# 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 = CoMo2Pt # 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 2.979287447e+02 2.979287447e+02 1.30 2.764762696e+02 2.764762696e+02 1.32 2.565265051e+02 2.565265051e+02 1.34 2.379645176e+02 2.379645176e+02 1.36 2.206954125e+02 2.206954125e+02 1.38 2.046350196e+02 2.046350196e+02 1.40 1.897023758e+02 1.897023758e+02 1.42 1.758165899e+02 1.758165899e+02 1.44 1.628976666e+02 1.628976666e+02 1.46 1.508691777e+02 1.508691777e+02 1.48 1.396606495e+02 1.396606495e+02 1.50 1.292085852e+02 1.292085852e+02 1.52 1.194560057e+02 1.194560057e+02 1.54 1.103511179e+02 1.103511179e+02 1.56 1.018460732e+02 1.018460732e+02 1.58 9.389620370e+01 9.389620370e+01 1.60 8.645948872e+01 8.645948872e+01 1.62 7.949613095e+01 7.949613095e+01 1.64 7.296848967e+01 7.296848967e+01 1.66 6.684159938e+01 6.684159938e+01 1.68 6.108415179e+01 6.108415179e+01 1.70 5.566948756e+01 5.566948756e+01 1.72 5.057604211e+01 5.057604211e+01 1.74 4.578690629e+01 4.578690629e+01 1.76 4.128866448e+01 4.128866448e+01 1.78 3.707300984e+01 3.707300984e+01 1.80 3.314130234e+01 3.314130234e+01 1.82 2.954268062e+01 2.954268062e+01 1.84 2.626586448e+01 2.626586448e+01 1.86 2.328578243e+01 2.328578243e+01 1.88 2.057728691e+01 2.057728691e+01 1.90 1.811577787e+01 1.811577787e+01 1.92 1.587785630e+01 1.587785630e+01 1.94 1.384181706e+01 1.384181706e+01 1.96 1.198791029e+01 1.198791029e+01 1.98 1.029841921e+01 1.029841921e+01 2.00 8.757619653e+00 8.757619653e+00 2.02 7.351641223e+00 7.351641223e+00 2.04 6.068235235e+00 6.068235235e+00 2.06 4.896487219e+00 4.896487219e+00 2.08 3.826537972e+00 3.826537972e+00 2.10 2.849367550e+00 2.849367550e+00 2.12 1.956666679e+00 1.956666679e+00 2.14 1.140792215e+00 1.140792215e+00 2.16 3.947833653e-01 3.947833653e-01 2.18 -2.875978842e-01 -2.875978842e-01 2.20 -9.118416346e-01 -9.118416346e-01 2.22 -1.482707570e+00 -1.482707570e+00 2.24 -2.004290326e+00 -2.004290326e+00 2.26 -2.480118729e+00 -2.480118729e+00 2.28 -2.913267508e+00 -2.913267508e+00 2.30 -3.306463415e+00 -3.306463415e+00 2.32 -3.662175579e+00 -3.662175579e+00 2.34 -3.982686726e+00 -3.982686726e+00 2.36 -4.270146061e+00 -4.270146061e+00 2.38 -4.526606186e+00 -4.526606186e+00 2.40 -4.754046866e+00 -4.754046866e+00 2.42 -4.954388598e+00 -4.954388598e+00 2.44 -5.129499425e+00 -5.129499425e+00 2.46 -5.281198746e+00 -5.281198746e+00 2.48 -5.411260821e+00 -5.411260821e+00 2.50 -5.521417385e+00 -5.521417385e+00 2.52 -5.613354512e+00 -5.613354512e+00 2.54 -5.688616376e+00 -5.688616376e+00 2.56 -5.748588498e+00 -5.748588498e+00 2.58 -5.795962760e+00 -5.795962760e+00 2.60 -5.832298138e+00 -5.832298138e+00 2.62 -5.858508566e+00 -5.858508566e+00 2.64 -5.875307240e+00 -5.875307240e+00 2.66 -5.883231167e+00 -5.883231167e+00 2.68 -5.882686150e+00 -5.882686150e+00 2.70 -5.873944992e+00 -5.873944992e+00 2.72 -5.856899418e+00 -5.856899418e+00 2.74 -5.831405922e+00 -5.831405922e+00 2.76 -5.797388110e+00 -5.797388110e+00 2.78 -5.754835991e+00 -5.754835991e+00 2.80 -5.703827780e+00 -5.703827780e+00 2.82 -5.644520177e+00 -5.644520177e+00 2.84 -5.577144337e+00 -5.577144337e+00 2.86 -5.502008209e+00 -5.502008209e+00 2.88 -5.419504328e+00 -5.419504328e+00 2.90 -5.330120299e+00 -5.330120299e+00 2.92 -5.234432124e+00 -5.234432124e+00 2.94 -5.133082664e+00 -5.133082664e+00 2.96 -5.026814785e+00 -5.026814785e+00 2.98 -4.916454261e+00 -4.916454261e+00 3.00 -4.802870430e+00 -4.802870430e+00 3.02 -4.686926629e+00 -4.686926629e+00 3.04 -4.569427803e+00 -4.569427803e+00 3.06 -4.451073811e+00 -4.451073811e+00 3.08 -4.332425665e+00 -4.332425665e+00 3.10 -4.213888784e+00 -4.213888784e+00 3.12 -4.095713540e+00 -4.095713540e+00 3.14 -3.978010340e+00 -3.978010340e+00 3.16 -3.860774713e+00 -3.860774713e+00 3.18 -3.743917719e+00 -3.743917719e+00 3.20 -3.627297661e+00 -3.627297661e+00 3.22 -3.510750399e+00 -3.510750399e+00 3.24 -3.394116753e+00 -3.394116753e+00 3.26 -3.277266351e+00 -3.277266351e+00 3.28 -3.160117759e+00 -3.160117759e+00 3.30 -3.042709553e+00 -3.042709553e+00 3.32 -2.925411589e+00 -2.925411589e+00 3.34 -2.808726635e+00 -2.808726635e+00 3.36 -2.693203277e+00 -2.693203277e+00 3.38 -2.579422649e+00 -2.579422649e+00 3.40 -2.467978143e+00 -2.467978143e+00 3.42 -2.359450369e+00 -2.359450369e+00 3.44 -2.254380211e+00 -2.254380211e+00 3.46 -2.153243197e+00 -2.153243197e+00 3.48 -2.056428144e+00 -2.056428144e+00 3.50 -1.964222433e+00 -1.964222433e+00 3.52 -1.876805193e+00 -1.876805193e+00 3.54 -1.794248481e+00 -1.794248481e+00 3.56 -1.716525492e+00 -1.716525492e+00 3.58 -1.643524001e+00 -1.643524001e+00 3.60 -1.575062968e+00 -1.575062968e+00 3.62 -1.510910208e+00 -1.510910208e+00 3.64 -1.450799421e+00 -1.450799421e+00 3.66 -1.394445369e+00 -1.394445369e+00 3.68 -1.341556481e+00 -1.341556481e+00 3.70 -1.291844678e+00 -1.291844678e+00 3.72 -1.245032488e+00 -1.245032488e+00 3.74 -1.200857779e+00 -1.200857779e+00 3.76 -1.159076526e+00 -1.159076526e+00 3.78 -1.119464037e+00 -1.119464037e+00 3.80 -1.081815064e+00 -1.081815064e+00 3.82 -1.045943146e+00 -1.045943146e+00 3.84 -1.011679476e+00 -1.011679476e+00 3.86 -9.788715191e-01 -9.788715191e-01 3.88 -9.473815533e-01 -9.473815533e-01 3.90 -9.170852534e-01 -9.170852534e-01 3.92 -8.878704146e-01 -8.878704146e-01 3.94 -8.596358798e-01 -8.596358798e-01 3.96 -8.322906990e-01 -8.322906990e-01 3.98 -8.057535676e-01 -8.057535676e-01 4.00 -7.799525342e-01 -7.799525342e-01 4.02 -7.548249722e-01 -7.548249722e-01 4.04 -7.303177743e-01 -7.303177743e-01 4.06 -7.063877036e-01 -7.063877036e-01 4.08 -6.830017945e-01 -6.830017945e-01 4.10 -6.601376658e-01 -6.601376658e-01 4.12 -6.377836069e-01 -6.377836069e-01 4.14 -6.159382075e-01 -6.159382075e-01 4.16 -5.946094750e-01 -5.946094750e-01 4.18 -5.738132882e-01 -5.738132882e-01 4.20 -5.535712189e-01 -5.535712189e-01 4.22 -5.339078344e-01 -5.339078344e-01 4.24 -5.148476972e-01 -5.148476972e-01 4.26 -4.964123558e-01 -4.964123558e-01 4.28 -4.786176418e-01 -4.786176418e-01 4.30 -4.614715538e-01 -4.614715538e-01 4.32 -4.449728896e-01 -4.449728896e-01 4.34 -4.291107150e-01 -4.291107150e-01 4.36 -4.138646123e-01 -4.138646123e-01 4.38 -3.992061509e-01 -3.992061509e-01 4.40 -3.850990273e-01 -3.850990273e-01 4.42 -3.715006966e-01 -3.715006966e-01 4.44 -3.583647407e-01 -3.583647407e-01 4.46 -3.456423223e-01 -3.456423223e-01 4.48 -3.332834799e-01 -3.332834799e-01 4.50 -3.212382384e-01 -3.212382384e-01 4.52 -3.094575308e-01 -3.094575308e-01 4.54 -2.978938175e-01 -2.978938175e-01 4.56 -2.865022575e-01 -2.865022575e-01 4.58 -2.752410838e-01 -2.752410838e-01 4.60 -2.640721633e-01 -2.640721633e-01 4.62 -2.529617405e-01 -2.529617405e-01 4.64 -2.418812325e-01 -2.418812325e-01 4.66 -2.308080829e-01 -2.308080829e-01 4.68 -2.197266571e-01 -2.197266571e-01 4.70 -2.086291345e-01 -2.086291345e-01 4.72 -1.975163229e-01 -1.975163229e-01 4.74 -1.863983042e-01 -1.863983042e-01 4.76 -1.752948026e-01 -1.752948026e-01 4.78 -1.642351671e-01 -1.642351671e-01 4.80 -1.532578766e-01 -1.532578766e-01 4.82 -1.424095110e-01 -1.424095110e-01 4.84 -1.317431736e-01 -1.317431736e-01 4.86 -1.213164259e-01 -1.213164259e-01 4.88 -1.111888399e-01 -1.111888399e-01 4.90 -1.014193370e-01 -1.014193370e-01 4.92 -9.206351114e-02 -9.206351114e-02 4.94 -8.317114101e-02 -8.317114101e-02 4.96 -7.478408056e-02 -7.478408056e-02 4.98 -6.693467285e-02 -6.693467285e-02 5.00 -5.964477772e-02 -5.964477772e-02 5.02 -5.292544122e-02 -5.292544122e-02 5.04 -4.677717186e-02 -4.677717186e-02 5.06 -4.119075497e-02 -4.119075497e-02 5.08 -3.614846820e-02 -3.614846820e-02 5.10 -3.162556182e-02 -3.162556182e-02 5.12 -2.759186923e-02 -2.759186923e-02 5.14 -2.401343471e-02 -2.401343471e-02 5.16 -2.085405773e-02 -2.085405773e-02 5.18 -1.807664185e-02 -1.807664185e-02 5.20 -1.564408425e-02 -1.564408425e-02 5.22 -1.352039762e-02 -1.352039762e-02 5.24 -1.167203701e-02 -1.167203701e-02 5.26 -1.006751660e-02 -1.006751660e-02 5.28 -8.677737344e-03 -8.677737344e-03 5.30 -7.476165914e-03 -7.476165914e-03 5.32 -6.438876215e-03 -6.438876215e-03 5.34 -5.544491586e-03 -5.544491586e-03 5.36 -4.774059537e-03 -4.774059537e-03 5.38 -4.110884285e-03 -4.110884285e-03 5.40 -3.540336499e-03 -3.540336499e-03 5.42 -3.049654469e-03 -3.049654469e-03 5.44 -2.627746735e-03 -2.627746735e-03 5.46 -2.265002881e-03 -2.265002881e-03 5.48 -1.953116637e-03 -1.953116637e-03 5.50 -1.684923581e-03 -1.684923581e-03 5.52 -1.454254359e-03 -1.454254359e-03 5.54 -1.255803455e-03 -1.255803455e-03 5.56 -1.085012913e-03 -1.085012913e-03 5.58 -9.379700475e-04 -9.379700475e-04 5.60 -8.113180040e-04 -8.113180040e-04 5.62 -7.021779127e-04 -7.021779127e-04 5.64 -6.080814048e-04 -6.080814048e-04 5.66 -5.269122931e-04 -5.269122931e-04 5.68 -4.568563025e-04 -4.568563025e-04 5.70 -3.963578286e-04 -3.963578286e-04 5.72 -3.440828033e-04 -3.440828033e-04 5.74 -2.988868468e-04 -2.988868468e-04 5.76 -2.597879810e-04 -2.597879810e-04 5.78 -2.259432694e-04 -2.259432694e-04 5.80 -1.966288286e-04 -1.966288286e-04 5.82 -1.712227337e-04 -1.712227337e-04 5.84 -1.491903989e-04 -1.491903989e-04 5.86 -1.300720790e-04 -1.300720790e-04 5.88 -1.134721821e-04 -1.134721821e-04 5.90 -9.905013132e-05 -9.905013132e-05 5.92 -8.651254896e-05 -8.651254896e-05 5.94 -7.560657013e-05 -7.560657013e-05 5.96 -6.611412119e-05 -6.611412119e-05 5.98 -5.784702172e-05 -5.784702172e-05 6.00 -5.064279000e-05 -5.064279000e-05