# 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 = Ag2FeZr # 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 2.912207646e+02 2.912207646e+02 1.30 2.691843415e+02 2.691843415e+02 1.32 2.488315408e+02 2.488315408e+02 1.34 2.300236163e+02 2.300236163e+02 1.36 2.126340275e+02 2.126340275e+02 1.38 1.965485276e+02 1.965485276e+02 1.40 1.816643595e+02 1.816643595e+02 1.42 1.678884809e+02 1.678884809e+02 1.44 1.551357139e+02 1.551357139e+02 1.46 1.433275562e+02 1.433275562e+02 1.48 1.323917432e+02 1.323917432e+02 1.50 1.222620456e+02 1.222620456e+02 1.52 1.128778310e+02 1.128778310e+02 1.54 1.041832721e+02 1.041832721e+02 1.56 9.612665454e+01 9.612665454e+01 1.58 8.866003464e+01 8.866003464e+01 1.60 8.173908052e+01 8.173908052e+01 1.62 7.532281488e+01 7.532281488e+01 1.64 6.937327518e+01 6.937327518e+01 1.66 6.385520258e+01 6.385520258e+01 1.68 5.873588063e+01 5.873588063e+01 1.70 5.398516280e+01 5.398516280e+01 1.72 4.957545263e+01 4.957545263e+01 1.74 4.548185010e+01 4.548185010e+01 1.76 4.168175606e+01 4.168175606e+01 1.78 3.815391074e+01 3.815391074e+01 1.80 3.487870857e+01 3.487870857e+01 1.82 3.184010298e+01 3.184010298e+01 1.84 2.902178613e+01 2.902178613e+01 1.86 2.640788992e+01 2.640788992e+01 1.88 2.398379623e+01 2.398379623e+01 1.90 2.173608748e+01 2.173608748e+01 1.92 1.965242904e+01 1.965242904e+01 1.94 1.772139490e+01 1.772139490e+01 1.96 1.593229583e+01 1.593229583e+01 1.98 1.427508286e+01 1.427508286e+01 2.00 1.274031939e+01 1.274031939e+01 2.02 1.131918285e+01 1.131918285e+01 2.04 1.000346874e+01 1.000346874e+01 2.06 8.785575419e+00 8.785575419e+00 2.08 7.658460052e+00 7.658460052e+00 2.10 6.615593256e+00 6.615593256e+00 2.12 5.650913678e+00 5.650913678e+00 2.14 4.758797628e+00 4.758797628e+00 2.16 3.934045727e+00 3.934045727e+00 2.18 3.171860977e+00 3.171860977e+00 2.20 2.467825466e+00 2.467825466e+00 2.22 1.817857492e+00 1.817857492e+00 2.24 1.218179452e+00 1.218179452e+00 2.26 6.653005719e-01 6.653005719e-01 2.28 1.560006607e-01 1.560006607e-01 2.30 -3.126552252e-01 -3.126552252e-01 2.32 -7.433494127e-01 -7.433494127e-01 2.34 -1.138516891e+00 -1.138516891e+00 2.36 -1.500389361e+00 -1.500389361e+00 2.38 -1.831028139e+00 -1.831028139e+00 2.40 -2.132358139e+00 -2.132358139e+00 2.42 -2.406201728e+00 -2.406201728e+00 2.44 -2.654310580e+00 -2.654310580e+00 2.46 -2.878428542e+00 -2.878428542e+00 2.48 -3.080108487e+00 -3.080108487e+00 2.50 -3.260842852e+00 -3.260842852e+00 2.52 -3.422086352e+00 -3.422086352e+00 2.54 -3.565248414e+00 -3.565248414e+00 2.56 -3.691687654e+00 -3.691687654e+00 2.58 -3.802706560e+00 -3.802706560e+00 2.60 -3.899443587e+00 -3.899443587e+00 2.62 -3.982829795e+00 -3.982829795e+00 2.64 -4.053770795e+00 -4.053770795e+00 2.66 -4.113135961e+00 -4.113135961e+00 2.68 -4.161751556e+00 -4.161751556e+00 2.70 -4.200388127e+00 -4.200388127e+00 2.72 -4.229757823e+00 -4.229757823e+00 2.74 -4.250518631e+00 -4.250518631e+00 2.76 -4.263282781e+00 -4.263282781e+00 2.78 -4.268623938e+00 -4.268623938e+00 2.80 -4.267094486e+00 -4.267094486e+00 2.82 -4.259217028e+00 -4.259217028e+00 2.84 -4.245501872e+00 -4.245501872e+00 2.86 -4.226438570e+00 -4.226438570e+00 2.88 -4.202499123e+00 -4.202499123e+00 2.90 -4.174139330e+00 -4.174139330e+00 2.92 -4.141795920e+00 -4.141795920e+00 2.94 -4.105883497e+00 -4.105883497e+00 2.96 -4.066792141e+00 -4.066792141e+00 2.98 -4.024886196e+00 -4.024886196e+00 3.00 -3.980503853e+00 -3.980503853e+00 3.02 -3.933917132e+00 -3.933917132e+00 3.04 -3.885331200e+00 -3.885331200e+00 3.06 -3.835109761e+00 -3.835109761e+00 3.08 -3.783307124e+00 -3.783307124e+00 3.10 -3.729916403e+00 -3.729916403e+00 3.12 -3.674954169e+00 -3.674954169e+00 3.14 -3.618464340e+00 -3.618464340e+00 3.16 -3.560502885e+00 -3.560502885e+00 3.18 -3.501146160e+00 -3.501146160e+00 3.20 -3.440489163e+00 -3.440489163e+00 3.22 -3.378654626e+00 -3.378654626e+00 3.24 -3.315799631e+00 -3.315799631e+00 3.26 -3.252102422e+00 -3.252102422e+00 3.28 -3.187760947e+00 -3.187760947e+00 3.30 -3.122990167e+00 -3.122990167e+00 3.32 -3.058015887e+00 -3.058015887e+00 3.34 -2.993065484e+00 -2.993065484e+00 3.36 -2.928356970e+00 -2.928356970e+00 3.38 -2.864088475e+00 -2.864088475e+00 3.40 -2.800429060e+00 -2.800429060e+00 3.42 -2.737519171e+00 -2.737519171e+00 3.44 -2.675462402e+00 -2.675462402e+00 3.46 -2.614333468e+00 -2.614333468e+00 3.48 -2.554181078e+00 -2.554181078e+00 3.50 -2.495032951e+00 -2.495032951e+00 3.52 -2.436900636e+00 -2.436900636e+00 3.54 -2.379783629e+00 -2.379783629e+00 3.56 -2.323672617e+00 -2.323672617e+00 3.58 -2.268551884e+00 -2.268551884e+00 3.60 -2.214401034e+00 -2.214401034e+00 3.62 -2.161196199e+00 -2.161196199e+00 3.64 -2.108910958e+00 -2.108910958e+00 3.66 -2.057517125e+00 -2.057517125e+00 3.68 -2.006985571e+00 -2.006985571e+00 3.70 -1.957287209e+00 -1.957287209e+00 3.72 -1.908394205e+00 -1.908394205e+00 3.74 -1.860281462e+00 -1.860281462e+00 3.76 -1.812928298e+00 -1.812928298e+00 3.78 -1.766320183e+00 -1.766320183e+00 3.80 -1.720450289e+00 -1.720450289e+00 3.82 -1.675320534e+00 -1.675320534e+00 3.84 -1.630941808e+00 -1.630941808e+00 3.86 -1.587333102e+00 -1.587333102e+00 3.88 -1.544519499e+00 -1.544519499e+00 3.90 -1.502529182e+00 -1.502529182e+00 3.92 -1.461388354e+00 -1.461388354e+00 3.94 -1.421124315e+00 -1.421124315e+00 3.96 -1.381752291e+00 -1.381752291e+00 3.98 -1.343280985e+00 -1.343280985e+00 4.00 -1.305710124e+00 -1.305710124e+00 4.02 -1.269031055e+00 -1.269031055e+00 4.04 -1.233228156e+00 -1.233228156e+00 4.06 -1.198280676e+00 -1.198280676e+00 4.08 -1.164164664e+00 -1.164164664e+00 4.10 -1.130850707e+00 -1.130850707e+00 4.12 -1.098322393e+00 -1.098322393e+00 4.14 -1.066550756e+00 -1.066550756e+00 4.16 -1.035514022e+00 -1.035514022e+00 4.18 -1.005193255e+00 -1.005193255e+00 4.20 -9.755728088e-01 -9.755728088e-01 4.22 -9.466405814e-01 -9.466405814e-01 4.24 -9.183880925e-01 -9.183880925e-01 4.26 -8.908103530e-01 -8.908103530e-01 4.28 -8.639055155e-01 -8.639055155e-01 4.30 -8.376742927e-01 -8.376742927e-01 4.32 -8.121191555e-01 -8.121191555e-01 4.34 -7.872433510e-01 -7.872433510e-01 4.36 -7.630498165e-01 -7.630498165e-01 4.38 -7.395400852e-01 -7.395400852e-01 4.40 -7.167132936e-01 -7.167132936e-01 4.42 -6.945653892e-01 -6.945653892e-01 4.44 -6.730886094e-01 -6.730886094e-01 4.46 -6.522712657e-01 -6.522712657e-01 4.48 -6.320978226e-01 -6.320978226e-01 4.50 -6.125492291e-01 -6.125492291e-01 4.52 -5.936034323e-01 -5.936034323e-01 4.54 -5.752360011e-01 -5.752360011e-01 4.56 -5.574207862e-01 -5.574207862e-01 4.58 -5.401305632e-01 -5.401305632e-01 4.60 -5.233376177e-01 -5.233376177e-01 4.62 -5.070142556e-01 -5.070142556e-01 4.64 -4.911332338e-01 -4.911332338e-01 4.66 -4.756681191e-01 -4.756681191e-01 4.68 -4.605935916e-01 -4.605935916e-01 4.70 -4.458857085e-01 -4.458857085e-01 4.72 -4.315221488e-01 -4.315221488e-01 4.74 -4.174824496e-01 -4.174824496e-01 4.76 -4.037482486e-01 -4.037482486e-01 4.78 -3.903035320e-01 -3.903035320e-01 4.80 -3.771317566e-01 -3.771317566e-01 4.82 -3.642291537e-01 -3.642291537e-01 4.84 -3.515844746e-01 -3.515844746e-01 4.86 -3.391934838e-01 -3.391934838e-01 4.88 -3.270552758e-01 -3.270552758e-01 4.90 -3.151722548e-01 -3.151722548e-01 4.92 -3.035499732e-01 -3.035499732e-01 4.94 -2.921968050e-01 -2.921968050e-01 4.96 -2.811234460e-01 -2.811234460e-01 4.98 -2.703422481e-01 -2.703422481e-01 5.00 -2.598664149e-01 -2.598664149e-01 5.02 -2.497091069e-01 -2.497091069e-01 5.04 -2.398825193e-01 -2.398825193e-01 5.06 -2.303970039e-01 -2.303970039e-01 5.08 -2.212603072e-01 -2.212603072e-01 5.10 -2.124769843e-01 -2.124769843e-01 5.12 -2.040480310e-01 -2.040480310e-01 5.14 -1.959707547e-01 -1.959707547e-01 5.16 -1.882388771e-01 -1.882388771e-01 5.18 -1.808428431e-01 -1.808428431e-01 5.20 -1.737702100e-01 -1.737702100e-01 5.22 -1.670062750e-01 -1.670062750e-01 5.24 -1.605350448e-01 -1.605350448e-01 5.26 -1.543395891e-01 -1.543395891e-01 5.28 -1.484026938e-01 -1.484026938e-01 5.30 -1.427074746e-01 -1.427074746e-01 5.32 -1.372379107e-01 -1.372379107e-01 5.34 -1.319792834e-01 -1.319792834e-01 5.36 -1.269185094e-01 -1.269185094e-01 5.38 -1.220443613e-01 -1.220443613e-01 5.40 -1.173475718e-01 -1.173475718e-01 5.42 -1.128208203e-01 -1.128208203e-01 5.44 -1.084586076e-01 -1.084586076e-01 5.46 -1.042570268e-01 -1.042570268e-01 5.48 -1.002134501e-01 -1.002134501e-01 5.50 -9.632615236e-02 -9.632615236e-02 5.52 -9.259390626e-02 -9.259390626e-02 5.54 -8.901558065e-02 -8.901558065e-02 5.56 -8.558977497e-02 -8.558977497e-02 5.58 -8.231451790e-02 -8.231451790e-02 5.60 -7.918700384e-02 -7.918700384e-02 5.62 -7.620329229e-02 -7.620329229e-02 5.64 -7.335890353e-02 -7.335890353e-02 5.66 -7.064847355e-02 -7.064847355e-02 5.68 -6.806578687e-02 -6.806578687e-02 5.70 -6.560394453e-02 -6.560394453e-02 5.72 -6.325555095e-02 -6.325555095e-02 5.74 -6.101290101e-02 -6.101290101e-02 5.76 -5.886815339e-02 -5.886815339e-02 5.78 -5.681348091e-02 -5.681348091e-02 5.80 -5.484119347e-02 -5.484119347e-02 5.82 -5.294383233e-02 -5.294383233e-02 5.84 -5.111423794e-02 -5.111423794e-02 5.86 -4.934559478e-02 -4.934559478e-02 5.88 -4.763145780e-02 -4.763145780e-02 5.90 -4.596576543e-02 -4.596576543e-02 5.92 -4.434284385e-02 -4.434284385e-02 5.94 -4.275740689e-02 -4.275740689e-02 5.96 -4.120455534e-02 -4.120455534e-02 5.98 -3.967977879e-02 -3.967977879e-02 6.00 -3.817896245e-02 -3.817896245e-02