# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Aslam-I-Baskes-M-I-Dickel-D-E-et-al--Fe-Mn-Si-C # implementation = 2019--Aslam-I--Fe-Mn-Si-C--LAMMPS--ipr1 # composition = FeMnSi2 # 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 2022-05-24 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 4.724411165e+02 4.724411165e+02 1.00 4.398883227e+02 4.398883227e+02 1.02 4.183224842e+02 4.183224842e+02 1.04 4.150941864e+02 4.150941864e+02 1.06 4.216495820e+02 4.216495820e+02 1.08 4.320049435e+02 4.320049435e+02 1.10 4.422610740e+02 4.422610740e+02 1.12 4.500340469e+02 4.500340469e+02 1.14 4.540214179e+02 4.540214179e+02 1.16 4.536741146e+02 4.536741146e+02 1.18 4.489510603e+02 4.489510603e+02 1.20 4.401376160e+02 4.401376160e+02 1.22 4.277132536e+02 4.277132536e+02 1.24 4.122569589e+02 4.122569589e+02 1.26 3.943811838e+02 3.943811838e+02 1.28 3.746873238e+02 3.746873238e+02 1.30 3.537371523e+02 3.537371523e+02 1.32 3.320359597e+02 3.320359597e+02 1.34 3.100241060e+02 3.100241060e+02 1.36 2.880744620e+02 2.880744620e+02 1.38 2.664938787e+02 2.664938787e+02 1.40 2.455272328e+02 2.455272328e+02 1.42 2.253630183e+02 2.253630183e+02 1.44 2.061397362e+02 2.061397362e+02 1.46 1.879525215e+02 1.879525215e+02 1.48 1.708596566e+02 1.708596566e+02 1.50 1.548887227e+02 1.548887227e+02 1.52 1.400422272e+02 1.400422272e+02 1.54 1.263026371e+02 1.263026371e+02 1.56 1.136367682e+02 1.136367682e+02 1.58 1.019995189e+02 1.019995189e+02 1.60 9.133695134e+01 9.133695134e+01 1.62 8.158869687e+01 8.158869687e+01 1.64 7.268962225e+01 7.268962225e+01 1.66 6.457054379e+01 6.457054379e+01 1.68 5.715737106e+01 5.715737106e+01 1.70 5.036671301e+01 5.036671301e+01 1.72 4.409007007e+01 4.409007007e+01 1.74 3.811470102e+01 3.811470102e+01 1.76 3.106781901e+01 3.106781901e+01 1.78 2.853164454e+01 2.853164454e+01 1.80 2.618515060e+01 2.618515060e+01 1.82 2.398238412e+01 2.398238412e+01 1.84 2.193323166e+01 2.193323166e+01 1.86 2.003886523e+01 2.003886523e+01 1.88 1.829461885e+01 1.829461885e+01 1.90 1.669276393e+01 1.669276393e+01 1.92 1.522414975e+01 1.522414975e+01 1.94 1.387913717e+01 1.387913717e+01 1.96 1.264808556e+01 1.264808556e+01 1.98 1.152162677e+01 1.152162677e+01 2.00 1.049083416e+01 1.049083416e+01 2.02 9.547314125e+00 9.547314125e+00 2.04 8.683248249e+00 8.683248249e+00 2.06 7.891404792e+00 7.891404792e+00 2.08 7.165130719e+00 7.165130719e+00 2.10 6.498331363e+00 6.498331363e+00 2.12 5.885443100e+00 5.885443100e+00 2.14 5.321401801e+00 5.321401801e+00 2.16 4.801609310e+00 4.801609310e+00 2.18 4.321899611e+00 4.321899611e+00 2.20 3.878505277e+00 3.878505277e+00 2.22 3.468025050e+00 3.468025050e+00 2.24 3.087392972e+00 3.087392972e+00 2.26 2.733849074e+00 2.733849074e+00 2.28 2.404911984e+00 2.404911984e+00 2.30 2.098353395e+00 2.098353395e+00 2.32 1.812174324e+00 1.812174324e+00 2.34 1.544583263e+00 1.544583263e+00 2.36 1.293976033e+00 1.293976033e+00 2.38 1.058931756e+00 1.058931756e+00 2.40 8.384944858e-01 8.384944858e-01 2.42 6.320778767e-01 6.320778767e-01 2.44 4.391113119e-01 4.391113119e-01 2.46 2.590279508e-01 2.590279508e-01 2.48 9.126742451e-02 9.126742451e-02 2.50 -6.472192378e-02 -6.472192378e-02 2.52 -2.094812007e-01 -2.094812007e-01 2.54 -3.435394787e-01 -3.435394787e-01 2.56 -4.674126027e-01 -4.674126027e-01 2.58 -5.816022584e-01 -5.816022584e-01 2.60 -6.867132428e-01 -6.867132428e-01 2.62 -7.600523108e-01 -7.600523108e-01 2.64 -7.829103049e-01 -7.829103049e-01 2.66 -7.653181947e-01 -7.653181947e-01 2.68 -7.160720366e-01 -7.160720366e-01 2.70 -6.427235575e-01 -6.427235575e-01 2.72 -5.517152143e-01 -5.517152143e-01 2.74 -4.485038325e-01 -4.485038325e-01 2.76 -3.376736395e-01 -3.376736395e-01 2.78 -2.230389402e-01 -2.230389402e-01 2.80 -1.077374492e-01 -1.077374492e-01 2.82 5.685182925e-03 5.685182925e-03 2.84 1.151991819e-01 1.151991819e-01 2.86 2.192219343e-01 2.192219343e-01 2.88 3.165563540e-01 3.165563540e-01 2.90 4.063357637e-01 4.063357637e-01 2.92 4.879746407e-01 4.879746407e-01 2.94 5.611248821e-01 5.611248821e-01 2.96 6.256370405e-01 6.256370405e-01 2.98 6.815260714e-01 6.815260714e-01 3.00 7.289412545e-01 7.289412545e-01 3.02 7.681398324e-01 7.681398324e-01 3.04 7.994640367e-01 7.994640367e-01 3.06 8.233211834e-01 8.233211834e-01 3.08 8.401664936e-01 8.401664936e-01 3.10 8.504883863e-01 8.504883863e-01 3.12 8.547959665e-01 8.547959665e-01 3.14 8.536084684e-01 8.536084684e-01 3.16 8.474464399e-01 8.474464399e-01 3.18 8.368244588e-01 8.368244588e-01 3.20 8.222452065e-01 8.222452065e-01 3.22 8.041947243e-01 8.041947243e-01 3.24 7.831387055e-01 7.831387055e-01 3.26 7.595196912e-01 7.595196912e-01 3.28 7.337550349e-01 7.337550349e-01 3.30 7.062355399e-01 7.062355399e-01 3.32 6.773246629e-01 6.773246629e-01 3.34 6.473581925e-01 6.473581925e-01 3.36 6.166443367e-01 6.166443367e-01 3.38 5.854641374e-01 5.854641374e-01 3.40 5.540721548e-01 5.540721548e-01 3.42 5.226973760e-01 5.226973760e-01 3.44 4.915442865e-01 4.915442865e-01 3.46 4.607940757e-01 4.607940757e-01 3.48 4.306059398e-01 4.306059398e-01 3.50 4.011184431e-01 4.011184431e-01 3.52 3.724509256e-01 3.724509256e-01 3.54 3.447049270e-01 3.447049270e-01 3.56 3.179656085e-01 3.179656085e-01 3.58 2.923031669e-01 2.923031669e-01 3.60 2.677742207e-01 2.677742207e-01 3.62 2.444231633e-01 2.444231633e-01 3.64 2.222834815e-01 2.222834815e-01 3.66 2.013790279e-01 2.013790279e-01 3.68 1.817252533e-01 1.817252533e-01 3.70 1.633303981e-01 1.633303981e-01 3.72 1.461966447e-01 1.461966447e-01 3.74 1.303212407e-01 1.303212407e-01 3.76 1.156976019e-01 1.156976019e-01 3.78 1.023164064e-01 1.023164064e-01 3.80 9.016670393e-02 9.016670393e-02 3.82 7.923706274e-02 7.923706274e-02 3.84 6.951679218e-02 6.951679218e-02 3.86 6.099729388e-02 6.099729388e-02 3.88 5.367361361e-02 5.367361361e-02 3.90 4.754630517e-02 4.754630517e-02 3.92 4.262377126e-02 4.262377126e-02 3.94 3.892534016e-02 3.892534016e-02 3.96 3.648549774e-02 3.648549774e-02 3.98 3.535998280e-02 3.535998280e-02 4.00 3.563517425e-02 3.563517425e-02 4.02 3.744318014e-02 3.744318014e-02 4.04 4.098649281e-02 4.098649281e-02 4.06 4.658262981e-02 4.658262981e-02 4.08 5.475344411e-02 5.475344411e-02 4.10 6.642825945e-02 6.642825945e-02 4.12 8.350542699e-02 8.350542699e-02 4.14 1.110503170e-01 1.110503170e-01 4.16 1.831866863e-01 1.831866863e-01 4.18 2.498021366e-01 2.498021366e-01 4.20 2.484749065e-01 2.484749065e-01 4.22 2.441234419e-01 2.441234419e-01 4.24 2.384073621e-01 2.384073621e-01 4.26 2.319531196e-01 2.319531196e-01 4.28 2.250785689e-01 2.250785689e-01 4.30 2.179703601e-01 2.179703601e-01 4.32 2.107480573e-01 2.107480573e-01 4.34 2.034926896e-01 2.034926896e-01 4.36 1.962612951e-01 1.962612951e-01 4.38 1.890950671e-01 1.890950671e-01 4.40 1.820242552e-01 1.820242552e-01 4.42 1.750712797e-01 1.750712797e-01 4.44 1.682528019e-01 1.682528019e-01 4.46 1.615811508e-01 1.615811508e-01 4.48 1.550653361e-01 1.550653361e-01 4.50 1.487117860e-01 1.487117860e-01 4.52 1.425248974e-01 1.425248974e-01 4.54 1.365074519e-01 1.365074519e-01 4.56 1.306609384e-01 1.306609384e-01 4.58 1.249858033e-01 1.249858033e-01 4.60 1.194816502e-01 1.194816502e-01 4.62 1.141473991e-01 1.141473991e-01 4.64 1.089814146e-01 1.089814146e-01 4.66 1.039816113e-01 1.039816113e-01 4.68 9.914553932e-02 9.914553932e-02 4.70 9.447045559e-02 9.447045559e-02 4.72 8.995338287e-02 8.995338287e-02 4.74 8.559115890e-02 8.559115890e-02 4.76 8.138047776e-02 8.138047776e-02 4.78 7.731792450e-02 7.731792450e-02 4.80 7.340000446e-02 7.340000446e-02 4.82 6.962316803e-02 6.962316803e-02 4.84 6.598383154e-02 6.598383154e-02 4.86 6.247839504e-02 6.247839504e-02 4.88 5.910325738e-02 5.910325738e-02 4.90 5.585482891e-02 5.585482891e-02 4.92 5.248725762e-02 5.248725762e-02 4.94 4.611099990e-02 4.611099990e-02 4.96 3.093867956e-02 3.093867956e-02 4.98 7.680947588e-03 7.680947588e-03 5.00 -6.690202374e-23 -6.690887376e-23 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