# 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 = AlCuPt2 # 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 2.276461275e+02 2.276461275e+02 1.30 2.118610950e+02 2.118610950e+02 1.32 1.971073923e+02 1.971073923e+02 1.34 1.833205115e+02 1.833205115e+02 1.36 1.704376834e+02 1.704376834e+02 1.38 1.583936644e+02 1.583936644e+02 1.40 1.471230874e+02 1.471230874e+02 1.42 1.365657359e+02 1.365657359e+02 1.44 1.266688523e+02 1.266688523e+02 1.46 1.173872888e+02 1.173872888e+02 1.48 1.086837411e+02 1.086837411e+02 1.50 1.005267842e+02 1.005267842e+02 1.52 9.288564842e+01 9.288564842e+01 1.54 8.572559118e+01 8.572559118e+01 1.56 7.900734394e+01 7.900734394e+01 1.58 7.268985815e+01 7.268985815e+01 1.60 6.673367067e+01 6.673367067e+01 1.62 6.110344506e+01 6.110344506e+01 1.64 5.576969754e+01 5.576969754e+01 1.66 5.070986654e+01 5.070986654e+01 1.68 4.591239929e+01 4.591239929e+01 1.70 4.145757068e+01 4.145757068e+01 1.72 3.736495190e+01 3.736495190e+01 1.74 3.361436482e+01 3.361436482e+01 1.76 3.018286000e+01 3.018286000e+01 1.78 2.704559136e+01 2.704559136e+01 1.80 2.417690098e+01 2.417690098e+01 1.82 2.155207211e+01 2.155207211e+01 1.84 1.914888425e+01 1.914888425e+01 1.86 1.694832839e+01 1.694832839e+01 1.88 1.493430603e+01 1.493430603e+01 1.90 1.309258840e+01 1.309258840e+01 1.92 1.140966722e+01 1.140966722e+01 1.94 9.872150294e+00 9.872150294e+00 1.96 8.466928260e+00 8.466928260e+00 1.98 7.181777885e+00 7.181777885e+00 2.00 6.005860546e+00 6.005860546e+00 2.02 4.929823311e+00 4.929823311e+00 2.04 3.945574244e+00 3.945574244e+00 2.06 3.045957498e+00 3.045957498e+00 2.08 2.224484141e+00 2.224484141e+00 2.10 1.475154457e+00 1.475154457e+00 2.12 7.923517438e-01 7.923517438e-01 2.14 1.707901893e-01 1.707901893e-01 2.16 -3.944898890e-01 -3.944898890e-01 2.18 -9.080909726e-01 -9.080909726e-01 2.20 -1.374214263e+00 -1.374214263e+00 2.22 -1.796627385e+00 -1.796627385e+00 2.24 -2.178659130e+00 -2.178659130e+00 2.26 -2.523224190e+00 -2.523224190e+00 2.28 -2.832872645e+00 -2.832872645e+00 2.30 -3.109854970e+00 -3.109854970e+00 2.32 -3.356192049e+00 -3.356192049e+00 2.34 -3.573739953e+00 -3.573739953e+00 2.36 -3.764243656e+00 -3.764243656e+00 2.38 -3.929379711e+00 -3.929379711e+00 2.40 -4.070791998e+00 -4.070791998e+00 2.42 -4.190123186e+00 -4.190123186e+00 2.44 -4.289206307e+00 -4.289206307e+00 2.46 -4.371934137e+00 -4.371934137e+00 2.48 -4.440123194e+00 -4.440123194e+00 2.50 -4.494869807e+00 -4.494869807e+00 2.52 -4.537395588e+00 -4.537395588e+00 2.54 -4.568998142e+00 -4.568998142e+00 2.56 -4.590988657e+00 -4.590988657e+00 2.58 -4.604624046e+00 -4.604624046e+00 2.60 -4.611046028e+00 -4.611046028e+00 2.62 -4.611238176e+00 -4.611238176e+00 2.64 -4.606005535e+00 -4.606005535e+00 2.66 -4.595974389e+00 -4.595974389e+00 2.68 -4.581606655e+00 -4.581606655e+00 2.70 -4.563222830e+00 -4.563222830e+00 2.72 -4.541028435e+00 -4.541028435e+00 2.74 -4.515139874e+00 -4.515139874e+00 2.76 -4.485607327e+00 -4.485607327e+00 2.78 -4.452434351e+00 -4.452434351e+00 2.80 -4.415852038e+00 -4.415852038e+00 2.82 -4.376273939e+00 -4.376273939e+00 2.84 -4.333417091e+00 -4.333417091e+00 2.86 -4.287039638e+00 -4.287039638e+00 2.88 -4.237007540e+00 -4.237007540e+00 2.90 -4.183310076e+00 -4.183310076e+00 2.92 -4.126073418e+00 -4.126073418e+00 2.94 -4.065566421e+00 -4.065566421e+00 2.96 -4.002192897e+00 -4.002192897e+00 2.98 -3.936466965e+00 -3.936466965e+00 3.00 -3.868975941e+00 -3.868975941e+00 3.02 -3.800341669e+00 -3.800341669e+00 3.04 -3.731156475e+00 -3.731156475e+00 3.06 -3.661932552e+00 -3.661932552e+00 3.08 -3.593074783e+00 -3.593074783e+00 3.10 -3.524871178e+00 -3.524871178e+00 3.12 -3.457497830e+00 -3.457497830e+00 3.14 -3.391033721e+00 -3.391033721e+00 3.16 -3.325480266e+00 -3.325480266e+00 3.18 -3.260781950e+00 -3.260781950e+00 3.20 -3.196845430e+00 -3.196845430e+00 3.22 -3.133555980e+00 -3.133555980e+00 3.24 -3.070790894e+00 -3.070790894e+00 3.26 -3.008429994e+00 -3.008429994e+00 3.28 -2.946363631e+00 -2.946363631e+00 3.30 -2.884498518e+00 -2.884498518e+00 3.32 -2.822764228e+00 -2.822764228e+00 3.34 -2.761159543e+00 -2.761159543e+00 3.36 -2.699738742e+00 -2.699738742e+00 3.38 -2.638564475e+00 -2.638564475e+00 3.40 -2.577706782e+00 -2.577706782e+00 3.42 -2.517242363e+00 -2.517242363e+00 3.44 -2.457252717e+00 -2.457252717e+00 3.46 -2.397821622e+00 -2.397821622e+00 3.48 -2.339032315e+00 -2.339032315e+00 3.50 -2.280964705e+00 -2.280964705e+00 3.52 -2.223692871e+00 -2.223692871e+00 3.54 -2.167282981e+00 -2.167282981e+00 3.56 -2.111791730e+00 -2.111791730e+00 3.58 -2.057265305e+00 -2.057265305e+00 3.60 -2.003738857e+00 -2.003738857e+00 3.62 -1.951236447e+00 -1.951236447e+00 3.64 -1.899771424e+00 -1.899771424e+00 3.66 -1.849347178e+00 -1.849347178e+00 3.68 -1.799958217e+00 -1.799958217e+00 3.70 -1.751591541e+00 -1.751591541e+00 3.72 -1.704228200e+00 -1.704228200e+00 3.74 -1.657844980e+00 -1.657844980e+00 3.76 -1.612416063e+00 -1.612416063e+00 3.78 -1.567914535e+00 -1.567914535e+00 3.80 -1.524313583e+00 -1.524313583e+00 3.82 -1.481587257e+00 -1.481587257e+00 3.84 -1.439710743e+00 -1.439710743e+00 3.86 -1.398660170e+00 -1.398660170e+00 3.88 -1.358412065e+00 -1.358412065e+00 3.90 -1.318942684e+00 -1.318942684e+00 3.92 -1.280227412e+00 -1.280227412e+00 3.94 -1.242240522e+00 -1.242240522e+00 3.96 -1.204955341e+00 -1.204955341e+00 3.98 -1.168344986e+00 -1.168344986e+00 4.00 -1.132383550e+00 -1.132383550e+00 4.02 -1.097047650e+00 -1.097047650e+00 4.04 -1.062318131e+00 -1.062318131e+00 4.06 -1.028181756e+00 -1.028181756e+00 4.08 -9.946326340e-01 -9.946326340e-01 4.10 -9.616732163e-01 -9.616732163e-01 4.12 -9.293147349e-01 -9.293147349e-01 4.14 -8.975768077e-01 -8.975768077e-01 4.16 -8.664864108e-01 -8.664864108e-01 4.18 -8.360760829e-01 -8.360760829e-01 4.20 -8.063815991e-01 -8.063815991e-01 4.22 -7.774393406e-01 -7.774393406e-01 4.24 -7.492836459e-01 -7.492836459e-01 4.26 -7.219444125e-01 -7.219444125e-01 4.28 -6.954451537e-01 -6.954451537e-01 4.30 -6.698016086e-01 -6.698016086e-01 4.32 -6.450209014e-01 -6.450209014e-01 4.34 -6.211011642e-01 -6.211011642e-01 4.36 -5.980315076e-01 -5.980315076e-01 4.38 -5.757922259e-01 -5.757922259e-01 4.40 -5.543551637e-01 -5.543551637e-01 4.42 -5.336842077e-01 -5.336842077e-01 4.44 -5.137359028e-01 -5.137359028e-01 4.46 -4.944602064e-01 -4.944602064e-01 4.48 -4.758013967e-01 -4.758013967e-01 4.50 -4.576991448e-01 -4.576991448e-01 4.52 -4.400897468e-01 -4.400897468e-01 4.54 -4.229075075e-01 -4.229075075e-01 4.56 -4.060862584e-01 -4.060862584e-01 4.58 -3.895609933e-01 -3.895609933e-01 4.60 -3.732696005e-01 -3.732696005e-01 4.62 -3.571546741e-01 -3.571546741e-01 4.64 -3.411653738e-01 -3.411653738e-01 4.66 -3.252592981e-01 -3.252592981e-01 4.68 -3.094043122e-01 -3.094043122e-01 4.70 -2.935802489e-01 -2.935802489e-01 4.72 -2.777803723e-01 -2.777803723e-01 4.74 -2.620124690e-01 -2.620124690e-01 4.76 -2.462994144e-01 -2.462994144e-01 4.78 -2.306790647e-01 -2.306790647e-01 4.80 -2.152033449e-01 -2.152033449e-01 4.82 -1.999365051e-01 -1.999365051e-01 4.84 -1.849524583e-01 -1.849524583e-01 4.86 -1.703314490e-01 -1.703314490e-01 4.88 -1.561561592e-01 -1.561561592e-01 4.90 -1.425075847e-01 -1.425075847e-01 4.92 -1.294610136e-01 -1.294610136e-01 4.94 -1.170824391e-01 -1.170824391e-01 4.96 -1.054256914e-01 -1.054256914e-01 4.98 -9.453048185e-02 -9.453048185e-02 5.00 -8.442144405e-02 -8.442144405e-02 5.02 -7.510814261e-02 -7.510814261e-02 5.04 -6.658592962e-02 -6.658592962e-02 5.06 -5.883746275e-02 -5.883746275e-02 5.08 -5.183466985e-02 -5.183466985e-02 5.10 -4.554094513e-02 -4.554094513e-02 5.12 -3.991338739e-02 -3.991338739e-02 5.14 -3.490493682e-02 -3.490493682e-02 5.16 -3.046627748e-02 -3.046627748e-02 5.18 -2.654747969e-02 -2.654747969e-02 5.20 -2.309933168e-02 -2.309933168e-02 5.22 -2.007436322e-02 -2.007436322e-02 5.24 -1.742758996e-02 -1.742758996e-02 5.26 -1.511695686e-02 -1.511695686e-02 5.28 -1.310451793e-02 -1.310451793e-02 5.30 -1.135485318e-02 -1.135485318e-02 5.32 -9.835480524e-03 -9.835480524e-03 5.34 -8.517425026e-03 -8.517425026e-03 5.36 -7.374975630e-03 -7.374975630e-03 5.38 -6.385418512e-03 -6.385418512e-03 5.40 -5.528763689e-03 -5.528763689e-03 5.42 -4.787475845e-03 -4.787475845e-03 5.44 -4.146216456e-03 -4.146216456e-03 5.46 -3.591601512e-03 -3.591601512e-03 5.48 -3.111977282e-03 -3.111977282e-03 5.50 -2.697215217e-03 -2.697215217e-03 5.52 -2.338526147e-03 -2.338526147e-03 5.54 -2.028293319e-03 -2.028293319e-03 5.56 -1.759923379e-03 -1.759923379e-03 5.58 -1.527714131e-03 -1.527714131e-03 5.60 -1.326737788e-03 -1.326737788e-03 5.62 -1.152738319e-03 -1.152738319e-03 5.64 -1.002041541e-03 -1.002041541e-03 5.66 -8.714766090e-04 -8.714766090e-04 5.68 -7.583076526e-04 -7.583076526e-04 5.70 -6.601743816e-04 -6.601743816e-04 5.72 -5.750405848e-04 -5.750405848e-04 5.74 -5.011495471e-04 -5.011495471e-04 5.76 -4.369855086e-04 -4.369855086e-04 5.78 -3.812403834e-04 -3.812403834e-04 5.80 -3.327850483e-04 -3.327850483e-04 5.82 -2.906445910e-04 -2.906445910e-04 5.84 -2.539769842e-04 -2.539769842e-04 5.86 -2.220547191e-04 -2.220547191e-04 5.88 -1.942489923e-04 -1.942489923e-04 5.90 -1.700160945e-04 -1.700160945e-04 5.92 -1.488856943e-04 -1.488856943e-04 5.94 -1.304507540e-04 -1.304507540e-04 5.96 -1.143588495e-04 -1.143588495e-04 5.98 -1.003046974e-04 -1.003046974e-04 6.00 -8.802372139e-05 -8.802372139e-05