# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = Al2FeMn # 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 2.171656952e+02 2.171656952e+02 1.10 2.010486108e+02 2.010486108e+02 1.12 1.857901556e+02 1.857901556e+02 1.14 1.716105768e+02 1.716105768e+02 1.16 1.587979267e+02 1.587979267e+02 1.18 1.468759025e+02 1.468759025e+02 1.20 1.364159786e+02 1.364159786e+02 1.22 1.262109120e+02 1.262109120e+02 1.24 1.166354784e+02 1.166354784e+02 1.26 1.080412184e+02 1.080412571e+02 1.28 1.000103778e+02 1.000103778e+02 1.30 9.260362422e+01 9.260362422e+01 1.32 8.553657719e+01 8.553657719e+01 1.34 7.938933311e+01 7.938933311e+01 1.36 7.328470951e+01 7.328470951e+01 1.38 6.766211200e+01 6.766211200e+01 1.40 6.241467127e+01 6.241467127e+01 1.42 5.754806300e+01 5.754806300e+01 1.44 5.339208409e+01 5.339208409e+01 1.46 4.945790433e+01 4.945790433e+01 1.48 4.550451104e+01 4.550451104e+01 1.50 4.183491562e+01 4.183491562e+01 1.52 3.857035777e+01 3.857035777e+01 1.54 3.564340263e+01 3.564340263e+01 1.56 3.266781136e+01 3.266781136e+01 1.58 2.995278361e+01 2.995278361e+01 1.60 2.738181007e+01 2.738181007e+01 1.62 2.499379901e+01 2.499379901e+01 1.64 2.277560600e+01 2.277560600e+01 1.66 2.085272819e+01 2.085272819e+01 1.68 1.905029304e+01 1.905029304e+01 1.70 1.725034768e+01 1.725034768e+01 1.72 1.557901237e+01 1.557901237e+01 1.74 1.416650705e+01 1.416650705e+01 1.76 1.271438833e+01 1.271438833e+01 1.78 1.136682046e+01 1.136682046e+01 1.80 1.011657828e+01 1.011657828e+01 1.82 9.140197612e+00 9.140197612e+00 1.84 8.050382579e+00 8.050382579e+00 1.86 7.289873180e+00 7.289873180e+00 1.88 6.333859444e+00 6.333859444e+00 1.90 5.448792292e+00 5.448792292e+00 1.92 4.629833830e+00 4.629833830e+00 1.94 3.943577215e+00 3.943577215e+00 1.96 3.238295638e+00 3.238295638e+00 1.98 2.586946829e+00 2.586946829e+00 2.00 1.985874716e+00 1.985874716e+00 2.02 1.431674056e+00 1.431674056e+00 2.04 9.211720513e-01 9.211720513e-01 2.06 4.514114347e-01 4.514114347e-01 2.08 1.963489454e-02 1.963489454e-02 2.10 -2.650642452e-01 -2.650651754e-01 2.12 -5.751688943e-01 -5.751688943e-01 2.14 -9.196278237e-01 -9.196278237e-01 2.16 -1.234552633e+00 -1.234552633e+00 2.18 -1.521955084e+00 -1.521955084e+00 2.20 -1.783713903e+00 -1.783713903e+00 2.22 -2.021583949e+00 -2.021583949e+00 2.24 -2.094963831e+00 -2.094963831e+00 2.26 -2.299200190e+00 -2.299200190e+00 2.28 -2.483541044e+00 -2.483541044e+00 2.30 -2.649363956e+00 -2.649363956e+00 2.32 -2.797956799e+00 -2.797956799e+00 2.34 -2.930523722e+00 -2.930523722e+00 2.36 -3.048190694e+00 -3.048190694e+00 2.38 -3.152010658e+00 -3.152010658e+00 2.40 -3.242968327e+00 -3.242968327e+00 2.42 -3.321984647e+00 -3.321984647e+00 2.44 -3.242520390e+00 -3.242520390e+00 2.46 -3.309035587e+00 -3.309035587e+00 2.48 -3.365500473e+00 -3.365500473e+00 2.50 -3.412650966e+00 -3.412650966e+00 2.52 -3.324665128e+00 -3.324665128e+00 2.54 -3.362898271e+00 -3.362898271e+00 2.56 -3.393287867e+00 -3.393287867e+00 2.58 -3.416425105e+00 -3.416425105e+00 2.60 -3.432863084e+00 -3.432863084e+00 2.62 -3.443119207e+00 -3.443119207e+00 2.64 -3.447677412e+00 -3.447677412e+00 2.66 -3.446990268e+00 -3.446990268e+00 2.68 -3.441480931e+00 -3.441480931e+00 2.70 -3.431544975e+00 -3.431544975e+00 2.72 -3.417552119e+00 -3.417552119e+00 2.74 -3.363948278e+00 -3.363948278e+00 2.76 -3.344790287e+00 -3.344790287e+00 2.78 -3.322441134e+00 -3.322441134e+00 2.80 -3.297187709e+00 -3.297187709e+00 2.82 -3.269297856e+00 -3.269297856e+00 2.84 -3.239021552e+00 -3.239021552e+00 2.86 -3.206592012e+00 -3.206592012e+00 2.88 -3.172226726e+00 -3.172226726e+00 2.90 -3.136128435e+00 -3.136128435e+00 2.92 -3.098486040e+00 -3.098486040e+00 2.94 -3.059475462e+00 -3.059475462e+00 2.96 -3.019260449e+00 -3.019260449e+00 2.98 -2.977993325e+00 -2.977993325e+00 3.00 -2.935815708e+00 -2.935815708e+00 3.02 -2.892859169e+00 -2.892859169e+00 3.04 -2.849245862e+00 -2.849245862e+00 3.06 -2.805089113e+00 -2.805089113e+00 3.08 -2.760493967e+00 -2.760493967e+00 3.10 -2.715557712e+00 -2.715557712e+00 3.12 -2.670370361e+00 -2.670370361e+00 3.14 -2.625015117e+00 -2.625015117e+00 3.16 -2.531596813e+00 -2.531596813e+00 3.18 -2.488377806e+00 -2.488377806e+00 3.20 -2.445098968e+00 -2.445098968e+00 3.22 -2.401825114e+00 -2.401825114e+00 3.24 -2.358615940e+00 -2.358615940e+00 3.26 -2.315526338e+00 -2.315526338e+00 3.28 -2.272606709e+00 -2.272606709e+00 3.30 -2.099741739e+00 -2.099741739e+00 3.32 -2.063360286e+00 -2.063360286e+00 3.34 -2.026995423e+00 -2.026995423e+00 3.36 -1.990695041e+00 -1.990695041e+00 3.38 -1.954503243e+00 -1.954503243e+00 3.40 -1.918460580e+00 -1.918460580e+00 3.42 -1.882604269e+00 -1.882604269e+00 3.44 -1.846968399e+00 -1.846968399e+00 3.46 -1.811584134e+00 -1.811584134e+00 3.48 -1.776479888e+00 -1.776479888e+00 3.50 -1.741681507e+00 -1.741681507e+00 3.52 -1.707212428e+00 -1.707212428e+00 3.54 -1.673093836e+00 -1.673093836e+00 3.56 -1.639344808e+00 -1.639344808e+00 3.58 -1.605982450e+00 -1.605982450e+00 3.60 -1.573022030e+00 -1.573022030e+00 3.62 -1.540477091e+00 -1.540477091e+00 3.64 -1.508359577e+00 -1.508359577e+00 3.66 -1.476679929e+00 -1.476679929e+00 3.68 -1.445447196e+00 -1.445447196e+00 3.70 -1.414669125e+00 -1.414669125e+00 3.72 -1.384352252e+00 -1.384352252e+00 3.74 -1.354501988e+00 -1.354501988e+00 3.76 -1.325122697e+00 -1.325122697e+00 3.78 -1.296217772e+00 -1.296217772e+00 3.80 -1.267789704e+00 -1.267789704e+00 3.82 -1.239840149e+00 -1.239840149e+00 3.84 -1.212369988e+00 -1.212369988e+00 3.86 -1.111447625e+00 -1.111447625e+00 3.88 -1.087776155e+00 -1.087776155e+00 3.90 -1.064474090e+00 -1.064474090e+00 3.92 -1.041543861e+00 -1.041543861e+00 3.94 -1.018987237e+00 -1.018987237e+00 3.96 -9.968053683e-01 -9.968053683e-01 3.98 -9.749988362e-01 -9.749988362e-01 4.00 -9.535676910e-01 -9.535676910e-01 4.02 -9.325114939e-01 -9.325114939e-01 4.04 -9.118293537e-01 -9.118293537e-01 4.06 -8.915199621e-01 -8.915199621e-01 4.08 -8.715816266e-01 -8.715816266e-01 4.10 -8.520123014e-01 -8.520123014e-01 4.12 -8.328096168e-01 -8.328096168e-01 4.14 -8.139709064e-01 -8.139709064e-01 4.16 -7.954932329e-01 -7.954932329e-01 4.18 -7.773734123e-01 -7.773734123e-01 4.20 -7.596080362e-01 -7.596080362e-01 4.22 -7.421934936e-01 -7.421934936e-01 4.24 -7.251259902e-01 -7.251259902e-01 4.26 -7.084015675e-01 -7.084015675e-01 4.28 -6.920161201e-01 -6.920161201e-01 4.30 -6.759654118e-01 -6.759654118e-01 4.32 -6.602450914e-01 -6.602450914e-01 4.34 -6.448507063e-01 -6.448507063e-01 4.36 -6.297777164e-01 -6.297777164e-01 4.38 -6.150215065e-01 -6.150215065e-01 4.40 -6.005773976e-01 -6.005773976e-01 4.42 -5.864406580e-01 -5.864406580e-01 4.44 -5.726065130e-01 -5.726065130e-01 4.46 -5.590701550e-01 -5.590701550e-01 4.48 -5.458267516e-01 -5.458267516e-01 4.50 -5.328714537e-01 -5.328714537e-01 4.52 -5.201994034e-01 -5.201994034e-01 4.54 -5.078057408e-01 -5.078057408e-01 4.56 -4.956856102e-01 -4.956856102e-01 4.58 -4.838341665e-01 -4.838341665e-01 4.60 -4.722465801e-01 -4.722465801e-01 4.62 -4.609180426e-01 -4.609180426e-01 4.64 -4.498437710e-01 -4.498437710e-01 4.66 -4.390190122e-01 -4.390190122e-01 4.68 -4.284390467e-01 -4.284390467e-01 4.70 -4.180991926e-01 -4.180991926e-01 4.72 -4.079948081e-01 -4.079948081e-01 4.74 -3.981212955e-01 -3.981212955e-01 4.76 -3.884741027e-01 -3.884741027e-01 4.78 -3.790487268e-01 -3.790487268e-01 4.80 -3.698407154e-01 -3.698407154e-01 4.82 -3.608456689e-01 -3.608456689e-01 4.84 -3.520592421e-01 -3.520592421e-01 4.86 -3.434771462e-01 -3.434771462e-01 4.88 -3.350951494e-01 -3.350951494e-01 4.90 -3.269090786e-01 -3.269090786e-01 4.92 -3.189148203e-01 -3.189148203e-01 4.94 -3.111083212e-01 -3.111083212e-01 4.96 -3.034855894e-01 -3.034855894e-01 4.98 -2.960426946e-01 -2.960426946e-01 5.00 -2.887757686e-01 -2.887757686e-01 5.02 -2.816810058e-01 -2.816810058e-01 5.04 -2.747546633e-01 -2.747546633e-01 5.06 -2.679930610e-01 -2.679930610e-01 5.08 -2.613925819e-01 -2.613925819e-01 5.10 -2.549496717e-01 -2.549496717e-01 5.12 -2.486608391e-01 -2.486608391e-01 5.14 -2.425226551e-01 -2.425226551e-01 5.16 -2.365317532e-01 -2.365317532e-01 5.18 -2.306848290e-01 -2.306848290e-01 5.20 -2.249786394e-01 -2.249786394e-01 5.22 -2.194100027e-01 -2.194100027e-01 5.24 -2.139757981e-01 -2.139757981e-01 5.26 -2.086729648e-01 -2.086729648e-01 5.28 -2.034985016e-01 -2.034985016e-01 5.30 -1.984494665e-01 -1.984494665e-01 5.32 -1.935229759e-01 -1.935229759e-01 5.34 -1.887162042e-01 -1.887162042e-01 5.36 -1.840263824e-01 -1.840263824e-01 5.38 -1.794507985e-01 -1.794507985e-01 5.40 -1.749867959e-01 -1.749867959e-01 5.42 -1.706317728e-01 -1.706317728e-01 5.44 -1.663831820e-01 -1.663831820e-01 5.46 -1.255916581e-01 -1.255916581e-01 5.48 -1.225496854e-01 -1.225496854e-01 5.50 -1.195796038e-01 -1.195796038e-01 5.52 -1.166798043e-01 -1.166798043e-01 5.54 -1.138487090e-01 -1.138487090e-01 5.56 -1.110847712e-01 -1.110847712e-01 5.58 -1.083864746e-01 -1.083864746e-01 5.60 -1.057523336e-01 -1.057523336e-01 5.62 -1.031808922e-01 -1.031808922e-01 5.64 -1.006707239e-01 -1.006707239e-01 5.66 -9.822043133e-02 -9.822043133e-02 5.68 -9.582864591e-02 -9.582864591e-02 5.70 -9.349402716e-02 -9.349402716e-02 5.72 -9.121526247e-02 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