# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn # implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--LAMMPS--ipr1 # composition = Cu2MnNi # 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 2024-01-04 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 7.038963601e+02 7.038963601e+02 1.00 6.510405672e+02 6.510405672e+02 1.02 6.026121518e+02 6.026121518e+02 1.04 5.581585276e+02 5.581585276e+02 1.06 5.172551475e+02 5.172551475e+02 1.08 4.795413170e+02 4.795413170e+02 1.10 4.446991041e+02 4.446991041e+02 1.12 4.124309942e+02 4.124309942e+02 1.14 3.824510955e+02 3.824510955e+02 1.16 3.545107745e+02 3.545107745e+02 1.18 3.284356523e+02 3.284356523e+02 1.20 3.040774475e+02 3.040774475e+02 1.22 2.813184813e+02 2.813184813e+02 1.24 2.600852519e+02 2.600852519e+02 1.26 2.402775596e+02 2.402775596e+02 1.28 2.217784956e+02 2.217784956e+02 1.30 2.044726584e+02 2.044726584e+02 1.32 1.882405849e+02 1.882405849e+02 1.34 1.729967211e+02 1.729967211e+02 1.36 1.586959108e+02 1.586959108e+02 1.38 1.453047867e+02 1.453047867e+02 1.40 1.327973827e+02 1.327973827e+02 1.42 1.211481751e+02 1.211481751e+02 1.44 1.103153410e+02 1.103153410e+02 1.46 1.002494843e+02 1.002494843e+02 1.48 9.090410019e+01 9.090410019e+01 1.50 8.224541205e+01 8.224541205e+01 1.52 7.424382837e+01 7.424382837e+01 1.54 6.687078026e+01 6.687078026e+01 1.56 6.009935061e+01 6.009935061e+01 1.58 5.376094025e+01 5.376094025e+01 1.60 4.797002483e+01 4.797002483e+01 1.62 4.269338450e+01 4.269338450e+01 1.64 3.789379352e+01 3.789379352e+01 1.66 3.353204606e+01 3.353204606e+01 1.68 2.957224565e+01 2.957224565e+01 1.70 2.598033494e+01 2.598033494e+01 1.72 2.272685345e+01 2.272685345e+01 1.74 1.978675101e+01 1.978675101e+01 1.76 1.713735893e+01 1.713735893e+01 1.78 1.475919013e+01 1.475919013e+01 1.80 1.263242476e+01 1.263242476e+01 1.82 1.073703604e+01 1.073703604e+01 1.84 9.052186340e+00 9.052186340e+00 1.86 7.555710247e+00 7.555710247e+00 1.88 6.225166360e+00 6.225166360e+00 1.90 5.038371060e+00 5.038371060e+00 1.92 3.975612129e+00 3.975612129e+00 1.94 3.023722313e+00 3.023722313e+00 1.96 2.171914375e+00 2.171914375e+00 1.98 1.409966953e+00 1.409966953e+00 2.00 7.270996723e-01 7.270996723e-01 2.02 1.138385540e-01 1.138385540e-01 2.04 -4.356267563e-01 -4.356267563e-01 2.06 -9.255564031e-01 -9.255564031e-01 2.08 -1.359713013e+00 -1.359713013e+00 2.10 -1.741852221e+00 -1.741852221e+00 2.12 -2.075734181e+00 -2.075734181e+00 2.14 -2.364473724e+00 -2.364473724e+00 2.16 -2.610694045e+00 -2.610694045e+00 2.18 -2.816833204e+00 -2.816833204e+00 2.20 -2.985352885e+00 -2.985352885e+00 2.22 -3.119320167e+00 -3.119320167e+00 2.24 -3.222312660e+00 -3.222312660e+00 2.26 -3.299035854e+00 -3.299035854e+00 2.28 -3.354516141e+00 -3.354516141e+00 2.30 -3.393822031e+00 -3.393822031e+00 2.32 -3.421637795e+00 -3.421637795e+00 2.34 -3.440734730e+00 -3.440734730e+00 2.36 -3.452545864e+00 -3.452545864e+00 2.38 -3.457872702e+00 -3.457872702e+00 2.40 -3.457394953e+00 -3.457394953e+00 2.42 -3.451725516e+00 -3.451725516e+00 2.44 -3.441431294e+00 -3.441431294e+00 2.46 -3.427046978e+00 -3.427046978e+00 2.48 -3.409385292e+00 -3.409385292e+00 2.50 -3.389975931e+00 -3.389975931e+00 2.52 -3.370808672e+00 -3.370808672e+00 2.54 -3.353162526e+00 -3.353162526e+00 2.56 -3.337439596e+00 -3.337439596e+00 2.58 -3.322678649e+00 -3.322678649e+00 2.60 -3.307785390e+00 -3.307785390e+00 2.62 -3.291678564e+00 -3.291678564e+00 2.64 -3.273301688e+00 -3.273301688e+00 2.66 -3.251570369e+00 -3.251570369e+00 2.68 -3.225258875e+00 -3.225258875e+00 2.70 -3.193159889e+00 -3.193159889e+00 2.72 -3.154108401e+00 -3.154108401e+00 2.74 -3.107018598e+00 -3.107018598e+00 2.76 -3.051678220e+00 -3.051678220e+00 2.78 -2.989326474e+00 -2.989326474e+00 2.80 -2.921349505e+00 -2.921349505e+00 2.82 -2.849135114e+00 -2.849135114e+00 2.84 -2.774069475e+00 -2.774069475e+00 2.86 -2.697534244e+00 -2.697534244e+00 2.88 -2.620904332e+00 -2.620904332e+00 2.90 -2.545541126e+00 -2.545541126e+00 2.92 -2.472789751e+00 -2.472789751e+00 2.94 -2.403955124e+00 -2.403955124e+00 2.96 -2.339517338e+00 -2.339517338e+00 2.98 -2.279154097e+00 -2.279154097e+00 3.00 -2.222572964e+00 -2.222572964e+00 3.02 -2.169338367e+00 -2.169338367e+00 3.04 -2.118998797e+00 -2.118998797e+00 3.06 -2.071096772e+00 -2.071096772e+00 3.08 -2.025167750e+00 -2.025167750e+00 3.10 -1.980738529e+00 -1.980738529e+00 3.12 -1.937326156e+00 -1.937326156e+00 3.14 -1.894439457e+00 -1.894439457e+00 3.16 -1.851710507e+00 -1.851710507e+00 3.18 -1.809022583e+00 -1.809022583e+00 3.20 -1.766294241e+00 -1.766294241e+00 3.22 -1.723456354e+00 -1.723456354e+00 3.24 -1.680455536e+00 -1.680455536e+00 3.26 -1.637254448e+00 -1.637254448e+00 3.28 -1.593849041e+00 -1.593849041e+00 3.30 -1.550293992e+00 -1.550293992e+00 3.32 -1.506653854e+00 -1.506653854e+00 3.34 -1.462995069e+00 -1.462995069e+00 3.36 -1.419383349e+00 -1.419383349e+00 3.38 -1.375881227e+00 -1.375881227e+00 3.40 -1.332546984e+00 -1.332546984e+00 3.42 -1.289437004e+00 -1.289437004e+00 3.44 -1.246606621e+00 -1.246606621e+00 3.46 -1.204109577e+00 -1.204109577e+00 3.48 -1.161998825e+00 -1.161998825e+00 3.50 -1.120335636e+00 -1.120335636e+00 3.52 -1.079183607e+00 -1.079183607e+00 3.54 -1.038603497e+00 -1.038603497e+00 3.56 -9.986528266e-01 -9.986528266e-01 3.58 -9.593857196e-01 -9.593857196e-01 3.60 -9.208570126e-01 -9.208570126e-01 3.62 -8.831238802e-01 -8.831238802e-01 3.64 -8.462407628e-01 -8.462407628e-01 3.66 -8.102579986e-01 -8.102579986e-01 3.68 -7.752217339e-01 -7.752217339e-01 3.70 -7.411739402e-01 -7.411739402e-01 3.72 -7.081524791e-01 -7.081524791e-01 3.74 -6.761911812e-01 -6.761911812e-01 3.76 -6.453199870e-01 -6.453199870e-01 3.78 -6.155651125e-01 -6.155651125e-01 3.80 -5.869492072e-01 -5.869492072e-01 3.82 -5.594915044e-01 -5.594915044e-01 3.84 -5.332080691e-01 -5.332080691e-01 3.86 -5.081120248e-01 -5.081120248e-01 3.88 -4.842137871e-01 -4.842137871e-01 3.90 -4.615170878e-01 -4.615170878e-01 3.92 -4.399823305e-01 -4.399823305e-01 3.94 -4.195446248e-01 -4.195446248e-01 3.96 -4.001370167e-01 -4.001370167e-01 3.98 -3.816910141e-01 -3.816910141e-01 4.00 -3.641368081e-01 -3.641368081e-01 4.02 -3.474088128e-01 -3.474088128e-01 4.04 -3.314624114e-01 -3.314624114e-01 4.06 -3.162586982e-01 -3.162586982e-01 4.08 -3.017592548e-01 -3.017592548e-01 4.10 -2.879264173e-01 -2.879264173e-01 4.12 -2.747231954e-01 -2.747231954e-01 4.14 -2.621137432e-01 -2.621137432e-01 4.16 -2.500499111e-01 -2.500499111e-01 4.18 -2.384444874e-01 -2.384444874e-01 4.20 -2.272517841e-01 -2.272517841e-01 4.22 -2.164375262e-01 -2.164375262e-01 4.24 -2.059920247e-01 -2.059920247e-01 4.26 -1.959129726e-01 -1.959129726e-01 4.28 -1.862001156e-01 -1.862001156e-01 4.30 -1.768545849e-01 -1.768545849e-01 4.32 -1.678776215e-01 -1.678776215e-01 4.34 -1.592704884e-01 -1.592704884e-01 4.36 -1.510349670e-01 -1.510349670e-01 4.38 -1.431721479e-01 -1.431721479e-01 4.40 -1.356794173e-01 -1.356794173e-01 4.42 -1.285537990e-01 -1.285537990e-01 4.44 -1.217907064e-01 -1.217907064e-01 4.46 -1.153824530e-01 -1.153824530e-01 4.48 -1.093172062e-01 -1.093172062e-01 4.50 -1.035771114e-01 -1.035771114e-01 4.52 -9.814519909e-02 -9.814519909e-02 4.54 -9.300245225e-02 -9.300245225e-02 4.56 -8.813552023e-02 -8.813552023e-02 4.58 -8.353231382e-02 -8.353231382e-02 4.60 -7.916443730e-02 -7.916443730e-02 4.62 -7.502364486e-02 -7.502364486e-02 4.64 -7.111533849e-02 -7.111533849e-02 4.66 -6.744488555e-02 -6.744488555e-02 4.68 -6.401773550e-02 -6.401773550e-02 4.70 -6.083941775e-02 -6.083941775e-02 4.72 -5.791576191e-02 -5.791576191e-02 4.74 -5.527218477e-02 -5.527218477e-02 4.76 -5.289240876e-02 -5.289240876e-02 4.78 -5.074049717e-02 -5.074049717e-02 4.80 -4.876159829e-02 -4.876159829e-02 4.82 -4.679319627e-02 -4.679319627e-02 4.84 -4.479385307e-02 -4.479385307e-02 4.86 -4.274668227e-02 -4.274668227e-02 4.88 -4.063910622e-02 -4.063910622e-02 4.90 -3.846135344e-02 -3.846135344e-02 4.92 -3.619750086e-02 -3.619750086e-02 4.94 -3.385124384e-02 -3.385124384e-02 4.96 -3.146839646e-02 -3.146839646e-02 4.98 -2.909195701e-02 -2.909195701e-02 5.00 -2.676132113e-02 -2.676132113e-02 5.02 -2.451224406e-02 -2.451224406e-02 5.04 -2.237647725e-02 -2.237647725e-02 5.06 -2.038115833e-02 -2.038115833e-02 5.08 -1.854807907e-02 -1.854807907e-02 5.10 -1.689298885e-02 -1.689298885e-02 5.12 -1.542509630e-02 -1.542509630e-02 5.14 -1.414690256e-02 -1.414690256e-02 5.16 -1.305443981e-02 -1.305443981e-02 5.18 -1.213791226e-02 -1.213791226e-02 5.20 -1.138315951e-02 -1.138315951e-02 5.22 -1.077493558e-02 -1.077493558e-02 5.24 -1.029642608e-02 -1.029642608e-02 5.26 -9.929611712e-03 -9.929611712e-03 5.28 -9.656339657e-03 -9.656339657e-03 5.30 -9.459197627e-03 -9.459197627e-03 5.32 -9.322165052e-03 -9.322165052e-03 5.34 -9.231043072e-03 -9.231043072e-03 5.36 -9.173684552e-03 -9.173684552e-03 5.38 -9.140057461e-03 -9.140057461e-03 5.40 -9.122180656e-03 -9.122180656e-03 5.42 -9.113971219e-03 -9.113971219e-03 5.44 -9.111038683e-03 -9.111038683e-03 5.46 -9.110455130e-03 -9.110455130e-03 5.48 -9.110522894e-03 -9.110522894e-03 5.50 -9.110554464e-03 -9.110554464e-03 5.52 -9.110554138e-03 -9.110554138e-03 5.54 -9.110554138e-03 -9.110554138e-03 5.56 -9.110554138e-03 -9.110554138e-03 5.58 -9.110554138e-03 -9.110554138e-03 5.60 -9.110554138e-03 -9.110554138e-03 5.62 -9.110554138e-03 -9.110554138e-03 5.64 -9.110554138e-03 -9.110554138e-03 5.66 -9.110554138e-03 -9.110554138e-03 5.68 -9.110554138e-03 -9.110554138e-03 5.70 -9.110554138e-03 -9.110554138e-03 5.72 -9.110554138e-03 -9.110554138e-03 5.74 -9.110554138e-03 -9.110554138e-03 5.76 -9.110554138e-03 -9.110554138e-03 5.78 -9.110554138e-03 -9.110554138e-03 5.80 -9.110554138e-03 -9.110554138e-03 5.82 -9.110554138e-03 -9.110554138e-03 5.84 -9.110554138e-03 -9.110554138e-03 5.86 -9.110554138e-03 -9.110554138e-03 5.88 -9.110554138e-03 -9.110554138e-03 5.90 -9.110554138e-03 -9.110554138e-03 5.92 -9.110554138e-03 -9.110554138e-03 5.94 -9.110554138e-03 -9.110554138e-03 5.96 -9.110554138e-03 -9.110554138e-03 5.98 -9.110554138e-03 -9.110554138e-03 6.00 -9.110554138e-03 -9.110554138e-03