# 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 = CrFeMn2 # 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 2.183170063e+02 2.183170063e+02 1.10 2.012592830e+02 2.012592830e+02 1.12 1.853520616e+02 1.853520616e+02 1.14 1.706673321e+02 1.706673321e+02 1.16 1.573041667e+02 1.573041667e+02 1.18 1.449384436e+02 1.449384436e+02 1.20 1.338485729e+02 1.338485729e+02 1.22 1.233262331e+02 1.233262331e+02 1.24 1.135498973e+02 1.135498973e+02 1.26 1.046707339e+02 1.046707474e+02 1.28 9.643606964e+01 9.643606964e+01 1.30 8.883711549e+01 8.883711549e+01 1.32 8.171148922e+01 8.171148922e+01 1.34 7.533794107e+01 7.533794107e+01 1.36 6.923084657e+01 6.923084657e+01 1.38 6.360386330e+01 6.360386330e+01 1.40 5.838354950e+01 5.838354950e+01 1.42 5.355582706e+01 5.355582706e+01 1.44 4.929057053e+01 4.929057053e+01 1.46 4.528674297e+01 4.528674297e+01 1.48 4.142582291e+01 4.142582291e+01 1.50 3.785371292e+01 3.785371292e+01 1.52 3.462144900e+01 3.462144900e+01 1.54 3.169541981e+01 3.169541981e+01 1.56 2.884281434e+01 2.884281434e+01 1.58 2.622835678e+01 2.622835678e+01 1.60 2.378404743e+01 2.378404743e+01 1.62 2.152283674e+01 2.152283674e+01 1.64 1.943121908e+01 1.943121908e+01 1.66 1.756695781e+01 1.756695781e+01 1.68 1.584042098e+01 1.584042098e+01 1.70 1.417361491e+01 1.417361491e+01 1.72 1.263339066e+01 1.263339066e+01 1.74 1.128155723e+01 1.128155723e+01 1.76 9.960963937e+00 9.960963937e+00 1.78 8.742107521e+00 8.742107521e+00 1.80 7.617673138e+00 7.617673138e+00 1.82 6.675191940e+00 6.675191940e+00 1.84 5.711267900e+00 5.711267900e+00 1.86 4.963527690e+00 4.963527690e+00 1.88 4.134345069e+00 4.134345069e+00 1.90 3.372066335e+00 3.372066335e+00 1.92 2.671894429e+00 2.671894429e+00 1.94 2.065725661e+00 2.065725661e+00 1.96 1.473636406e+00 1.473636406e+00 1.98 9.314957890e-01 9.314957890e-01 2.00 4.357170988e-01 4.357170988e-01 2.02 -1.703218827e-02 -1.703218827e-02 2.04 -4.298493018e-01 -4.298493018e-01 2.06 -8.056135536e-01 -8.056135536e-01 2.08 -1.147002328e+00 -1.147002328e+00 2.10 -1.393515858e+00 -1.393516182e+00 2.12 -1.644074026e+00 -1.644074026e+00 2.14 -1.903856882e+00 -1.903856882e+00 2.16 -2.137663325e+00 -2.137663325e+00 2.18 -2.347404557e+00 -2.347404557e+00 2.20 -2.534859309e+00 -2.534859309e+00 2.22 -2.701683201e+00 -2.701683201e+00 2.24 -2.776688507e+00 -2.776688507e+00 2.26 -2.912163848e+00 -2.912163848e+00 2.28 -3.030920877e+00 -3.030920877e+00 2.30 -3.134232449e+00 -3.134232449e+00 2.32 -3.223283520e+00 -3.223283520e+00 2.34 -3.299177207e+00 -3.299177207e+00 2.36 -3.362940417e+00 -3.362940417e+00 2.38 -3.415529060e+00 -3.415529060e+00 2.40 -3.457832906e+00 -3.457832906e+00 2.42 -3.490680084e+00 -3.490680084e+00 2.44 -3.438921496e+00 -3.438921496e+00 2.46 -3.460283189e+00 -3.460283189e+00 2.48 -3.473992611e+00 -3.473992611e+00 2.50 -3.480693989e+00 -3.480693989e+00 2.52 -3.409975873e+00 -3.409975873e+00 2.54 -3.409129990e+00 -3.409129990e+00 2.56 -3.402638987e+00 -3.402638987e+00 2.58 -3.391004916e+00 -3.391004916e+00 2.60 -3.374694423e+00 -3.374694423e+00 2.62 -3.354141109e+00 -3.354141109e+00 2.64 -3.329747733e+00 -3.329747733e+00 2.66 -3.301888274e+00 -3.301888274e+00 2.68 -3.270909843e+00 -3.270909843e+00 2.70 -3.237134486e+00 -3.237134486e+00 2.72 -3.200860845e+00 -3.200860845e+00 2.74 -3.143986285e+00 -3.143986285e+00 2.76 -3.104647287e+00 -3.104647287e+00 2.78 -3.063512506e+00 -3.063512506e+00 2.80 -3.020805725e+00 -3.020805725e+00 2.82 -2.976733931e+00 -2.976733931e+00 2.84 -2.931488439e+00 -2.931488439e+00 2.86 -2.885245939e+00 -2.885245939e+00 2.88 -2.838169483e+00 -2.838169483e+00 2.90 -2.790409402e+00 -2.790409402e+00 2.92 -2.742104161e+00 -2.742104161e+00 2.94 -2.693381169e+00 -2.693381169e+00 2.96 -2.644357522e+00 -2.644357522e+00 2.98 -2.595140708e+00 -2.595140708e+00 3.00 -2.545829263e+00 -2.545829263e+00 3.02 -2.496513381e+00 -2.496513381e+00 3.04 -2.447275494e+00 -2.447275494e+00 3.06 -2.398190797e+00 -2.398190797e+00 3.08 -2.349327762e+00 -2.349327762e+00 3.10 -2.300748596e+00 -2.300748596e+00 3.12 -2.252509685e+00 -2.252509685e+00 3.14 -2.204662000e+00 -2.204662000e+00 3.16 -2.132624863e+00 -2.132624863e+00 3.18 -2.087002007e+00 -2.087002007e+00 3.20 -2.041825190e+00 -2.041825190e+00 3.22 -1.997130962e+00 -1.997130962e+00 3.24 -1.952951949e+00 -1.952951949e+00 3.26 -1.909317138e+00 -1.909317138e+00 3.28 -1.866252141e+00 -1.866252141e+00 3.30 -1.750521164e+00 -1.750521164e+00 3.32 -1.712389593e+00 -1.712389593e+00 3.34 -1.674697698e+00 -1.674697698e+00 3.36 -1.637469421e+00 -1.637469421e+00 3.38 -1.600725940e+00 -1.600725940e+00 3.40 -1.564485867e+00 -1.564485867e+00 3.42 -1.528765438e+00 -1.528765438e+00 3.44 -1.493578684e+00 -1.493578684e+00 3.46 -1.458937593e+00 -1.458937593e+00 3.48 -1.424852265e+00 -1.424852265e+00 3.50 -1.391331053e+00 -1.391331053e+00 3.52 -1.358380697e+00 -1.358380697e+00 3.54 -1.326006449e+00 -1.326006449e+00 3.56 -1.294212189e+00 -1.294212189e+00 3.58 -1.263000534e+00 -1.263000534e+00 3.60 -1.232372942e+00 -1.232372942e+00 3.62 -1.202329804e+00 -1.202329804e+00 3.64 -1.172870535e+00 -1.172870535e+00 3.66 -1.143993657e+00 -1.143993657e+00 3.68 -1.115696876e+00 -1.115696876e+00 3.70 -1.087977153e+00 -1.087977153e+00 3.72 -1.060830774e+00 -1.060830774e+00 3.74 -1.034253410e+00 -1.034253410e+00 3.76 -1.008240178e+00 -1.008240178e+00 3.78 -9.827856955e-01 -9.827856955e-01 3.80 -9.578841271e-01 -9.578841271e-01 3.82 -9.335292370e-01 -9.335292370e-01 3.84 -9.097144299e-01 -9.097144299e-01 3.86 -8.484310812e-01 -8.484310812e-01 3.88 -8.273293664e-01 -8.273293664e-01 3.90 -8.066744744e-01 -8.066744744e-01 3.92 -7.864618391e-01 -7.864618391e-01 3.94 -7.666865814e-01 -7.666865814e-01 3.96 -7.473435428e-01 -7.473435428e-01 3.98 -7.284273158e-01 -7.284273158e-01 4.00 -7.099322733e-01 -7.099322733e-01 4.02 -6.918525949e-01 -6.918525949e-01 4.04 -6.741822923e-01 -6.741822923e-01 4.06 -6.569152318e-01 -6.569152318e-01 4.08 -6.400451564e-01 -6.400451564e-01 4.10 -6.235657052e-01 -6.235657052e-01 4.12 -6.074704319e-01 -6.074704319e-01 4.14 -5.917528222e-01 -5.917528222e-01 4.16 -5.764063087e-01 -5.764063087e-01 4.18 -5.614242864e-01 -5.614242864e-01 4.20 -5.468001255e-01 -5.468001255e-01 4.22 -5.325271838e-01 -5.325271838e-01 4.24 -5.185988180e-01 -5.185988180e-01 4.26 -5.050083946e-01 -5.050083946e-01 4.28 -4.917492987e-01 -4.917492987e-01 4.30 -4.788149433e-01 -4.788149433e-01 4.32 -4.661987768e-01 -4.661987768e-01 4.34 -4.538942908e-01 -4.538942908e-01 4.36 -4.418950263e-01 -4.418950263e-01 4.38 -4.301945797e-01 -4.301945797e-01 4.40 -4.187866084e-01 -4.187866084e-01 4.42 -4.076648356e-01 -4.076648356e-01 4.44 -3.968230546e-01 -3.968230546e-01 4.46 -3.862551325e-01 -3.862551325e-01 4.48 -3.759550143e-01 -3.759550143e-01 4.50 -3.659167251e-01 -3.659167251e-01 4.52 -3.561343736e-01 -3.561343736e-01 4.54 -3.466021538e-01 -3.466021538e-01 4.56 -3.373143473e-01 -3.373143473e-01 4.58 -3.282653251e-01 -3.282653251e-01 4.60 -3.194495487e-01 -3.194495487e-01 4.62 -3.108615717e-01 -3.108615717e-01 4.64 -3.024960404e-01 -3.024960404e-01 4.66 -2.943476944e-01 -2.943476944e-01 4.68 -2.864113676e-01 -2.864113676e-01 4.70 -2.786819882e-01 -2.786819882e-01 4.72 -2.711545788e-01 -2.711545788e-01 4.74 -2.638242564e-01 -2.638242564e-01 4.76 -2.566862324e-01 -2.566862324e-01 4.78 -2.497358123e-01 -2.497358123e-01 4.80 -2.429683951e-01 -2.429683951e-01 4.82 -2.363794729e-01 -2.363794729e-01 4.84 -2.299646303e-01 -2.299646303e-01 4.86 -2.237195436e-01 -2.237195436e-01 4.88 -2.176399799e-01 -2.176399799e-01 4.90 -2.117217967e-01 -2.117217967e-01 4.92 -2.059609402e-01 -2.059609402e-01 4.94 -2.003534450e-01 -2.003534450e-01 4.96 -1.948954325e-01 -1.948954325e-01 4.98 -1.895831103e-01 -1.895831103e-01 5.00 -1.844127706e-01 -1.844127706e-01 5.02 -1.793807891e-01 -1.793807891e-01 5.04 -1.744836242e-01 -1.744836242e-01 5.06 -1.697178149e-01 -1.697178149e-01 5.08 -1.650799806e-01 -1.650799806e-01 5.10 -1.605668188e-01 -1.605668188e-01 5.12 -1.561751045e-01 -1.561751045e-01 5.14 -1.519016886e-01 -1.519016886e-01 5.16 -1.477434963e-01 -1.477434963e-01 5.18 -1.436975265e-01 -1.436975265e-01 5.20 -1.397608496e-01 -1.397608496e-01 5.22 -1.359306068e-01 -1.359306068e-01 5.24 -1.322040085e-01 -1.322040085e-01 5.26 -1.285783327e-01 -1.285783327e-01 5.28 -1.250509244e-01 -1.250509244e-01 5.30 -1.216191934e-01 -1.216191934e-01 5.32 -1.182806136e-01 -1.182806136e-01 5.34 -1.150327214e-01 -1.150327214e-01 5.36 -1.118731145e-01 -1.118731145e-01 5.38 -1.087994505e-01 -1.087994505e-01 5.40 -1.058094458e-01 -1.058094458e-01 5.42 -1.029008742e-01 -1.029008742e-01 5.44 -1.000715656e-01 -1.000715656e-01 5.46 -7.845860597e-02 -7.845860597e-02 5.48 -7.636702993e-02 -7.636702993e-02 5.50 -7.433043253e-02 -7.433043253e-02 5.52 -7.234741101e-02 -7.234741101e-02 5.54 -7.041659612e-02 -7.041659612e-02 5.56 -6.853665134e-02 -6.853665134e-02 5.58 -6.670627231e-02 -6.670627231e-02 5.60 -6.492418616e-02 -6.492418616e-02 5.62 -6.318915080e-02 -6.318915080e-02 5.64 -6.149995437e-02 -6.149995437e-02 5.66 -5.985541453e-02 -5.985541453e-02 5.68 -5.825437788e-02 -5.825437788e-02 5.70 -5.669571931e-02 -5.669571931e-02 5.72 -5.517834140e-02 -5.517834140e-02 5.74 -5.370117385e-02 -5.370117385e-02 5.76 -5.226317281e-02 -5.226317281e-02 5.78 -5.086332037e-02 -5.086332037e-02 5.80 -4.950062394e-02 -4.950062394e-02 5.82 -4.817411569e-02 -4.817411569e-02 5.84 -4.688285201e-02 -4.688285201e-02 5.86 -4.562591293e-02 -4.562591293e-02 5.88 -4.440240161e-02 -4.440240161e-02 5.90 -4.321144377e-02 -4.321144377e-02 5.92 -4.205218722e-02 -4.205218722e-02 5.94 -4.092380130e-02 -4.092380130e-02 5.96 -3.982547641e-02 -3.982547641e-02 5.98 -3.875642349e-02 -3.875642349e-02 6.00 -3.771587357e-02 -3.771587357e-02