# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Mn # implementation = 2025--Sharifi-H--Cr-Ni-Mn--LAMMPS--ipr1 # composition = Cr2MnNi # 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 2025-07-01 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 3.646461536e+02 3.646461536e+02 1.00 3.382228936e+02 3.382228936e+02 1.02 3.137732727e+02 3.137732727e+02 1.04 2.925072369e+02 2.925072369e+02 1.06 2.743064269e+02 2.743064269e+02 1.08 2.584069843e+02 2.584069843e+02 1.10 2.442183676e+02 2.442183676e+02 1.12 2.312920586e+02 2.312920586e+02 1.14 2.192949135e+02 2.192949135e+02 1.16 2.079857198e+02 2.079857198e+02 1.18 1.973399047e+02 1.973399047e+02 1.20 1.873284282e+02 1.873284282e+02 1.22 1.777529167e+02 1.777529167e+02 1.24 1.684844671e+02 1.684844671e+02 1.26 1.594465126e+02 1.594465126e+02 1.28 1.506002768e+02 1.506002768e+02 1.30 1.419333426e+02 1.419333426e+02 1.32 1.334507917e+02 1.334507917e+02 1.34 1.251684618e+02 1.251684618e+02 1.36 1.171079191e+02 1.171079191e+02 1.38 1.092927892e+02 1.092927892e+02 1.40 1.017461830e+02 1.017461830e+02 1.42 9.448897453e+01 9.448897453e+01 1.44 8.753873546e+01 8.753873546e+01 1.46 8.090915665e+01 8.090915665e+01 1.48 7.460983482e+01 7.460983482e+01 1.50 6.864632189e+01 6.864632189e+01 1.52 6.302035192e+01 6.302035192e+01 1.54 5.773018440e+01 5.773018440e+01 1.56 5.277100680e+01 5.277100680e+01 1.58 4.813538096e+01 4.813538096e+01 1.60 4.381369743e+01 4.381369743e+01 1.62 3.979460645e+01 3.979460645e+01 1.64 3.606542088e+01 3.606542088e+01 1.66 3.261248296e+01 3.261248296e+01 1.68 2.942149544e+01 2.942149544e+01 1.70 2.647780952e+01 2.647780952e+01 1.72 2.376667060e+01 2.376667060e+01 1.74 2.127342354e+01 2.127342354e+01 1.76 1.898368337e+01 1.898368337e+01 1.78 1.688348484e+01 1.688348484e+01 1.80 1.495938433e+01 1.495938433e+01 1.82 1.319851934e+01 1.319851934e+01 1.84 1.158866110e+01 1.158866110e+01 1.86 1.011825293e+01 1.011825293e+01 1.88 8.776431822e+00 8.776431822e+00 1.90 7.553037511e+00 7.553037511e+00 1.92 6.438608234e+00 6.438608234e+00 1.94 5.424365413e+00 5.424365413e+00 1.96 4.502193493e+00 4.502193493e+00 1.98 3.664614136e+00 3.664614136e+00 2.00 2.904743078e+00 2.904743078e+00 2.02 2.216224809e+00 2.216224809e+00 2.04 1.593192139e+00 1.593192139e+00 2.06 1.030235074e+00 1.030235074e+00 2.08 5.223685039e-01 5.223685039e-01 2.10 6.499997453e-02 6.499997453e-02 2.12 -3.461002532e-01 -3.461002532e-01 2.14 -7.148269648e-01 -7.148269648e-01 2.16 -1.044765746e+00 -1.044765746e+00 2.18 -1.339217203e+00 -1.339217203e+00 2.20 -1.601220542e+00 -1.601220542e+00 2.22 -1.833571807e+00 -1.833571807e+00 2.24 -2.038842065e+00 -2.038842065e+00 2.26 -2.219394925e+00 -2.219394925e+00 2.28 -2.377402717e+00 -2.377402717e+00 2.30 -2.514861431e+00 -2.514861431e+00 2.32 -2.633604555e+00 -2.633604555e+00 2.34 -2.735315821e+00 -2.735315821e+00 2.36 -2.821541000e+00 -2.821541000e+00 2.38 -2.893704586e+00 -2.893704586e+00 2.40 -2.953307138e+00 -2.953307138e+00 2.42 -3.001925876e+00 -3.001925876e+00 2.44 -3.040962510e+00 -3.040962510e+00 2.46 -3.071647564e+00 -3.071647564e+00 2.48 -3.095059616e+00 -3.095059616e+00 2.50 -3.112142532e+00 -3.112142532e+00 2.52 -3.123720897e+00 -3.123720897e+00 2.54 -3.130513836e+00 -3.130513836e+00 2.56 -3.133139817e+00 -3.133139817e+00 2.58 -3.132095761e+00 -3.132095761e+00 2.60 -3.127801353e+00 -3.127801353e+00 2.62 -3.120622908e+00 -3.120622908e+00 2.64 -3.110879918e+00 -3.110879918e+00 2.66 -3.098850809e+00 -3.098850809e+00 2.68 -3.084778024e+00 -3.084778024e+00 2.70 -3.068872486e+00 -3.068872486e+00 2.72 -3.051317551e+00 -3.051317551e+00 2.74 -3.032272476e+00 -3.032272476e+00 2.76 -3.011875519e+00 -3.011875519e+00 2.78 -2.990246690e+00 -2.990246690e+00 2.80 -2.967490235e+00 -2.967490235e+00 2.82 -2.943696884e+00 -2.943696884e+00 2.84 -2.918945882e+00 -2.918945882e+00 2.86 -2.893306837e+00 -2.893306837e+00 2.88 -2.866841368e+00 -2.866841368e+00 2.90 -2.839604565e+00 -2.839604565e+00 2.92 -2.811646246e+00 -2.811646246e+00 2.94 -2.783012016e+00 -2.783012016e+00 2.96 -2.753744144e+00 -2.753744144e+00 2.98 -2.723882248e+00 -2.723882248e+00 3.00 -2.693463838e+00 -2.693463838e+00 3.02 -2.662522051e+00 -2.662522051e+00 3.04 -2.631060540e+00 -2.631060540e+00 3.06 -2.599107566e+00 -2.599107566e+00 3.08 -2.566815249e+00 -2.566815249e+00 3.10 -2.534134452e+00 -2.534134452e+00 3.12 -2.501094306e+00 -2.501094306e+00 3.14 -2.467724839e+00 -2.467724839e+00 3.16 -2.434055504e+00 -2.434055504e+00 3.18 -2.400115247e+00 -2.400115247e+00 3.20 -2.365932561e+00 -2.365932561e+00 3.22 -2.331535523e+00 -2.331535523e+00 3.24 -2.296951828e+00 -2.296951828e+00 3.26 -2.262208800e+00 -2.262208800e+00 3.28 -2.227333403e+00 -2.227333403e+00 3.30 -2.192352235e+00 -2.192352235e+00 3.32 -2.157291521e+00 -2.157291521e+00 3.34 -2.122177098e+00 -2.122177098e+00 3.36 -2.087034394e+00 -2.087034394e+00 3.38 -2.051888407e+00 -2.051888407e+00 3.40 -2.016763678e+00 -2.016763678e+00 3.42 -1.981684268e+00 -1.981684268e+00 3.44 -1.946673728e+00 -1.946673728e+00 3.46 -1.911755075e+00 -1.911755075e+00 3.48 -1.876950761e+00 -1.876950761e+00 3.50 -1.842282651e+00 -1.842282651e+00 3.52 -1.807771995e+00 -1.807771995e+00 3.54 -1.773439407e+00 -1.773439407e+00 3.56 -1.739304837e+00 -1.739304837e+00 3.58 -1.705387556e+00 -1.705387556e+00 3.60 -1.671706132e+00 -1.671706132e+00 3.62 -1.638278415e+00 -1.638278415e+00 3.64 -1.605121519e+00 -1.605121519e+00 3.66 -1.572251809e+00 -1.572251809e+00 3.68 -1.539684887e+00 -1.539684887e+00 3.70 -1.507435582e+00 -1.507435582e+00 3.72 -1.475517942e+00 -1.475517942e+00 3.74 -1.443945228e+00 -1.443945228e+00 3.76 -1.412729903e+00 -1.412729903e+00 3.78 -1.381883638e+00 -1.381883638e+00 3.80 -1.351417302e+00 -1.351417302e+00 3.82 -1.321340969e+00 -1.321340969e+00 3.84 -1.291663916e+00 -1.291663916e+00 3.86 -1.262394632e+00 -1.262394632e+00 3.88 -1.233540820e+00 -1.233540820e+00 3.90 -1.205109409e+00 -1.205109409e+00 3.92 -1.177106564e+00 -1.177106564e+00 3.94 -1.149537695e+00 -1.149537695e+00 3.96 -1.122407477e+00 -1.122407477e+00 3.98 -1.095719861e+00 -1.095719861e+00 4.00 -1.069478095e+00 -1.069478095e+00 4.02 -1.043684742e+00 -1.043684742e+00 4.04 -1.018341705e+00 -1.018341705e+00 4.06 -9.934502450e-01 -9.934502450e-01 4.08 -9.690110075e-01 -9.690110075e-01 4.10 -9.450240490e-01 -9.450240490e-01 4.12 -9.214888622e-01 -9.214888622e-01 4.14 -8.984044043e-01 -8.984044043e-01 4.16 -8.757691247e-01 -8.757691247e-01 4.18 -8.535809943e-01 -8.535809943e-01 4.20 -8.318375345e-01 -8.318375345e-01 4.22 -8.105358463e-01 -8.105358463e-01 4.24 -7.896726399e-01 -7.896726399e-01 4.26 -7.692099140e-01 -7.692099140e-01 4.28 -7.484624182e-01 -7.484624182e-01 4.30 -7.256568678e-01 -7.256568678e-01 4.32 -7.005525625e-01 -7.005525625e-01 4.34 -6.804262287e-01 -6.804262287e-01 4.36 -6.625073311e-01 -6.625073311e-01 4.38 -6.449817214e-01 -6.449817214e-01 4.40 -6.278443634e-01 -6.278443634e-01 4.42 -6.110900649e-01 -6.110900649e-01 4.44 -5.947134983e-01 -5.947134983e-01 4.46 -5.787092193e-01 -5.787092193e-01 4.48 -5.630716845e-01 -5.630716845e-01 4.50 -5.477952681e-01 -5.477952681e-01 4.52 -5.328742774e-01 -5.328742774e-01 4.54 -5.183029666e-01 -5.183029666e-01 4.56 -5.040755499e-01 -5.040755499e-01 4.58 -4.901862133e-01 -4.901862133e-01 4.60 -4.766291260e-01 -4.766291260e-01 4.62 -4.633984494e-01 -4.633984494e-01 4.64 -4.504883467e-01 -4.504883467e-01 4.66 -4.378929910e-01 -4.378929910e-01 4.68 -4.256065723e-01 -4.256065723e-01 4.70 -4.136233040e-01 -4.136233040e-01 4.72 -4.019374293e-01 -4.019374293e-01 4.74 -3.905432259e-01 -3.905432259e-01 4.76 -3.794350109e-01 -3.794350109e-01 4.78 -3.686071450e-01 -3.686071450e-01 4.80 -3.580540361e-01 -3.580540361e-01 4.82 -3.477701425e-01 -3.477701425e-01 4.84 -3.377499763e-01 -3.377499763e-01 4.86 -3.279881050e-01 -3.279881050e-01 4.88 -3.184791546e-01 -3.184791546e-01 4.90 -3.092178113e-01 -3.092178113e-01 4.92 -2.992467791e-01 -2.992467791e-01 4.94 -2.768021973e-01 -2.768021973e-01 4.96 -2.147652118e-01 -2.147652118e-01 4.98 -9.647281969e-02 -9.647281969e-02 5.00 -6.879675830e-24 -6.876049399e-24 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