# 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 = AgMoNi2 # 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 1.877397898e+02 1.877397898e+02 1.30 1.728957910e+02 1.728957910e+02 1.32 1.592136000e+02 1.592136000e+02 1.34 1.465949371e+02 1.465949371e+02 1.36 1.349497008e+02 1.349497008e+02 1.38 1.241961723e+02 1.241961723e+02 1.40 1.142604110e+02 1.142604110e+02 1.42 1.050756162e+02 1.050756162e+02 1.44 9.658150076e+01 9.658150076e+01 1.46 8.872346120e+01 8.872346120e+01 1.48 8.145176914e+01 8.145176914e+01 1.50 7.472110870e+01 7.472110870e+01 1.52 6.849043533e+01 6.849043533e+01 1.54 6.272280767e+01 6.272280767e+01 1.56 5.738487859e+01 5.738487859e+01 1.58 5.244612430e+01 5.244612430e+01 1.60 4.787820630e+01 4.787820630e+01 1.62 4.365470811e+01 4.365470811e+01 1.64 3.975108539e+01 3.975108539e+01 1.66 3.614571087e+01 3.614571087e+01 1.68 3.281897819e+01 3.281897819e+01 1.70 2.975154201e+01 2.975154201e+01 1.72 2.692446750e+01 2.692446750e+01 1.74 2.431881801e+01 2.431881801e+01 1.76 2.191645324e+01 2.191645324e+01 1.78 1.970025658e+01 1.970025658e+01 1.80 1.765445407e+01 1.765445407e+01 1.82 1.576488984e+01 1.576488984e+01 1.84 1.401914505e+01 1.401914505e+01 1.86 1.240645279e+01 1.240645279e+01 1.88 1.091744076e+01 1.091744076e+01 1.90 9.543790696e+00 9.543790696e+00 1.92 8.277911738e+00 8.277911738e+00 1.94 7.112696034e+00 7.112696034e+00 1.96 6.041383310e+00 6.041383310e+00 1.98 5.057519156e+00 5.057519156e+00 2.00 4.154962096e+00 4.154962096e+00 2.02 3.327892398e+00 3.327892398e+00 2.04 2.570798871e+00 2.570798871e+00 2.06 1.878447925e+00 1.878447925e+00 2.08 1.245854434e+00 1.245854434e+00 2.10 6.682731829e-01 6.682731829e-01 2.12 1.412180481e-01 1.412180481e-01 2.14 -3.394987649e-01 -3.394987649e-01 2.16 -7.777253148e-01 -7.777253148e-01 2.18 -1.176945149e+00 -1.176945149e+00 2.20 -1.540280175e+00 -1.540280175e+00 2.22 -1.870520743e+00 -1.870520743e+00 2.24 -2.170173698e+00 -2.170173698e+00 2.26 -2.441517107e+00 -2.441517107e+00 2.28 -2.686653939e+00 -2.686653939e+00 2.30 -2.907560516e+00 -2.907560516e+00 2.32 -3.106105671e+00 -3.106105671e+00 2.34 -3.283943048e+00 -3.283943048e+00 2.36 -3.442952999e+00 -3.442952999e+00 2.38 -3.584930386e+00 -3.584930386e+00 2.40 -3.711454499e+00 -3.711454499e+00 2.42 -3.823875123e+00 -3.823875123e+00 2.44 -3.923327105e+00 -3.923327105e+00 2.46 -4.010767107e+00 -4.010767107e+00 2.48 -4.086906090e+00 -4.086906090e+00 2.50 -4.152225556e+00 -4.152225556e+00 2.52 -4.207212143e+00 -4.207212143e+00 2.54 -4.252373789e+00 -4.252373789e+00 2.56 -4.288230646e+00 -4.288230646e+00 2.58 -4.315312400e+00 -4.315312400e+00 2.60 -4.334150820e+00 -4.334150820e+00 2.62 -4.345273620e+00 -4.345273620e+00 2.64 -4.349200080e+00 -4.349200080e+00 2.66 -4.346438741e+00 -4.346438741e+00 2.68 -4.337474960e+00 -4.337474960e+00 2.70 -4.322603171e+00 -4.322603171e+00 2.72 -4.302014519e+00 -4.302014519e+00 2.74 -4.275954613e+00 -4.275954613e+00 2.76 -4.244714306e+00 -4.244714306e+00 2.78 -4.208611914e+00 -4.208611914e+00 2.80 -4.168058713e+00 -4.168058713e+00 2.82 -4.123398411e+00 -4.123398411e+00 2.84 -4.074737097e+00 -4.074737097e+00 2.86 -4.022181191e+00 -4.022181191e+00 2.88 -3.965843829e+00 -3.965843829e+00 2.90 -3.905852911e+00 -3.905852911e+00 2.92 -3.842364977e+00 -3.842364977e+00 2.94 -3.775591852e+00 -3.775591852e+00 2.96 -3.705788391e+00 -3.705788391e+00 2.98 -3.633244060e+00 -3.633244060e+00 3.00 -3.558279075e+00 -3.558279075e+00 3.02 -3.481236063e+00 -3.481236063e+00 3.04 -3.402468121e+00 -3.402468121e+00 3.06 -3.322324692e+00 -3.322324692e+00 3.08 -3.241136926e+00 -3.241136926e+00 3.10 -3.159204407e+00 -3.159204407e+00 3.12 -3.076784936e+00 -3.076784936e+00 3.14 -2.994088643e+00 -2.994088643e+00 3.16 -2.911277010e+00 -2.911277010e+00 3.18 -2.828466591e+00 -2.828466591e+00 3.20 -2.745736559e+00 -2.745736559e+00 3.22 -2.663138821e+00 -2.663138821e+00 3.24 -2.580709412e+00 -2.580709412e+00 3.26 -2.498480024e+00 -2.498480024e+00 3.28 -2.416488816e+00 -2.416488816e+00 3.30 -2.334789890e+00 -2.334789890e+00 3.32 -2.253460954e+00 -2.253460954e+00 3.34 -2.172608783e+00 -2.172608783e+00 3.36 -2.092372124e+00 -2.092372124e+00 3.38 -2.012921750e+00 -2.012921750e+00 3.40 -1.934457509e+00 -1.934457509e+00 3.42 -1.857202432e+00 -1.857202432e+00 3.44 -1.781394239e+00 -1.781394239e+00 3.46 -1.707274902e+00 -1.707274902e+00 3.48 -1.635079184e+00 -1.635079184e+00 3.50 -1.565023249e+00 -1.565023249e+00 3.52 -1.497294396e+00 -1.497294396e+00 3.54 -1.432042884e+00 -1.432042884e+00 3.56 -1.369376457e+00 -1.369376457e+00 3.58 -1.309357879e+00 -1.309357879e+00 3.60 -1.252005390e+00 -1.252005390e+00 3.62 -1.197295750e+00 -1.197295750e+00 3.64 -1.145169290e+00 -1.145169290e+00 3.66 -1.095536389e+00 -1.095536389e+00 3.68 -1.048284718e+00 -1.048284718e+00 3.70 -1.003286753e+00 -1.003286753e+00 3.72 -9.604070979e-01 -9.604070979e-01 3.74 -9.195092826e-01 -9.195092826e-01 3.76 -8.804617509e-01 -8.804617509e-01 3.78 -8.431428079e-01 -8.431428079e-01 3.80 -8.074442938e-01 -8.074442938e-01 3.82 -7.732737848e-01 -7.732737848e-01 3.84 -7.405551692e-01 -7.405551692e-01 3.86 -7.092275628e-01 -7.092275628e-01 3.88 -6.792426991e-01 -6.792426991e-01 3.90 -6.505611420e-01 -6.505611420e-01 3.92 -6.231478580e-01 -6.231478580e-01 3.94 -5.969678005e-01 -5.969678005e-01 3.96 -5.719821278e-01 -5.719821278e-01 3.98 -5.481455423e-01 -5.481455423e-01 4.00 -5.254049726e-01 -5.254049726e-01 4.02 -5.036995704e-01 -5.036995704e-01 4.04 -4.829617763e-01 -4.829617763e-01 4.06 -4.631190932e-01 -4.631190932e-01 4.08 -4.440961917e-01 -4.440961917e-01 4.10 -4.258170344e-01 -4.258170344e-01 4.12 -4.082068156e-01 -4.082068156e-01 4.14 -3.911935917e-01 -3.911935917e-01 4.16 -3.747096088e-01 -3.747096088e-01 4.18 -3.586923432e-01 -3.586923432e-01 4.20 -3.430853260e-01 -3.430853260e-01 4.22 -3.278388175e-01 -3.278388175e-01 4.24 -3.129103846e-01 -3.129103846e-01 4.26 -2.982654167e-01 -2.982654167e-01 4.28 -2.838775948e-01 -2.838775948e-01 4.30 -2.697293038e-01 -2.697293038e-01 4.32 -2.558119642e-01 -2.558119642e-01 4.34 -2.421262353e-01 -2.421262353e-01 4.36 -2.286820313e-01 -2.286820313e-01 4.38 -2.154982693e-01 -2.154982693e-01 4.40 -2.026022643e-01 -2.026022643e-01 4.42 -1.900286834e-01 -1.900286834e-01 4.44 -1.778179979e-01 -1.778179979e-01 4.46 -1.660144212e-01 -1.660144212e-01 4.48 -1.546633959e-01 -1.546633959e-01 4.50 -1.438087806e-01 -1.438087806e-01 4.52 -1.334899717e-01 -1.334899717e-01 4.54 -1.237392405e-01 -1.237392405e-01 4.56 -1.145795693e-01 -1.145795693e-01 4.58 -1.060232115e-01 -1.060232115e-01 4.60 -9.807110190e-02 -9.807110190e-02 4.62 -9.071313227e-02 -9.071313227e-02 4.64 -8.392917704e-02 -8.392917704e-02 4.66 -7.769068198e-02 -7.769068198e-02 4.68 -7.196259385e-02 -7.196259385e-02 4.70 -6.670543508e-02 -6.670543508e-02 4.72 -6.187730005e-02 -6.187730005e-02 4.74 -5.743532688e-02 -5.743532688e-02 4.76 -5.333775881e-02 -5.333775881e-02 4.78 -4.954550893e-02 -4.954550893e-02 4.80 -4.602231839e-02 -4.602231839e-02 4.82 -4.273539632e-02 -4.273539632e-02 4.84 -3.965587441e-02 -3.965587441e-02 4.86 -3.675903000e-02 -3.675903000e-02 4.88 -3.402431528e-02 -3.402431528e-02 4.90 -3.143523330e-02 -3.143523330e-02 4.92 -2.897908824e-02 -2.897908824e-02 4.94 -2.664663054e-02 -2.664663054e-02 4.96 -2.443161542e-02 -2.443161542e-02 4.98 -2.233029464e-02 -2.233029464e-02 5.00 -2.034086178e-02 -2.034086178e-02 5.02 -1.846287714e-02 -1.846287714e-02 5.04 -1.669670104e-02 -1.669670104e-02 5.06 -1.504296601e-02 -1.504296601e-02 5.08 -1.350201213e-02 -1.350201213e-02 5.10 -1.207353732e-02 -1.207353732e-02 5.12 -1.075674699e-02 -1.075674699e-02 5.14 -9.549837717e-03 -9.549837717e-03 5.16 -8.449932799e-03 -8.449932799e-03 5.18 -7.453128683e-03 -7.453128683e-03 5.20 -6.554613119e-03 -6.554613119e-03 5.22 -5.748832101e-03 -5.748832101e-03 5.24 -5.029682963e-03 -5.029682963e-03 5.26 -4.390713718e-03 -4.390713718e-03 5.28 -3.825312855e-03 -3.825312855e-03 5.30 -3.326878473e-03 -3.326878473e-03 5.32 -2.888960194e-03 -2.888960194e-03 5.34 -2.505371145e-03 -2.505371145e-03 5.36 -2.170270333e-03 -2.170270333e-03 5.38 -1.878217781e-03 -1.878217781e-03 5.40 -1.624206035e-03 -1.624206035e-03 5.42 -1.403672202e-03 -1.403672202e-03 5.44 -1.212494701e-03 -1.212494701e-03 5.46 -1.046978621e-03 -1.046978621e-03 5.48 -9.038331261e-04 -9.038331261e-04 5.50 -7.801437361e-04 -7.801437361e-04 5.52 -6.733417928e-04 -6.733417928e-04 5.54 -5.811728578e-04 -5.811728578e-04 5.56 -5.016653460e-04 -5.016653460e-04 5.58 -4.331003052e-04 -4.331003052e-04 5.60 -3.739829437e-04 -3.739829437e-04 5.62 -3.230162639e-04 -3.230162639e-04 5.64 -2.790769798e-04 -2.790769798e-04 5.66 -2.411937615e-04 -2.411937615e-04 5.68 -2.085277592e-04 -2.085277592e-04 5.70 -1.803552976e-04 -1.803552976e-04 5.72 -1.560525924e-04 -1.560525924e-04 5.74 -1.350823231e-04 -1.350823231e-04 5.76 -1.169818860e-04 -1.169818860e-04 5.78 -1.013531551e-04 -1.013531551e-04 5.80 -8.785358450e-05 -8.785358450e-05 5.82 -7.618849417e-05 -7.618849417e-05 5.84 -6.610439791e-05 -6.610439791e-05 5.86 -5.738324123e-05 -5.738324123e-05 5.88 -4.983743288e-05 -4.983743288e-05 5.90 -4.330556555e-05 -4.330556555e-05 5.92 -3.764873364e-05 -3.764873364e-05 5.94 -3.274736717e-05 -3.274736717e-05 5.96 -2.849851113e-05 -2.849851113e-05 5.98 -2.481348859e-05 -2.481348859e-05 6.00 -2.161589403e-05 -2.161589403e-05