-03 -3.725009184e-03 5.58 -3.242645571e-03 -3.242645571e-03 5.60 -2.823484596e-03 -2.823484596e-03 5.62 -2.459253492e-03 -2.459253492e-03 5.64 -2.142736358e-03 -2.142736358e-03 5.66 -1.867648706e-03 -1.867648706e-03 5.68 -1.628524020e-03 -1.628524020e-03 5.70 -1.420612043e-03 -1.420612043e-03 5.72 -1.239788191e-03 -1.239788191e-03 5.74 -1.082473341e-03 -1.082473341e-03 5.76 -9.455631128e-04 -9.455631128e-04 5.78 -8.263657658e-04 -8.263657658e-04 5.80 -7.225478360e-04 -7.225478360e-04 5.82 -6.320866605e-04 -6.320866605e-04 5.84 -5.532290140e-04 -5.532290140e-04 5.86 -4.844551289e-04 -4.844551289e-04 5.88 -4.244474465e-04 -4.244474465e-04 5.90 -3.720635057e-04 -3.720635057e-04 5.92 -3.263124461e-04 -3.263124461e-04 5.94 -2.863346561e-04 -2.863346561e-04 5.96 -2.513841571e-04 -2.513841571e-04 5.98 -2.208133607e-04 -2.208133607e-04 6.00 -1.940598841e-04 -1.940598841e-04