# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Castin-N-Terentyev-D--Fe-Ni-Cr # implementation = EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000 # composition = Cr2FeNi # 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 nan nan 1.30 nan nan 1.32 nan nan 1.34 nan nan 1.36 nan nan 1.38 nan nan 1.40 7.075876549e+02 7.075876549e+02 1.42 6.172036361e+02 6.172036361e+02 1.44 5.391811191e+02 5.391811191e+02 1.46 4.715951776e+02 4.715951776e+02 1.48 4.128498713e+02 4.128498713e+02 1.50 3.616332203e+02 3.616332203e+02 1.52 3.168682277e+02 3.168682277e+02 1.54 2.776534144e+02 2.776534144e+02 1.56 2.432466559e+02 2.432466559e+02 1.58 2.130264360e+02 2.130264360e+02 1.60 1.864651939e+02 1.864651939e+02 1.62 1.631096188e+02 1.631096188e+02 1.64 1.425700704e+02 1.425700704e+02 1.66 1.245105890e+02 1.245105890e+02 1.68 1.086372410e+02 1.086372410e+02 1.70 9.469108352e+01 9.469108352e+01 1.72 8.244210684e+01 8.244210684e+01 1.74 7.168599569e+01 7.168599569e+01 1.76 6.224471295e+01 6.224471295e+01 1.78 5.396293913e+01 5.396293913e+01 1.80 4.670206086e+01 4.670206086e+01 1.82 4.034201709e+01 4.034201709e+01 1.84 3.479038637e+01 3.479038637e+01 1.86 2.997497585e+01 2.997497585e+01 1.88 2.583477498e+01 2.583477498e+01 1.90 2.230544311e+01 2.230544311e+01 1.92 1.931884645e+01 1.931884645e+01 1.94 1.674682589e+01 1.674682589e+01 1.96 1.443754216e+01 1.443754216e+01 1.98 1.231576284e+01 1.231576284e+01 2.00 1.036425387e+01 1.036425387e+01 2.02 8.571331374e+00 8.571331374e+00 2.04 6.931269781e+00 6.931269781e+00 2.06 5.441496445e+00 5.441496445e+00 2.08 4.100450653e+00 4.100450653e+00 2.10 2.907304084e+00 2.907304084e+00 2.12 1.859867132e+00 1.859867132e+00 2.14 9.487317213e-01 9.487317213e-01 2.16 1.624136979e-01 1.624136979e-01 2.18 -5.121200580e-01 -5.121200580e-01 2.20 -1.088275447e+00 -1.088275447e+00 2.22 -1.579152682e+00 -1.579152682e+00 2.24 -1.997601168e+00 -1.997601168e+00 2.26 -2.356295938e+00 -2.356295938e+00 2.28 -2.667685073e+00 -2.667685073e+00 2.30 -2.941306082e+00 -2.941306082e+00 2.32 -3.178027963e+00 -3.178027963e+00 2.34 -3.379502202e+00 -3.379502202e+00 2.36 -3.547774623e+00 -3.547774623e+00 2.38 -3.684284747e+00 -3.684284747e+00 2.40 -3.790213253e+00 -3.790213253e+00 2.42 -3.867277393e+00 -3.867277393e+00 2.44 -3.919566563e+00 -3.919566563e+00 2.46 -3.951726408e+00 -3.951726408e+00 2.48 -3.968357767e+00 -3.968357767e+00 2.50 -3.974022710e+00 -3.974022710e+00 2.52 -3.972598143e+00 -3.972598143e+00 2.54 -3.965429669e+00 -3.965429669e+00 2.56 -3.953291245e+00 -3.953291245e+00 2.58 -3.936870612e+00 -3.936870612e+00 2.60 -3.916842166e+00 -3.916842166e+00 2.62 -3.893932646e+00 -3.893932646e+00 2.64 -3.868741896e+00 -3.868741896e+00 2.66 -3.841396946e+00 -3.841396946e+00 2.68 -3.811965951e+00 -3.811965951e+00 2.70 -3.780516055e+00 -3.780516055e+00 2.72 -3.747112366e+00 -3.747112366e+00 2.74 -3.711817130e+00 -3.711817130e+00 2.76 -3.674690185e+00 -3.674690185e+00 2.78 -3.635789147e+00 -3.635789147e+00 2.80 -3.595169921e+00 -3.595169921e+00 2.82 -3.552915777e+00 -3.552915777e+00 2.84 -3.509223648e+00 -3.509223648e+00 2.86 -3.464318412e+00 -3.464318412e+00 2.88 -3.418380327e+00 -3.418380327e+00 2.90 -3.371463049e+00 -3.371463049e+00 2.92 -3.323597718e+00 -3.323597718e+00 2.94 -3.274896282e+00 -3.274896282e+00 2.96 -3.225537210e+00 -3.225537210e+00 2.98 -3.175699690e+00 -3.175699690e+00 3.00 -3.125564331e+00 -3.125564331e+00 3.02 -3.075327518e+00 -3.075327518e+00 3.04 -3.025194330e+00 -3.025194330e+00 3.06 -2.975369365e+00 -2.975369365e+00 3.08 -2.926020750e+00 -2.926020750e+00 3.10 -2.877172836e+00 -2.877172836e+00 3.12 -2.828813065e+00 -2.828813065e+00 3.14 -2.780934071e+00 -2.780934071e+00 3.16 -2.733569864e+00 -2.733569864e+00 3.18 -2.686771100e+00 -2.686771100e+00 3.20 -2.640600003e+00 -2.640600003e+00 3.22 -2.595134567e+00 -2.595134567e+00 3.24 -2.550449658e+00 -2.550449658e+00 3.26 -2.506532893e+00 -2.506532893e+00 3.28 -2.463294959e+00 -2.463294959e+00 3.30 -2.420643375e+00 -2.420643375e+00 3.32 -2.378458832e+00 -2.378458832e+00 3.34 -2.336586356e+00 -2.336586356e+00 3.36 -2.294848055e+00 -2.294848055e+00 3.38 -2.253084421e+00 -2.253084421e+00 3.40 -2.211197961e+00 -2.211197961e+00 3.42 -2.169101267e+00 -2.169101267e+00 3.44 -2.126706904e+00 -2.126706904e+00 3.46 -2.083927322e+00 -2.083927322e+00 3.48 -2.040674767e+00 -2.040674767e+00 3.50 -1.996861171e+00 -1.996861171e+00 3.52 -1.952398047e+00 -1.952398047e+00 3.54 -1.907196363e+00 -1.907196363e+00 3.56 -1.861167599e+00 -1.861167599e+00 3.58 -1.814255174e+00 -1.814255174e+00 3.60 -1.766479252e+00 -1.766479252e+00 3.62 -1.718025783e+00 -1.718025783e+00 3.64 -1.669122057e+00 -1.669122057e+00 3.66 -1.619995779e+00 -1.619995779e+00 3.68 -1.570878474e+00 -1.570878474e+00 3.70 -1.522039026e+00 -1.522039026e+00 3.72 -1.473768894e+00 -1.473768894e+00 3.74 -1.426356013e+00 -1.426356013e+00 3.76 -1.380022753e+00 -1.380022753e+00 3.78 -1.334936951e+00 -1.334936951e+00 3.80 -1.291264501e+00 -1.291264501e+00 3.82 -1.249170850e+00 -1.249170850e+00 3.84 -1.208820838e+00 -1.208820838e+00 3.86 -1.170334813e+00 -1.170334813e+00 3.88 -1.133657336e+00 -1.133657336e+00 3.90 -1.098688085e+00 -1.098688085e+00 3.92 -1.065325267e+00 -1.065325267e+00 3.94 -1.033465412e+00 -1.033465412e+00 3.96 -1.003003084e+00 -1.003003084e+00 3.98 -9.738305488e-01 -9.738305488e-01 4.00 -9.458374850e-01 -9.458374850e-01 4.02 -9.189106352e-01 -9.189106352e-01 4.04 -8.929334156e-01 -8.929334156e-01 4.06 -8.677809891e-01 -8.677809891e-01 4.08 -8.433017743e-01 -8.433017743e-01 4.10 -8.193325547e-01 -8.193325547e-01 4.12 -7.957339000e-01 -7.957339000e-01 4.14 -7.724782070e-01 -7.724782070e-01 4.16 -7.495657110e-01 -7.495657110e-01 4.18 -7.269962306e-01 -7.269962306e-01 4.20 -7.047685066e-01 -7.047685066e-01 4.22 -6.828799077e-01 -6.828799077e-01 4.24 -6.613277294e-01 -6.613277294e-01 4.26 -6.401060264e-01 -6.401060264e-01 4.28 -6.192097220e-01 -6.192097220e-01 4.30 -5.986285395e-01 -5.986285395e-01 4.32 -5.783544064e-01 -5.783544064e-01 4.34 -5.583706890e-01 -5.583706890e-01 4.36 -5.386649101e-01 -5.386649101e-01 4.38 -5.192156723e-01 -5.192156723e-01 4.40 -4.999962557e-01 -4.999962557e-01 4.42 -4.809888299e-01 -4.809888299e-01 4.44 -4.621569869e-01 -4.621569869e-01 4.46 -4.434976002e-01 -4.434976002e-01 4.48 -4.250382827e-01 -4.250382827e-01 4.50 -4.067060367e-01 -4.067060367e-01 4.52 -3.883436844e-01 -3.883436844e-01 4.54 -3.702439981e-01 -3.702439981e-01 4.56 -3.526713234e-01 -3.526713234e-01 4.58 -3.358070174e-01 -3.358070174e-01 4.60 -3.196237834e-01 -3.196237834e-01 4.62 -3.039613553e-01 -3.039613553e-01 4.64 -2.886193225e-01 -2.886193225e-01 4.66 -2.736525217e-01 -2.736525217e-01 4.68 -2.577443602e-01 -2.577443602e-01 4.70 -2.396650507e-01 -2.396650507e-01 4.72 -2.189197307e-01 -2.189197307e-01 4.74 -1.958966607e-01 -1.958966607e-01 4.76 -1.714775893e-01 -1.714775893e-01 4.78 -1.472076863e-01 -1.472076863e-01 4.80 -1.242154676e-01 -1.242154676e-01 4.82 -1.031585055e-01 -1.031585055e-01 4.84 -8.436319030e-02 -8.436319030e-02 4.86 -6.793111475e-02 -6.793111475e-02 4.88 -5.381823352e-02 -5.381823352e-02 4.90 -4.189215398e-02 -4.189215398e-02 4.92 -3.197217737e-02 -3.197217737e-02 4.94 -2.385602469e-02 -2.385602469e-02 4.96 -1.733655412e-02 -1.733655412e-02 4.98 -1.221120359e-02 -1.221120359e-02 5.00 -8.286374957e-03 -8.286374957e-03 5.02 -5.378514090e-03 -5.378514090e-03 5.04 -3.313234477e-03 -3.313234477e-03 5.06 -1.923480752e-03 -1.923480752e-03 5.08 -1.047432590e-03 -1.047432590e-03 5.10 -5.266089021e-04 -5.266089021e-04 5.12 -2.219834692e-04 -2.219834692e-04 5.14 -6.574543238e-05 -6.574543238e-05 5.16 -8.216912639e-06 -8.216912639e-06 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