# 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 = Co2FeTi # 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 4.117939124e+02 4.117939124e+02 1.00 3.784779559e+02 3.784779559e+02 1.02 3.473812597e+02 3.473812597e+02 1.04 3.187650319e+02 3.187650319e+02 1.06 2.925396801e+02 2.925396801e+02 1.08 2.685709545e+02 2.685709545e+02 1.10 2.467001793e+02 2.467001793e+02 1.12 2.267583492e+02 2.267583492e+02 1.14 2.085757445e+02 2.085757445e+02 1.16 1.919882405e+02 1.919882405e+02 1.18 1.768412147e+02 1.768412147e+02 1.20 1.629917328e+02 1.629917328e+02 1.22 1.503095191e+02 1.503095191e+02 1.24 1.386771001e+02 1.386771001e+02 1.26 1.279893978e+02 1.279893978e+02 1.28 1.181529802e+02 1.181529802e+02 1.30 1.090851204e+02 1.090851204e+02 1.32 1.007127655e+02 1.007127655e+02 1.34 9.297149039e+01 9.297149039e+01 1.36 8.580448451e+01 8.580448451e+01 1.38 7.916160040e+01 7.916160040e+01 1.40 7.299848334e+01 7.299848334e+01 1.42 6.727578939e+01 6.727578939e+01 1.44 6.195849320e+01 6.195849320e+01 1.46 5.701528419e+01 5.701528419e+01 1.48 5.241804466e+01 5.241804466e+01 1.50 4.814140336e+01 4.814140336e+01 1.52 4.416235701e+01 4.416235701e+01 1.54 4.045994839e+01 4.045994839e+01 1.56 3.701498927e+01 3.701498927e+01 1.58 3.380983039e+01 3.380983039e+01 1.60 3.082817312e+01 3.082817312e+01 1.62 2.805491542e+01 2.805491542e+01 1.64 2.547602568e+01 2.547602568e+01 1.66 2.307843938e+01 2.307843938e+01 1.68 2.084997417e+01 2.084997417e+01 1.70 1.877925953e+01 1.877925953e+01 1.72 1.685567790e+01 1.685567790e+01 1.74 1.506931480e+01 1.506931480e+01 1.76 1.341091541e+01 1.341091541e+01 1.78 1.187183535e+01 1.187183535e+01 1.80 1.044398829e+01 1.044398829e+01 1.82 9.119827765e+00 9.119827765e+00 1.84 7.892319620e+00 7.892319620e+00 1.86 6.754911041e+00 6.754911041e+00 1.88 5.701509875e+00 5.701509875e+00 1.90 4.726464308e+00 4.726464308e+00 1.92 3.824542421e+00 3.824542421e+00 1.94 2.990911622e+00 2.990911622e+00 1.96 2.221117470e+00 2.221117470e+00 1.98 1.511040728e+00 1.511040728e+00 2.00 8.568325996e-01 8.568325996e-01 2.02 2.548750545e-01 2.548750545e-01 2.04 -2.982465944e-01 -2.982465944e-01 2.06 -8.057330701e-01 -8.057330701e-01 2.08 -1.270582506e+00 -1.270582506e+00 2.10 -1.695603706e+00 -1.695603706e+00 2.12 -2.083428441e+00 -2.083428441e+00 2.14 -2.436522921e+00 -2.436522921e+00 2.16 -2.757198479e+00 -2.757198479e+00 2.18 -3.047621431e+00 -3.047621431e+00 2.20 -3.309821882e+00 -3.309821882e+00 2.22 -3.545702773e+00 -3.545702773e+00 2.24 -3.757048234e+00 -3.757048234e+00 2.26 -3.945531091e+00 -3.945531091e+00 2.28 -4.112719868e+00 -4.112719868e+00 2.30 -4.260085311e+00 -4.260085311e+00 2.32 -4.389006519e+00 -4.389006519e+00 2.34 -4.500776649e+00 -4.500776649e+00 2.36 -4.596608266e+00 -4.596608266e+00 2.38 -4.677638354e+00 -4.677638354e+00 2.40 -4.744932983e+00 -4.744932983e+00 2.42 -4.799491690e+00 -4.799491690e+00 2.44 -4.842251693e+00 -4.842251693e+00 2.46 -4.874100919e+00 -4.874100919e+00 2.48 -4.895885551e+00 -4.895885551e+00 2.50 -4.908422293e+00 -4.908422293e+00 2.52 -4.912605252e+00 -4.912605252e+00 2.54 -4.909294134e+00 -4.909294134e+00 2.56 -4.899268203e+00 -4.899268203e+00 2.58 -4.883233471e+00 -4.883233471e+00 2.60 -4.861829326e+00 -4.861829326e+00 2.62 -4.835634572e+00 -4.835634572e+00 2.64 -4.805172957e+00 -4.805172957e+00 2.66 -4.770918215e+00 -4.770918215e+00 2.68 -4.733298654e+00 -4.733298654e+00 2.70 -4.692701353e+00 -4.692701353e+00 2.72 -4.649475977e+00 -4.649475977e+00 2.74 -4.603938253e+00 -4.603938253e+00 2.76 -4.556373149e+00 -4.556373149e+00 2.78 -4.507037753e+00 -4.507037753e+00 2.80 -4.456163912e+00 -4.456163912e+00 2.82 -4.403960625e+00 -4.403960625e+00 2.84 -4.350616228e+00 -4.350616228e+00 2.86 -4.296300384e+00 -4.296300384e+00 2.88 -4.241165904e+00 -4.241165904e+00 2.90 -4.185350397e+00 -4.185350397e+00 2.92 -4.128977788e+00 -4.128977788e+00 2.94 -4.072159705e+00 -4.072159705e+00 2.96 -4.014996748e+00 -4.014996748e+00 2.98 -3.957579660e+00 -3.957579660e+00 3.00 -3.899990403e+00 -3.899990403e+00 3.02 -3.842303151e+00 -3.842303151e+00 3.04 -3.784585219e+00 -3.784585219e+00 3.06 -3.726897917e+00 -3.726897917e+00 3.08 -3.669297341e+00 -3.669297341e+00 3.10 -3.611835113e+00 -3.611835113e+00 3.12 -3.554559049e+00 -3.554559049e+00 3.14 -3.497513769e+00 -3.497513769e+00 3.16 -3.440741226e+00 -3.440741226e+00 3.18 -3.384281143e+00 -3.384281143e+00 3.20 -3.328171358e+00 -3.328171358e+00 3.22 -3.272448040e+00 -3.272448040e+00 3.24 -3.217145768e+00 -3.217145768e+00 3.26 -3.162297480e+00 -3.162297480e+00 3.28 -3.107934267e+00 -3.107934267e+00 3.30 -3.054085045e+00 -3.054085045e+00 3.32 -3.000776133e+00 -3.000776133e+00 3.34 -2.948030778e+00 -2.948030778e+00 3.36 -2.895868696e+00 -2.895868696e+00 3.38 -2.844305690e+00 -2.844305690e+00 3.40 -2.793353414e+00 -2.793353414e+00 3.42 -2.743019331e+00 -2.743019331e+00 3.44 -2.693306893e+00 -2.693306893e+00 3.46 -2.644215945e+00 -2.644215945e+00 3.48 -2.595743312e+00 -2.595743312e+00 3.50 -2.547883527e+00 -2.547883527e+00 3.52 -2.500629618e+00 -2.500629618e+00 3.54 -2.453973886e+00 -2.453973886e+00 3.56 -2.407908596e+00 -2.407908596e+00 3.58 -2.362426536e+00 -2.362426536e+00 3.60 -2.317521410e+00 -2.317521410e+00 3.62 -2.273188051e+00 -2.273188051e+00 3.64 -2.229422480e+00 -2.229422480e+00 3.66 -2.186221816e+00 -2.186221816e+00 3.68 -2.143584114e+00 -2.143584114e+00 3.70 -2.101508138e+00 -2.101508138e+00 3.72 -2.059993127e+00 -2.059993127e+00 3.74 -2.019038582e+00 -2.019038582e+00 3.76 -1.978644091e+00 -1.978644091e+00 3.78 -1.938809192e+00 -1.938809192e+00 3.80 -1.899533285e+00 -1.899533285e+00 3.82 -1.860815576e+00 -1.860815576e+00 3.84 -1.822655049e+00 -1.822655049e+00 3.86 -1.785050452e+00 -1.785050452e+00 3.88 -1.748000297e+00 -1.748000297e+00 3.90 -1.711502862e+00 -1.711502862e+00 3.92 -1.675556199e+00 -1.675556199e+00 3.94 -1.640158139e+00 -1.640158139e+00 3.96 -1.605306303e+00 -1.605306303e+00 3.98 -1.570998105e+00 -1.570998105e+00 4.00 -1.537230761e+00 -1.537230761e+00 4.02 -1.504001300e+00 -1.504001300e+00 4.04 -1.471306563e+00 -1.471306563e+00 4.06 -1.439143217e+00 -1.439143217e+00 4.08 -1.407507754e+00 -1.407507754e+00 4.10 -1.376396503e+00 -1.376396503e+00 4.12 -1.345805633e+00 -1.345805633e+00 4.14 -1.315731156e+00 -1.315731156e+00 4.16 -1.286168935e+00 -1.286168935e+00 4.18 -1.257114688e+00 -1.257114688e+00 4.20 -1.228563991e+00 -1.228563991e+00 4.22 -1.200512283e+00 -1.200512283e+00 4.24 -1.172954871e+00 -1.172954871e+00 4.26 -1.145667995e+00 -1.145667995e+00 4.28 -1.114156216e+00 -1.114156216e+00 4.30 -1.063630823e+00 -1.063630823e+00 4.32 -9.757221655e-01 -9.757221655e-01 4.34 -9.292097114e-01 -9.292097114e-01 4.36 -9.073621631e-01 -9.073621631e-01 4.38 -8.859136504e-01 -8.859136504e-01 4.40 -8.648589116e-01 -8.648589116e-01 4.42 -8.441926338e-01 -8.441926338e-01 4.44 -8.239094560e-01 -8.239094560e-01 4.46 -8.040039708e-01 -8.040039708e-01 4.48 -7.844707269e-01 -7.844707269e-01 4.50 -7.653042314e-01 -7.653042314e-01 4.52 -7.464989522e-01 -7.464989522e-01 4.54 -7.280493198e-01 -7.280493198e-01 4.56 -7.099497302e-01 -7.099497302e-01 4.58 -6.921945464e-01 -6.921945464e-01 4.60 -6.747781010e-01 -6.747781010e-01 4.62 -6.576946978e-01 -6.576946978e-01 4.64 -6.409386144e-01 -6.409386144e-01 4.66 -6.245041037e-01 -6.245041037e-01 4.68 -6.083853958e-01 -6.083853958e-01 4.70 -5.925766998e-01 -5.925766998e-01 4.72 -5.770722058e-01 -5.770722058e-01 4.74 -5.618660863e-01 -5.618660863e-01 4.76 -5.469524975e-01 -5.469524975e-01 4.78 -5.323255815e-01 -5.323255815e-01 4.80 -5.179794670e-01 -5.179794670e-01 4.82 -5.039082711e-01 -5.039082711e-01 4.84 -4.901061001e-01 -4.901061001e-01 4.86 -4.765670513e-01 -4.765670513e-01 4.88 -4.632852138e-01 -4.632852138e-01 4.90 -4.502546696e-01 -4.502546696e-01 4.92 -4.366698331e-01 -4.366698331e-01 4.94 -4.124732265e-01 -4.124732265e-01 4.96 -3.502422800e-01 -3.502422800e-01 4.98 -2.038261137e-01 -2.038261137e-01 5.00 -2.814552355e-22 -2.875428501e-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