# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn # implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--LAMMPS--ipr1 # composition = CuFeMn2 # 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 2024-01-04 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 1.020999587e+03 1.020999587e+03 1.00 9.511452010e+02 9.511452010e+02 1.02 8.868545496e+02 8.868545496e+02 1.04 8.273479536e+02 8.273479536e+02 1.06 7.718887990e+02 7.718887990e+02 1.08 7.200591263e+02 7.200591263e+02 1.10 6.715590444e+02 6.715590444e+02 1.12 6.260885184e+02 6.260885184e+02 1.14 5.834075975e+02 5.834075975e+02 1.16 5.432897954e+02 5.432897954e+02 1.18 5.055013059e+02 5.055013059e+02 1.20 4.698354059e+02 4.698354059e+02 1.22 4.361405498e+02 4.361405498e+02 1.24 4.043039789e+02 4.043039789e+02 1.26 3.742307536e+02 3.742307536e+02 1.28 3.458544237e+02 3.458544237e+02 1.30 3.190909211e+02 3.190909211e+02 1.32 2.938215438e+02 2.938215438e+02 1.34 2.699407356e+02 2.699407356e+02 1.36 2.473950293e+02 2.473950293e+02 1.38 2.261625424e+02 2.261625424e+02 1.40 2.062346731e+02 2.062346731e+02 1.42 1.876016162e+02 1.876016162e+02 1.44 1.702311692e+02 1.702311692e+02 1.46 1.540723315e+02 1.540723315e+02 1.48 1.390608404e+02 1.390608404e+02 1.50 1.251320798e+02 1.251320798e+02 1.52 1.122400924e+02 1.122400924e+02 1.54 1.003428929e+02 1.003428929e+02 1.56 8.940114414e+01 8.940114414e+01 1.58 7.937463300e+01 7.937463300e+01 1.60 7.021230643e+01 7.021230643e+01 1.62 6.186365114e+01 6.186365114e+01 1.64 5.427919983e+01 5.427919983e+01 1.66 4.740768506e+01 4.740768506e+01 1.68 4.119925093e+01 4.119925093e+01 1.70 3.560664265e+01 3.560664265e+01 1.72 3.058201085e+01 3.058201085e+01 1.74 2.607668607e+01 2.607668607e+01 1.76 2.205250146e+01 2.205250146e+01 1.78 1.848262219e+01 1.848262219e+01 1.80 1.533939197e+01 1.533939197e+01 1.82 1.259465045e+01 1.259465045e+01 1.84 1.021861071e+01 1.021861071e+01 1.86 8.179027508e+00 8.179027508e+00 1.88 6.442896373e+00 6.442896373e+00 1.90 4.977963166e+00 4.977963166e+00 1.92 3.753409908e+00 3.753409908e+00 1.94 2.736005611e+00 2.736005611e+00 1.96 1.892297516e+00 1.892297516e+00 1.98 1.189127484e+00 1.189127484e+00 2.00 5.933830430e-01 5.933830430e-01 2.02 7.462381160e-02 7.462381160e-02 2.04 -3.832870790e-01 -3.832870790e-01 2.06 -7.901236697e-01 -7.901236697e-01 2.08 -1.152264672e+00 -1.152264672e+00 2.10 -1.474886344e+00 -1.474886344e+00 2.12 -1.761463277e+00 -1.761463277e+00 2.14 -2.014036899e+00 -2.014036899e+00 2.16 -2.233999352e+00 -2.233999352e+00 2.18 -2.422660579e+00 -2.422660579e+00 2.20 -2.581033104e+00 -2.581033104e+00 2.22 -2.710247186e+00 -2.710247186e+00 2.24 -2.812431756e+00 -2.812431756e+00 2.26 -2.892036229e+00 -2.892036229e+00 2.28 -2.954195517e+00 -2.954195517e+00 2.30 -3.004334449e+00 -3.004334449e+00 2.32 -3.047459488e+00 -3.047459488e+00 2.34 -3.086239108e+00 -3.086239108e+00 2.36 -3.121890362e+00 -3.121890362e+00 2.38 -3.153826719e+00 -3.153826719e+00 2.40 -3.181225623e+00 -3.181225623e+00 2.42 -3.203243762e+00 -3.203243762e+00 2.44 -3.219003902e+00 -3.219003902e+00 2.46 -3.227636044e+00 -3.227636044e+00 2.48 -3.228922471e+00 -3.228922471e+00 2.50 -3.223264850e+00 -3.223264850e+00 2.52 -3.211263047e+00 -3.211263047e+00 2.54 -3.193662271e+00 -3.193662271e+00 2.56 -3.171182110e+00 -3.171182110e+00 2.58 -3.144532213e+00 -3.144532213e+00 2.60 -3.114388915e+00 -3.114388915e+00 2.62 -3.081390753e+00 -3.081390753e+00 2.64 -3.046176191e+00 -3.046176191e+00 2.66 -3.009410799e+00 -3.009410799e+00 2.68 -2.971401085e+00 -2.971401085e+00 2.70 -2.931939625e+00 -2.931939625e+00 2.72 -2.890853989e+00 -2.890853989e+00 2.74 -2.848018452e+00 -2.848018452e+00 2.76 -2.803338098e+00 -2.803338098e+00 2.78 -2.756733942e+00 -2.756733942e+00 2.80 -2.708130812e+00 -2.708130812e+00 2.82 -2.657450059e+00 -2.657450059e+00 2.84 -2.604744792e+00 -2.604744792e+00 2.86 -2.550315515e+00 -2.550315515e+00 2.88 -2.494473835e+00 -2.494473835e+00 2.90 -2.437441408e+00 -2.437441408e+00 2.92 -2.379294528e+00 -2.379294528e+00 2.94 -2.320085785e+00 -2.320085785e+00 2.96 -2.259845076e+00 -2.259845076e+00 2.98 -2.198500799e+00 -2.198500799e+00 3.00 -2.135883320e+00 -2.135883320e+00 3.02 -2.071865016e+00 -2.071865016e+00 3.04 -2.006439283e+00 -2.006439283e+00 3.06 -1.939609929e+00 -1.939609929e+00 3.08 -1.871390150e+00 -1.871390150e+00 3.10 -1.801805014e+00 -1.801805014e+00 3.12 -1.730909152e+00 -1.730909152e+00 3.14 -1.658774566e+00 -1.658774566e+00 3.16 -1.585590039e+00 -1.585590039e+00 3.18 -1.511949917e+00 -1.511949917e+00 3.20 -1.438546380e+00 -1.438546380e+00 3.22 -1.366079740e+00 -1.366079740e+00 3.24 -1.295258307e+00 -1.295258307e+00 3.26 -1.226797428e+00 -1.226797428e+00 3.28 -1.161438247e+00 -1.161438247e+00 3.30 -1.099976665e+00 -1.099976665e+00 3.32 -1.043151907e+00 -1.043151907e+00 3.34 -9.911106686e-01 -9.911106686e-01 3.36 -9.435033980e-01 -9.435033980e-01 3.38 -8.999353221e-01 -8.999353221e-01 3.40 -8.600014633e-01 -8.600014633e-01 3.42 -8.232869038e-01 -8.232869038e-01 3.44 -7.893667272e-01 -7.893667272e-01 3.46 -7.578055623e-01 -7.578055623e-01 3.48 -7.281786344e-01 -7.281786344e-01 3.50 -7.002111445e-01 -7.002111445e-01 3.52 -6.736922404e-01 -6.736922404e-01 3.54 -6.484029135e-01 -6.484029135e-01 3.56 -6.241162191e-01 -6.241162191e-01 3.58 -6.005980097e-01 -6.005980097e-01 3.60 -5.776118633e-01 -5.776118633e-01 3.62 -5.549206121e-01 -5.549206121e-01 3.64 -5.322818063e-01 -5.322818063e-01 3.66 -5.094939179e-01 -5.094939179e-01 3.68 -4.866081126e-01 -4.866081126e-01 3.70 -4.637658524e-01 -4.637658524e-01 3.72 -4.411056164e-01 -4.411056164e-01 3.74 -4.187596295e-01 -4.187596295e-01 3.76 -3.968519475e-01 -3.968519475e-01 3.78 -3.755041650e-01 -3.755041650e-01 3.80 -3.548246647e-01 -3.548246647e-01 3.82 -3.349307498e-01 -3.349307498e-01 3.84 -3.159213087e-01 -3.159213087e-01 3.86 -2.978928129e-01 -2.978928129e-01 3.88 -2.809432279e-01 -2.809432279e-01 3.90 -2.650942916e-01 -2.650942916e-01 3.92 -2.503293988e-01 -2.503293988e-01 3.94 -2.367347004e-01 -2.367347004e-01 3.96 -2.243345944e-01 -2.243345944e-01 3.98 -2.131127172e-01 -2.131127172e-01 4.00 -2.029823792e-01 -2.029823792e-01 4.02 -1.938545676e-01 -1.938545676e-01 4.04 -1.856159210e-01 -1.856159210e-01 4.06 -1.780809276e-01 -1.780809276e-01 4.08 -1.710915478e-01 -1.710915478e-01 4.10 -1.645099783e-01 -1.645099783e-01 4.12 -1.582148810e-01 -1.582148810e-01 4.14 -1.520999847e-01 -1.520999847e-01 4.16 -1.460698658e-01 -1.460698658e-01 4.18 -1.400377436e-01 -1.400377436e-01 4.20 -1.339097845e-01 -1.339097845e-01 4.22 -1.276263153e-01 -1.276263153e-01 4.24 -1.212597923e-01 -1.212597923e-01 4.26 -1.148868031e-01 -1.148868031e-01 4.28 -1.085745153e-01 -1.085745153e-01 4.30 -1.023827447e-01 -1.023827447e-01 4.32 -9.634137059e-02 -9.634137059e-02 4.34 -9.050930111e-02 -9.050930111e-02 4.36 -8.496760024e-02 -8.496760024e-02 4.38 -7.978044082e-02 -7.978044082e-02 4.40 -7.499658956e-02 -7.499658956e-02 4.42 -7.064993653e-02 -7.064993653e-02 4.44 -6.675842115e-02 -6.675842115e-02 4.46 -6.332385581e-02 -6.332385581e-02 4.48 -6.034628413e-02 -6.034628413e-02 4.50 -5.781090234e-02 -5.781090234e-02 4.52 -5.563526692e-02 -5.563526692e-02 4.54 -5.373759144e-02 -5.373759144e-02 4.56 -5.204175724e-02 -5.204175724e-02 4.58 -5.048074782e-02 -5.048074782e-02 4.60 -4.899880126e-02 -4.899880126e-02 4.62 -4.754906921e-02 -4.754906921e-02 4.64 -4.609337105e-02 -4.609337105e-02 4.66 -4.460177153e-02 -4.460177153e-02 4.68 -4.305182981e-02 -4.305182981e-02 4.70 -4.142765145e-02 -4.142765145e-02 4.72 -3.971871571e-02 -3.971871571e-02 4.74 -3.790857577e-02 -3.790857577e-02 4.76 -3.600779128e-02 -3.600779128e-02 4.78 -3.404035870e-02 -3.404035870e-02 4.80 -3.202771134e-02 -3.202771134e-02 4.82 -2.998838462e-02 -2.998838462e-02 4.84 -2.793839935e-02 -2.793839935e-02 4.86 -2.589181960e-02 -2.589181960e-02 4.88 -2.386125840e-02 -2.386125840e-02 4.90 -2.185832692e-02 -2.185832692e-02 4.92 -1.989401968e-02 -1.989401968e-02 4.94 -1.797902358e-02 -1.797902358e-02 4.96 -1.612393378e-02 -1.612393378e-02 4.98 -1.433935724e-02 -1.433935724e-02 5.00 -1.263588597e-02 -1.263588597e-02 5.02 -1.102392842e-02 -1.102392842e-02 5.04 -9.513400683e-03 -9.513400683e-03 5.06 -8.113297386e-03 -8.113297386e-03 5.08 -6.831184324e-03 -6.831184324e-03 5.10 -5.672674872e-03 -5.672674872e-03 5.12 -4.640964842e-03 -4.640964842e-03 5.14 -3.736500152e-03 -3.736500152e-03 5.16 -2.956836321e-03 -2.956836321e-03 5.18 -2.296720605e-03 -2.296720605e-03 5.20 -1.748392805e-03 -1.748392805e-03 5.22 -1.302067651e-03 -1.302067651e-03 5.24 -9.465373548e-04 -9.465373548e-04 5.26 -6.698218805e-04 -6.698218805e-04 5.28 -4.597969241e-04 -4.597969241e-04 5.30 -3.047429601e-04 -3.047429601e-04 5.32 -1.937783657e-04 -1.937783657e-04 5.34 -1.171607374e-04 -1.171607374e-04 5.36 -6.645905723e-05 -6.645905723e-05 5.38 -3.461287322e-05 -3.461287322e-05 5.40 -1.590229932e-05 -1.590229932e-05 5.42 -5.854964943e-06 -5.854964943e-06 5.44 -1.114377839e-06 -1.114377839e-06 5.46 7.099053884e-07 7.099053884e-07 5.48 1.194969435e-06 1.194969435e-06 5.50 1.249784741e-06 1.249784741e-06 5.52 1.250000000e-06 1.250000000e-06 5.54 1.250000000e-06 1.250000000e-06 5.56 1.250000000e-06 1.250000000e-06 5.58 1.250000000e-06 1.250000000e-06 5.60 1.250000000e-06 1.250000000e-06 5.62 1.250000000e-06 1.250000000e-06 5.64 1.250000000e-06 1.250000000e-06 5.66 1.250000000e-06 1.250000000e-06 5.68 1.250000000e-06 1.250000000e-06 5.70 1.250000000e-06 1.250000000e-06 5.72 1.250000000e-06 1.250000000e-06 5.74 1.250000000e-06 1.250000000e-06 5.76 1.250000000e-06 1.250000000e-06 5.78 1.250000000e-06 1.250000000e-06 5.80 1.250000000e-06 1.250000000e-06 5.82 1.250000000e-06 1.250000000e-06 5.84 1.250000000e-06 1.250000000e-06 5.86 1.250000000e-06 1.250000000e-06 5.88 1.250000000e-06 1.250000000e-06 5.90 1.250000000e-06 1.250000000e-06 5.92 1.250000000e-06 1.250000000e-06 5.94 1.250000000e-06 1.250000000e-06 5.96 1.250000000e-06 1.250000000e-06 5.98 1.250000000e-06 1.250000000e-06 6.00 1.250000000e-06 1.250000000e-06