# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Ti-Co # implementation = 2025--Sharifi-H--Fe-Ti-Co--LAMMPS--ipr1 # composition = CoFeTi2 # 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 1.843236769e+02 1.843236769e+02 1.00 1.761170560e+02 1.761170560e+02 1.02 1.689170460e+02 1.689170460e+02 1.04 1.625723438e+02 1.625723438e+02 1.06 1.567670504e+02 1.567670504e+02 1.08 1.512748406e+02 1.512748406e+02 1.10 1.459389772e+02 1.459389772e+02 1.12 1.406561433e+02 1.406561433e+02 1.14 1.353634738e+02 1.353634738e+02 1.16 1.300281987e+02 1.300281987e+02 1.18 1.246394413e+02 1.246394413e+02 1.20 1.192017636e+02 1.192017636e+02 1.22 1.137301339e+02 1.137301339e+02 1.24 1.082460514e+02 1.082460514e+02 1.26 1.027745983e+02 1.027745983e+02 1.28 9.734223988e+01 9.734223988e+01 1.30 9.197521988e+01 9.197521988e+01 1.32 8.669842714e+01 8.669842714e+01 1.34 8.153463263e+01 8.153463263e+01 1.36 7.650401343e+01 7.650401343e+01 1.38 7.162389767e+01 7.162389767e+01 1.40 6.690867537e+01 6.690867537e+01 1.42 6.236983174e+01 6.236983174e+01 1.44 5.801606888e+01 5.801606888e+01 1.46 5.385348736e+01 5.385348736e+01 1.48 4.988580668e+01 4.988580668e+01 1.50 4.611460788e+01 4.611460788e+01 1.52 4.253958519e+01 4.253958519e+01 1.54 3.915879747e+01 3.915879747e+01 1.56 3.596891200e+01 3.596891200e+01 1.58 3.296543573e+01 3.296543573e+01 1.60 3.014293093e+01 3.014293093e+01 1.62 2.749521277e+01 2.749521277e+01 1.64 2.501552811e+01 2.501552811e+01 1.66 2.269671499e+01 2.269671499e+01 1.68 2.053134321e+01 2.053134321e+01 1.70 1.851183660e+01 1.851183660e+01 1.72 1.663057804e+01 1.663057804e+01 1.74 1.487999838e+01 1.487999838e+01 1.76 1.325265031e+01 1.325265031e+01 1.78 1.174126515e+01 1.174126515e+01 1.80 1.033879408e+01 1.033879408e+01 1.82 9.038441922e+00 9.038441922e+00 1.84 7.833693001e+00 7.833693001e+00 1.86 6.718330046e+00 6.718330046e+00 1.88 5.686447227e+00 5.686447227e+00 1.90 4.732457953e+00 4.732457953e+00 1.92 3.851098043e+00 3.851098043e+00 1.94 3.037424948e+00 3.037424948e+00 1.96 2.286813752e+00 2.286813752e+00 1.98 1.594950368e+00 1.594950368e+00 2.00 9.578223250e-01 9.578223250e-01 2.02 3.717008793e-01 3.717008793e-01 2.04 -1.668886258e-01 -1.668886258e-01 2.06 -6.611874690e-01 -6.611874690e-01 2.08 -1.114218290e+00 -1.114218290e+00 2.10 -1.528790468e+00 -1.528790468e+00 2.12 -1.907522403e+00 -1.907522403e+00 2.14 -2.252860488e+00 -2.252860488e+00 2.16 -2.567090651e+00 -2.567090651e+00 2.18 -2.852349030e+00 -2.852349030e+00 2.20 -3.110631928e+00 -3.110631928e+00 2.22 -3.343805080e+00 -3.343805080e+00 2.24 -3.553612270e+00 -3.553612270e+00 2.26 -3.741683376e+00 -3.741683376e+00 2.28 -3.909541857e+00 -3.909541857e+00 2.30 -4.058611725e+00 -4.058611725e+00 2.32 -4.190228087e+00 -4.190228087e+00 2.34 -4.305661901e+00 -4.305661901e+00 2.36 -4.406106750e+00 -4.406106750e+00 2.38 -4.492674701e+00 -4.492674701e+00 2.40 -4.566401852e+00 -4.566401852e+00 2.42 -4.628253514e+00 -4.628253514e+00 2.44 -4.679129019e+00 -4.679129019e+00 2.46 -4.719866203e+00 -4.719866203e+00 2.48 -4.751245583e+00 -4.751245583e+00 2.50 -4.774019581e+00 -4.774019581e+00 2.52 -4.789020996e+00 -4.789020996e+00 2.54 -4.797052558e+00 -4.797052558e+00 2.56 -4.798863654e+00 -4.798863654e+00 2.58 -4.795148622e+00 -4.795148622e+00 2.60 -4.786530794e+00 -4.786530794e+00 2.62 -4.773568586e+00 -4.773568586e+00 2.64 -4.756761722e+00 -4.756761722e+00 2.66 -4.736556909e+00 -4.736556909e+00 2.68 -4.713353001e+00 -4.713353001e+00 2.70 -4.687505705e+00 -4.687505705e+00 2.72 -4.659331863e+00 -4.659331863e+00 2.74 -4.629113340e+00 -4.629113340e+00 2.76 -4.597100563e+00 -4.597100563e+00 2.78 -4.563515722e+00 -4.563515722e+00 2.80 -4.528555683e+00 -4.528555683e+00 2.82 -4.492394612e+00 -4.492394612e+00 2.84 -4.455186352e+00 -4.455186352e+00 2.86 -4.417066568e+00 -4.417066568e+00 2.88 -4.378154689e+00 -4.378154689e+00 2.90 -4.338555651e+00 -4.338555651e+00 2.92 -4.298361483e+00 -4.298361483e+00 2.94 -4.257652726e+00 -4.257652726e+00 2.96 -4.216499727e+00 -4.216499727e+00 2.98 -4.174963795e+00 -4.174963795e+00 3.00 -4.133098250e+00 -4.133098250e+00 3.02 -4.090949361e+00 -4.090949361e+00 3.04 -4.048557195e+00 -4.048557195e+00 3.06 -4.005956365e+00 -4.005956365e+00 3.08 -3.963176713e+00 -3.963176713e+00 3.10 -3.920243906e+00 -3.920243906e+00 3.12 -3.877179974e+00 -3.877179974e+00 3.14 -3.834003778e+00 -3.834003778e+00 3.16 -3.790731438e+00 -3.790731438e+00 3.18 -3.747376695e+00 -3.747376695e+00 3.20 -3.703951238e+00 -3.703951238e+00 3.22 -3.660464988e+00 -3.660464988e+00 3.24 -3.616926340e+00 -3.616926340e+00 3.26 -3.573342378e+00 -3.573342378e+00 3.28 -3.529719054e+00 -3.529719054e+00 3.30 -3.486061340e+00 -3.486061340e+00 3.32 -3.442373365e+00 -3.442373365e+00 3.34 -3.398658525e+00 -3.398658525e+00 3.36 -3.354919580e+00 -3.354919580e+00 3.38 -3.311158752e+00 -3.311158752e+00 3.40 -3.267377802e+00 -3.267377802e+00 3.42 -3.223578124e+00 -3.223578124e+00 3.44 -3.179760822e+00 -3.179760822e+00 3.46 -3.135926811e+00 -3.135926811e+00 3.48 -3.092076904e+00 -3.092076904e+00 3.50 -3.048211916e+00 -3.048211916e+00 3.52 -3.004332766e+00 -3.004332766e+00 3.54 -2.960440576e+00 -2.960440576e+00 3.56 -2.916536776e+00 -2.916536776e+00 3.58 -2.872623196e+00 -2.872623196e+00 3.60 -2.828702145e+00 -2.828702145e+00 3.62 -2.784776490e+00 -2.784776490e+00 3.64 -2.740849695e+00 -2.740849695e+00 3.66 -2.696925848e+00 -2.696925848e+00 3.68 -2.653009645e+00 -2.653009645e+00 3.70 -2.609106340e+00 -2.609106340e+00 3.72 -2.565221639e+00 -2.565221639e+00 3.74 -2.521361545e+00 -2.521361545e+00 3.76 -2.477532143e+00 -2.477532143e+00 3.78 -2.433739333e+00 -2.433739333e+00 3.80 -2.389988511e+00 -2.389988511e+00 3.82 -2.346284221e+00 -2.346284221e+00 3.84 -2.302629796e+00 -2.302629796e+00 3.86 -2.259027014e+00 -2.259027014e+00 3.88 -2.215475807e+00 -2.215475807e+00 3.90 -2.171974061e+00 -2.171974061e+00 3.92 -2.128517529e+00 -2.128517529e+00 3.94 -2.085099895e+00 -2.085099895e+00 3.96 -2.041713001e+00 -2.041713001e+00 3.98 -1.998347240e+00 -1.998347240e+00 4.00 -1.954992111e+00 -1.954992111e+00 4.02 -1.911636909e+00 -1.911636909e+00 4.04 -1.868271531e+00 -1.868271531e+00 4.06 -1.824887348e+00 -1.824887348e+00 4.08 -1.781478120e+00 -1.781478120e+00 4.10 -1.738040902e+00 -1.738040902e+00 4.12 -1.694576920e+00 -1.694576920e+00 4.14 -1.651092388e+00 -1.651092388e+00 4.16 -1.607599237e+00 -1.607599237e+00 4.18 -1.564115759e+00 -1.564115759e+00 4.20 -1.520667135e+00 -1.520667135e+00 4.22 -1.477285863e+00 -1.477285863e+00 4.24 -1.434012052e+00 -1.434012052e+00 4.26 -1.389919497e+00 -1.389919497e+00 4.28 -1.324593975e+00 -1.324593975e+00 4.30 -1.177234328e+00 -1.177234328e+00 4.32 -9.307626611e-01 -9.307626611e-01 4.34 -8.399297469e-01 -8.399297469e-01 4.36 -8.071283294e-01 -8.071283294e-01 4.38 -7.757256035e-01 -7.757256035e-01 4.40 -7.457175988e-01 -7.457175988e-01 4.42 -7.170867379e-01 -7.170867379e-01 4.44 -6.898027594e-01 -6.898027594e-01 4.46 -6.638239938e-01 -6.638239938e-01 4.48 -6.390989246e-01 -6.390989246e-01 4.50 -6.155679506e-01 -6.155679506e-01 4.52 -5.931652693e-01 -5.931652693e-01 4.54 -5.718207954e-01 -5.718207954e-01 4.56 -5.514620373e-01 -5.514620373e-01 4.58 -5.320158627e-01 -5.320158627e-01 4.60 -5.134100966e-01 -5.134100966e-01 4.62 -4.955749075e-01 -4.955749075e-01 4.64 -4.784439545e-01 -4.784439545e-01 4.66 -4.619552789e-01 -4.619552789e-01 4.68 -4.460519401e-01 -4.460519401e-01 4.70 -4.306824057e-01 -4.306824057e-01 4.72 -4.158007166e-01 -4.158007166e-01 4.74 -4.013664531e-01 -4.013664531e-01 4.76 -3.873445367e-01 -3.873445367e-01 4.78 -3.737049006e-01 -3.737049006e-01 4.80 -3.604220661e-01 -3.604220661e-01 4.82 -3.474746583e-01 -3.474746583e-01 4.84 -3.348448918e-01 -3.348448918e-01 4.86 -3.225180547e-01 -3.225180547e-01 4.88 -3.104820098e-01 -3.104820098e-01 4.90 -2.987267329e-01 -2.987267329e-01 4.92 -2.866305730e-01 -2.866305730e-01 4.94 -2.666765526e-01 -2.666765526e-01 4.96 -2.200286218e-01 -2.200286218e-01 4.98 -1.214766101e-01 -1.214766101e-01 5.00 -2.660189743e-22 -2.658181727e-22 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