# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Aslam-I-Baskes-M-I-Dickel-D-E-et-al--Fe-Mn-Si-C # implementation = 2019--Aslam-I--Fe-Mn-Si-C--LAMMPS--ipr1 # composition = C2FeSi # 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 2022-05-24 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 4.506575735e+02 4.506575735e+02 1.00 4.448459164e+02 4.448459164e+02 1.02 4.350122800e+02 4.350122800e+02 1.04 4.213706004e+02 4.213706004e+02 1.06 4.044379522e+02 4.044379522e+02 1.08 3.848768289e+02 3.848768289e+02 1.10 3.633906090e+02 3.633906090e+02 1.12 3.406573923e+02 3.406573923e+02 1.14 3.172910283e+02 3.172910283e+02 1.16 2.938210215e+02 2.938210215e+02 1.18 2.706852761e+02 2.706852761e+02 1.20 2.482311888e+02 2.482311888e+02 1.22 2.267218754e+02 2.267218754e+02 1.24 2.063452598e+02 2.063452598e+02 1.26 1.872244539e+02 1.872244539e+02 1.28 1.694283745e+02 1.694283745e+02 1.30 1.529819174e+02 1.529819174e+02 1.32 1.378752873e+02 1.378752873e+02 1.34 1.240722687e+02 1.240722687e+02 1.36 1.115173596e+02 1.115173596e+02 1.38 1.001417732e+02 1.001417732e+02 1.40 8.986837294e+01 8.986837294e+01 1.42 8.061563622e+01 8.061563622e+01 1.44 7.230075875e+01 7.230075875e+01 1.46 6.484201811e+01 6.484201811e+01 1.48 5.816050967e+01 5.816050967e+01 1.50 5.218132472e+01 5.218132472e+01 1.52 4.683421964e+01 4.683421964e+01 1.54 4.205407272e+01 4.205407272e+01 1.56 3.778113903e+01 3.778113903e+01 1.58 3.396109777e+01 3.396109777e+01 1.60 3.054494406e+01 3.054494406e+01 1.62 2.748876969e+01 2.748876969e+01 1.64 2.475346698e+01 2.475346698e+01 1.66 2.230430869e+01 2.230430869e+01 1.68 2.011037974e+01 2.011037974e+01 1.70 1.814411238e+01 1.814411238e+01 1.72 1.638089881e+01 1.638089881e+01 1.74 1.479877720e+01 1.479877720e+01 1.76 1.337815271e+01 1.337815271e+01 1.78 1.210154769e+01 1.210154769e+01 1.80 1.095337785e+01 1.095337785e+01 1.82 9.919751627e+00 9.919751627e+00 1.84 8.988290479e+00 8.988290479e+00 1.86 8.147967896e+00 8.147967896e+00 1.88 7.388965089e+00 7.388965089e+00 1.90 6.702541801e+00 6.702541801e+00 1.92 6.080920569e+00 6.080920569e+00 1.94 5.517183078e+00 5.517183078e+00 1.96 5.005177389e+00 5.005177389e+00 1.98 4.539434857e+00 4.539434857e+00 2.00 4.115095868e+00 4.115095868e+00 2.02 3.727851273e+00 3.727851273e+00 2.04 3.373887487e+00 3.373887487e+00 2.06 3.049824100e+00 3.049824100e+00 2.08 2.752958580e+00 2.752958580e+00 2.10 2.481245920e+00 2.481245920e+00 2.12 2.232813500e+00 2.232813500e+00 2.14 2.005917546e+00 2.005917546e+00 2.16 1.798934689e+00 1.798934689e+00 2.18 1.610354083e+00 1.610354083e+00 2.20 1.438770013e+00 1.438770013e+00 2.22 1.282874972e+00 1.282874972e+00 2.24 1.141453183e+00 1.141453183e+00 2.26 1.013374526e+00 1.013374526e+00 2.28 8.975888564e-01 8.975888564e-01 2.30 7.931206837e-01 7.931206837e-01 2.32 6.990641899e-01 6.990641899e-01 2.34 6.145785683e-01 6.145785683e-01 2.36 5.388836609e-01 5.388836609e-01 2.38 4.712558736e-01 4.712558736e-01 2.40 4.110243586e-01 4.110243586e-01 2.42 3.575674397e-01 3.575674397e-01 2.44 3.103092696e-01 3.103092696e-01 2.46 2.687167056e-01 2.687167056e-01 2.48 2.322963850e-01 2.322963850e-01 2.50 2.005919931e-01 2.005919931e-01 2.52 1.731817093e-01 1.731817093e-01 2.54 1.496758185e-01 1.496758185e-01 2.56 1.297144812e-01 1.297144812e-01 2.58 1.129656487e-01 1.129656487e-01 2.60 9.912311609e-02 9.912311609e-02 2.62 8.790470413e-02 8.790470413e-02 2.64 7.905056097e-02 7.905056097e-02 2.66 7.232157725e-02 7.232157725e-02 2.68 6.749790643e-02 6.749790643e-02 2.70 6.437758413e-02 6.437758413e-02 2.72 6.277524008e-02 6.277524008e-02 2.74 6.252089639e-02 6.252089639e-02 2.76 6.345884733e-02 6.345884733e-02 2.78 6.544661457e-02 6.544661457e-02 2.80 6.835397342e-02 6.835397342e-02 2.82 7.206204581e-02 7.206204581e-02 2.84 7.646245478e-02 7.646245478e-02 2.86 8.145653745e-02 8.145653745e-02 2.88 8.695461231e-02 8.695461231e-02 2.90 9.287529672e-02 9.287529672e-02 2.92 9.914487262e-02 9.914487262e-02 2.94 1.056966960e-01 1.056966960e-01 2.96 1.124706480e-01 1.124706480e-01 2.98 1.194126247e-01 1.194126247e-01 3.00 1.264740633e-01 1.264740633e-01 3.02 1.336115015e-01 1.336115015e-01 3.04 1.407861692e-01 1.407861692e-01 3.06 1.479636091e-01 1.479636091e-01 3.08 1.551133248e-01 1.551133248e-01 3.10 1.622084553e-01 1.622084553e-01 3.12 1.692254724e-01 1.692254724e-01 3.14 1.761439013e-01 1.761439013e-01 3.16 1.829460619e-01 1.829460619e-01 3.18 1.896168291e-01 1.896168291e-01 3.20 1.961434123e-01 1.961434123e-01 3.22 2.025151511e-01 2.025151511e-01 3.24 2.087233268e-01 2.087233268e-01 3.26 2.147609894e-01 2.147609894e-01 3.28 2.206227979e-01 2.206227979e-01 3.30 2.263048738e-01 2.263048738e-01 3.32 2.318046662e-01 2.318046662e-01 3.34 2.371208292e-01 2.371208292e-01 3.36 2.422531089e-01 2.422531089e-01 3.38 2.472022411e-01 2.472022411e-01 3.40 2.519698578e-01 2.519698578e-01 3.42 2.565584031e-01 2.565584031e-01 3.44 2.609710570e-01 2.609710570e-01 3.46 2.652116675e-01 2.652116675e-01 3.48 2.692846898e-01 2.692846898e-01 3.50 2.731951333e-01 2.731951333e-01 3.52 2.769485150e-01 2.769485150e-01 3.54 2.805508206e-01 2.805508206e-01 3.56 2.840084712e-01 2.840084712e-01 3.58 2.873282974e-01 2.873282974e-01 3.60 2.905175202e-01 2.905175202e-01 3.62 2.935837385e-01 2.935837385e-01 3.64 2.965349238e-01 2.965349238e-01 3.66 2.993794227e-01 2.993794227e-01 3.68 3.021259675e-01 3.021259675e-01 3.70 3.047836962e-01 3.047836962e-01 3.72 3.073621823e-01 3.073621823e-01 3.74 3.098714764e-01 3.098714764e-01 3.76 3.123221616e-01 3.123221616e-01 3.78 3.147254251e-01 3.147254251e-01 3.80 3.170931487e-01 3.170931487e-01 3.82 3.194380238e-01 3.194380238e-01 3.84 3.217736956e-01 3.217736956e-01 3.86 3.241149450e-01 3.241149450e-01 3.88 3.264779176e-01 3.264779176e-01 3.90 3.288804159e-01 3.288804159e-01 3.92 3.313422724e-01 3.313422724e-01 3.94 3.338858333e-01 3.338858333e-01 3.96 3.365365918e-01 3.365365918e-01 3.98 3.393240303e-01 3.393240303e-01 4.00 3.422827587e-01 3.422827587e-01 4.02 3.454540839e-01 3.454540839e-01 4.04 3.488882235e-01 3.488882235e-01 4.06 3.526475125e-01 3.526475125e-01 4.08 3.568111966e-01 3.568111966e-01 4.10 3.614828739e-01 3.614828739e-01 4.12 3.668025920e-01 3.668025920e-01 4.14 3.729676712e-01 3.729676712e-01 4.16 3.802712926e-01 3.802712926e-01 4.18 3.891814079e-01 3.891814079e-01 4.20 4.005263073e-01 4.005263073e-01 4.22 4.160374056e-01 4.160374056e-01 4.24 4.407500915e-01 4.407500915e-01 4.26 5.270197246e-01 5.270197246e-01 4.28 5.251776885e-01 5.251776885e-01 4.30 5.118709214e-01 5.118709214e-01 4.32 4.919062392e-01 4.919062392e-01 4.34 4.814769091e-01 4.814769091e-01 4.36 4.740339134e-01 4.740339134e-01 4.38 4.662942175e-01 4.662942175e-01 4.40 4.583619234e-01 4.583619234e-01 4.42 4.503072449e-01 4.503072449e-01 4.44 4.421803581e-01 4.421803581e-01 4.46 4.340186407e-01 4.340186407e-01 4.48 4.258508087e-01 4.258508087e-01 4.50 4.176994453e-01 4.176994453e-01 4.52 4.095826308e-01 4.095826308e-01 4.54 4.015150408e-01 4.015150408e-01 4.56 3.935087110e-01 3.935087110e-01 4.58 3.855735888e-01 3.855735888e-01 4.60 3.777179389e-01 3.777179389e-01 4.62 3.699486505e-01 3.699486505e-01 4.64 3.622714729e-01 3.622714729e-01 4.66 3.546912011e-01 3.546912011e-01 4.68 3.472118219e-01 3.472118219e-01 4.70 3.398366331e-01 3.398366331e-01 4.72 3.325683403e-01 3.325683403e-01 4.74 3.254091365e-01 3.254091365e-01 4.76 3.183607688e-01 3.183607688e-01 4.78 3.114245949e-01 3.114245949e-01 4.80 3.046016302e-01 3.046016302e-01 4.82 2.978925890e-01 2.978925890e-01 4.84 2.912979192e-01 2.912979192e-01 4.86 2.848178329e-01 2.848178329e-01 4.88 2.784523331e-01 2.784523331e-01 4.90 2.722012366e-01 2.722012366e-01 4.92 2.651017902e-01 2.651017902e-01 4.94 2.452302126e-01 2.452302126e-01 4.96 1.856406626e-01 1.856406626e-01 4.98 7.492176839e-02 7.492176839e-02 5.00 -5.827294262e-23 -5.825896190e-23 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00