# 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 = CuMo2Ti # 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 2.367925639e+02 2.367925639e+02 1.30 2.187361514e+02 2.187361514e+02 1.32 2.020758453e+02 2.020758453e+02 1.34 1.866897584e+02 1.866897584e+02 1.36 1.724627631e+02 1.724627631e+02 1.38 1.592886632e+02 1.592886632e+02 1.40 1.470724817e+02 1.470724817e+02 1.42 1.357316802e+02 1.357316802e+02 1.44 1.251957132e+02 1.251957132e+02 1.46 1.154041383e+02 1.154041383e+02 1.48 1.063041182e+02 1.063041182e+02 1.50 9.784830441e+01 9.784830441e+01 1.52 8.999358440e+01 8.999358440e+01 1.54 8.270047429e+01 8.270047429e+01 1.56 7.593271309e+01 7.593271309e+01 1.58 6.965681173e+01 6.965681173e+01 1.60 6.384156538e+01 6.384156538e+01 1.62 5.845761624e+01 5.845761624e+01 1.64 5.347705877e+01 5.347705877e+01 1.66 4.887303427e+01 4.887303427e+01 1.68 4.461936740e+01 4.461936740e+01 1.70 4.069037482e+01 4.069037482e+01 1.72 3.706090051e+01 3.706090051e+01 1.74 3.370650788e+01 3.370650788e+01 1.76 3.060372730e+01 3.060372730e+01 1.78 2.773193570e+01 2.773193570e+01 1.80 2.507444846e+01 2.507444846e+01 1.82 2.261248462e+01 2.261248462e+01 1.84 2.032930923e+01 2.032930923e+01 1.86 1.821077501e+01 1.821077501e+01 1.88 1.624506475e+01 1.624506475e+01 1.90 1.442222258e+01 1.442222258e+01 1.92 1.273360293e+01 1.273360293e+01 1.94 1.117137832e+01 1.117137832e+01 1.96 9.728197464e+00 9.728197464e+00 1.98 8.396995555e+00 8.396995555e+00 2.00 7.170895209e+00 7.170895209e+00 2.02 6.043137224e+00 6.043137224e+00 2.04 5.007023524e+00 5.007023524e+00 2.06 4.055891578e+00 4.055891578e+00 2.08 3.183143470e+00 3.183143470e+00 2.10 2.382332455e+00 2.382332455e+00 2.12 1.647285832e+00 1.647285832e+00 2.14 9.722322357e-01 9.722322357e-01 2.16 3.519038369e-01 3.519038369e-01 2.18 -2.184078275e-01 -2.184078275e-01 2.20 -7.428514319e-01 -7.428514319e-01 2.22 -1.225066010e+00 -1.225066010e+00 2.24 -1.668263180e+00 -1.668263180e+00 2.26 -2.075317830e+00 -2.075317830e+00 2.28 -2.448847564e+00 -2.448847564e+00 2.30 -2.791269036e+00 -2.791269036e+00 2.32 -3.104828650e+00 -3.104828650e+00 2.34 -3.391608343e+00 -3.391608343e+00 2.36 -3.653516483e+00 -3.653516483e+00 2.38 -3.892277180e+00 -3.892277180e+00 2.40 -4.109431253e+00 -4.109431253e+00 2.42 -4.306352877e+00 -4.306352877e+00 2.44 -4.484276267e+00 -4.484276267e+00 2.46 -4.644323419e+00 -4.644323419e+00 2.48 -4.787525691e+00 -4.787525691e+00 2.50 -4.914836728e+00 -4.914836728e+00 2.52 -5.027137811e+00 -5.027137811e+00 2.54 -5.125157491e+00 -5.125157491e+00 2.56 -5.209449732e+00 -5.209449732e+00 2.58 -5.280905544e+00 -5.280905544e+00 2.60 -5.340351438e+00 -5.340351438e+00 2.62 -5.388531439e+00 -5.388531439e+00 2.64 -5.426129205e+00 -5.426129205e+00 2.66 -5.453789244e+00 -5.453789244e+00 2.68 -5.472135365e+00 -5.472135365e+00 2.70 -5.481799114e+00 -5.481799114e+00 2.72 -5.483122117e+00 -5.483122117e+00 2.74 -5.476148176e+00 -5.476148176e+00 2.76 -5.460978487e+00 -5.460978487e+00 2.78 -5.437766534e+00 -5.437766534e+00 2.80 -5.406704254e+00 -5.406704254e+00 2.82 -5.368016017e+00 -5.368016017e+00 2.84 -5.321960998e+00 -5.321960998e+00 2.86 -5.268890158e+00 -5.268890158e+00 2.88 -5.209288297e+00 -5.209288297e+00 2.90 -5.143313719e+00 -5.143313719e+00 2.92 -5.071206636e+00 -5.071206636e+00 2.94 -4.993338071e+00 -4.993338071e+00 2.96 -4.910196956e+00 -4.910196956e+00 2.98 -4.822369989e+00 -4.822369989e+00 3.00 -4.730513728e+00 -4.730513728e+00 3.02 -4.635319439e+00 -4.635319439e+00 3.04 -4.537483914e+00 -4.537483914e+00 3.06 -4.437674864e+00 -4.437674864e+00 3.08 -4.336471327e+00 -4.336471327e+00 3.10 -4.234332648e+00 -4.234332648e+00 3.12 -4.131583371e+00 -4.131583371e+00 3.14 -4.028413308e+00 -4.028413308e+00 3.16 -3.924890200e+00 -3.924890200e+00 3.18 -3.820982475e+00 -3.820982475e+00 3.20 -3.716586827e+00 -3.716586827e+00 3.22 -3.611557476e+00 -3.611557476e+00 3.24 -3.505734650e+00 -3.505734650e+00 3.26 -3.398971045e+00 -3.398971045e+00 3.28 -3.291155695e+00 -3.291155695e+00 3.30 -3.182234853e+00 -3.182234853e+00 3.32 -3.072229428e+00 -3.072229428e+00 3.34 -2.961248234e+00 -2.961248234e+00 3.36 -2.849496139e+00 -2.849496139e+00 3.38 -2.737276158e+00 -2.737276158e+00 3.40 -2.624984768e+00 -2.624984768e+00 3.42 -2.513100284e+00 -2.513100284e+00 3.44 -2.402164548e+00 -2.402164548e+00 3.46 -2.292759413e+00 -2.292759413e+00 3.48 -2.185479660e+00 -2.185479660e+00 3.50 -2.080904728e+00 -2.080904728e+00 3.52 -1.979571596e+00 -1.979571596e+00 3.54 -1.881950990e+00 -1.881950990e+00 3.56 -1.788428616e+00 -1.788428616e+00 3.58 -1.699292588e+00 -1.699292588e+00 3.60 -1.614727640e+00 -1.614727640e+00 3.62 -1.534816138e+00 -1.534816138e+00 3.64 -1.459545281e+00 -1.459545281e+00 3.66 -1.388819349e+00 -1.388819349e+00 3.68 -1.322475408e+00 -1.322475408e+00 3.70 -1.260300664e+00 -1.260300664e+00 3.72 -1.202049765e+00 -1.202049765e+00 3.74 -1.147460633e+00 -1.147460633e+00 3.76 -1.096267852e+00 -1.096267852e+00 3.78 -1.048213063e+00 -1.048213063e+00 3.80 -1.003052233e+00 -1.003052233e+00 3.82 -9.605599251e-01 -9.605599251e-01 3.84 -9.205309507e-01 -9.205309507e-01 3.86 -8.827799224e-01 -8.827799224e-01 3.88 -8.471393454e-01 -8.471393454e-01 3.90 -8.134568952e-01 -8.134568952e-01 3.92 -7.815924692e-01 -7.815924692e-01 3.94 -7.514156292e-01 -7.514156292e-01 3.96 -7.228033924e-01 -7.228033924e-01 3.98 -6.956389715e-01 -6.956389715e-01 4.00 -6.698110465e-01 -6.698110465e-01 4.02 -6.452135776e-01 -6.452135776e-01 4.04 -6.217459400e-01 -6.217459400e-01 4.06 -5.993132020e-01 -5.993132020e-01 4.08 -5.778264053e-01 -5.778264053e-01 4.10 -5.572026881e-01 -5.572026881e-01 4.12 -5.373657288e-01 -5.373657288e-01 4.14 -5.182450706e-01 -5.182450706e-01 4.16 -4.997765345e-01 -4.997765345e-01 4.18 -4.819025246e-01 -4.819025246e-01 4.20 -4.645713836e-01 -4.645713836e-01 4.22 -4.477374454e-01 -4.477374454e-01 4.24 -4.313611617e-01 -4.313611617e-01 4.26 -4.154092806e-01 -4.154092806e-01 4.28 -3.998550662e-01 -3.998550662e-01 4.30 -3.846785187e-01 -3.846785187e-01 4.32 -3.698665338e-01 -3.698665338e-01 4.34 -3.554129230e-01 -3.554129230e-01 4.36 -3.413182081e-01 -3.413182081e-01 4.38 -3.275891155e-01 -3.275891155e-01 4.40 -3.142377160e-01 -3.142377160e-01 4.42 -3.012802030e-01 -3.012802030e-01 4.44 -2.887353512e-01 -2.887353512e-01 4.46 -2.766227576e-01 -2.766227576e-01 4.48 -2.649610112e-01 -2.649610112e-01 4.50 -2.537659621e-01 -2.537659621e-01 4.52 -2.430492580e-01 -2.430492580e-01 4.54 -2.328172799e-01 -2.328172799e-01 4.56 -2.230705548e-01 -2.230705548e-01 4.58 -2.138036561e-01 -2.138036561e-01 4.60 -2.050055433e-01 -2.050055433e-01 4.62 -1.966602455e-01 -1.966602455e-01 4.64 -1.887477735e-01 -1.887477735e-01 4.66 -1.812451389e-01 -1.812451389e-01 4.68 -1.741273799e-01 -1.741273799e-01 4.70 -1.673685126e-01 -1.673685126e-01 4.72 -1.609423604e-01 -1.609423604e-01 4.74 -1.548232368e-01 -1.548232368e-01 4.76 -1.489864803e-01 -1.489864803e-01 4.78 -1.434088534e-01 -1.434088534e-01 4.80 -1.380687837e-01 -1.380687837e-01 4.82 -1.329467298e-01 -1.329467298e-01 4.84 -1.280250272e-01 -1.280250272e-01 4.86 -1.232881460e-01 -1.232881460e-01 4.88 -1.187226646e-01 -1.187226646e-01 4.90 -1.143172566e-01 -1.143172566e-01 4.92 -1.100626388e-01 -1.100626388e-01 4.94 -1.059514765e-01 -1.059514765e-01 4.96 -1.019782369e-01 -1.019782369e-01 4.98 -9.813898617e-02 -9.813898617e-02 5.00 -9.443112734e-02 -9.443112734e-02 5.02 -9.085308547e-02 -9.085308547e-02 5.04 -8.740395387e-02 -8.740395387e-02 5.06 -8.408312450e-02 -8.408312450e-02 5.08 -8.088989086e-02 -8.088989086e-02 5.10 -7.782311623e-02 -7.782311623e-02 5.12 -7.488120611e-02 -7.488120611e-02 5.14 -7.206176929e-02 -7.206176929e-02 5.16 -6.936153062e-02 -6.936153062e-02 5.18 -6.677634310e-02 -6.677634310e-02 5.20 -6.430126971e-02 -6.430126971e-02 5.22 -6.193071407e-02 -6.193071407e-02 5.24 -5.965857785e-02 -5.965857785e-02 5.26 -5.747842486e-02 -5.747842486e-02 5.28 -5.538363609e-02 -5.538363609e-02 5.30 -5.336754524e-02 -5.336754524e-02 5.32 -5.142354894e-02 -5.142354894e-02 5.34 -4.954519207e-02 -4.954519207e-02 5.36 -4.772622888e-02 -4.772622888e-02 5.38 -4.596066361e-02 -4.596066361e-02 5.40 -4.424277701e-02 -4.424277701e-02 5.42 -4.256714363e-02 -4.256714363e-02 5.44 -4.092864505e-02 -4.092864505e-02 5.46 -3.932248383e-02 -3.932248383e-02 5.48 -3.774420197e-02 -3.774420197e-02 5.50 -3.618970726e-02 -3.618970726e-02 5.52 -3.465530955e-02 -3.465530955e-02 5.54 -3.313776902e-02 -3.313776902e-02 5.56 -3.163435304e-02 -3.163435304e-02 5.58 -3.014290579e-02 -3.014290579e-02 5.60 -2.866192450e-02 -2.866192450e-02 5.62 -2.719063767e-02 -2.719063767e-02 5.64 -2.572907914e-02 -2.572907914e-02 5.66 -2.427815009e-02 -2.427815009e-02 5.68 -2.283965957e-02 -2.283965957e-02 5.70 -2.141633383e-02 -2.141633383e-02 5.72 -2.001178538e-02 -2.001178538e-02 5.74 -1.863043462e-02 -1.863043462e-02 5.76 -1.727737761e-02 -1.727737761e-02 5.78 -1.595805216e-02 -1.595805216e-02 5.80 -1.467830271e-02 -1.467830271e-02 5.82 -1.344410852e-02 -1.344410852e-02 5.84 -1.226119800e-02 -1.226119800e-02 5.86 -1.113478819e-02 -1.113478819e-02 5.88 -1.006935203e-02 -1.006935203e-02 5.90 -9.068431530e-03 -9.068431530e-03 5.92 -8.134509904e-03 -8.134509904e-03 5.94 -7.268949351e-03 -7.268949351e-03 5.96 -6.471994138e-03 -6.471994138e-03 5.98 -5.742832486e-03 -5.742832486e-03 6.00 -5.079705968e-03 -5.079705968e-03