# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Bonny-G-Terentyev-D-Pasianot-R-C-et-al--Fe-Ni-Cr # implementation = 2011--Bonny-G--Fe-Ni-Cr--LAMMPS--ipr1 # composition = CrFe2Ni # 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 6.043580684e+03 6.043580684e+03 1.02 5.574957462e+03 5.574957462e+03 1.04 5.145643384e+03 5.145643384e+03 1.06 4.751896342e+03 4.751896342e+03 1.08 4.390136030e+03 4.390136030e+03 1.10 4.057191040e+03 4.057191040e+03 1.12 3.751349956e+03 3.751349956e+03 1.14 3.470223816e+03 3.470223816e+03 1.16 3.210891512e+03 3.210891512e+03 1.18 2.971409242e+03 2.971409242e+03 1.20 2.750116693e+03 2.750116693e+03 1.22 2.545152414e+03 2.545152414e+03 1.24 2.355011060e+03 2.355011060e+03 1.26 2.178391779e+03 2.178391779e+03 1.28 2.014119384e+03 2.014119384e+03 1.30 1.861173709e+03 1.861173709e+03 1.32 1.718634969e+03 1.718634969e+03 1.34 1.585893497e+03 1.585893497e+03 1.36 1.462666917e+03 1.462666917e+03 1.38 1.348509947e+03 1.348509947e+03 1.40 1.242411738e+03 1.242411738e+03 1.42 1.143369633e+03 1.143369633e+03 1.44 1.050743697e+03 1.050743697e+03 1.46 9.641434967e+02 9.641434967e+02 1.48 8.834393221e+02 8.834393221e+02 1.50 8.086082348e+02 8.086082348e+02 1.52 7.392483365e+02 7.392483365e+02 1.54 6.746917274e+02 6.746917274e+02 1.56 6.143900923e+02 6.143900923e+02 1.58 5.579945615e+02 5.579945615e+02 1.60 5.052646294e+02 5.052646294e+02 1.62 4.559598166e+02 4.559598166e+02 1.64 4.098360752e+02 4.098360752e+02 1.66 3.667304658e+02 3.667304658e+02 1.68 3.264898199e+02 3.264898199e+02 1.70 2.888892836e+02 2.888892836e+02 1.72 2.536781718e+02 2.536781718e+02 1.74 2.206439187e+02 2.206439187e+02 1.76 1.896224356e+02 1.896224356e+02 1.78 1.604779134e+02 1.604779134e+02 1.80 1.330952510e+02 1.330952510e+02 1.82 1.073809218e+02 1.073809218e+02 1.84 8.383002025e+01 8.383002025e+01 1.86 6.487534651e+01 6.487534651e+01 1.88 4.995094144e+01 4.995094144e+01 1.90 3.824108347e+01 3.824108347e+01 1.92 2.909319934e+01 2.909319934e+01 1.94 2.196124240e+01 2.196124240e+01 1.96 1.639170075e+01 1.639170075e+01 1.98 1.202770532e+01 1.202770532e+01 2.00 8.597185104e+00 8.597185104e+00 2.02 5.892306974e+00 5.892306974e+00 2.04 3.755197688e+00 3.755197688e+00 2.06 2.062406402e+00 2.062406402e+00 2.08 7.173134203e-01 7.173134203e-01 2.10 -3.549526826e-01 -3.549526826e-01 2.12 -1.211073939e+00 -1.211073939e+00 2.14 -1.894797187e+00 -1.894797187e+00 2.16 -2.439957023e+00 -2.439957023e+00 2.18 -2.873212575e+00 -2.873212575e+00 2.20 -3.216239889e+00 -3.216239889e+00 2.22 -3.485913033e+00 -3.485913033e+00 2.24 -3.694796019e+00 -3.694796019e+00 2.26 -3.852604895e+00 -3.852604895e+00 2.28 -3.967455061e+00 -3.967455061e+00 2.30 -4.047292836e+00 -4.047292836e+00 2.32 -4.100883706e+00 -4.100883706e+00 2.34 -4.137622110e+00 -4.137622110e+00 2.36 -4.165362028e+00 -4.165362028e+00 2.38 -4.187824527e+00 -4.187824527e+00 2.40 -4.204775591e+00 -4.204775591e+00 2.42 -4.214683603e+00 -4.214683603e+00 2.44 -4.216599745e+00 -4.216599745e+00 2.46 -4.210519059e+00 -4.210519059e+00 2.48 -4.197169597e+00 -4.197169597e+00 2.50 -4.177306910e+00 -4.177306910e+00 2.52 -4.151632855e+00 -4.151632855e+00 2.54 -4.120817535e+00 -4.120817535e+00 2.56 -4.085513927e+00 -4.085513927e+00 2.58 -4.046339956e+00 -4.046339956e+00 2.60 -4.003779409e+00 -4.003779409e+00 2.62 -3.958256486e+00 -3.958256486e+00 2.64 -3.910194552e+00 -3.910194552e+00 2.66 -3.860039539e+00 -3.860039539e+00 2.68 -3.808255283e+00 -3.808255283e+00 2.70 -3.755298549e+00 -3.755298549e+00 2.72 -3.701548063e+00 -3.701548063e+00 2.74 -3.647276703e+00 -3.647276703e+00 2.76 -3.592622445e+00 -3.592622445e+00 2.78 -3.537712993e+00 -3.537712993e+00 2.80 -3.482686146e+00 -3.482686146e+00 2.82 -3.427695229e+00 -3.427695229e+00 2.84 -3.372912641e+00 -3.372912641e+00 2.86 -3.318530247e+00 -3.318530247e+00 2.88 -3.264748450e+00 -3.264748450e+00 2.90 -3.211758806e+00 -3.211758806e+00 2.92 -3.159668199e+00 -3.159668199e+00 2.94 -3.108530629e+00 -3.108530629e+00 2.96 -3.058383876e+00 -3.058383876e+00 2.98 -3.009120292e+00 -3.009120292e+00 3.00 -2.960557944e+00 -2.960557944e+00 3.02 -2.912505595e+00 -2.912505595e+00 3.04 -2.864765499e+00 -2.864765499e+00 3.06 -2.817124268e+00 -2.817124268e+00 3.08 -2.769346273e+00 -2.769346273e+00 3.10 -2.721147827e+00 -2.721147827e+00 3.12 -2.672187954e+00 -2.672187954e+00 3.14 -2.622096243e+00 -2.622096243e+00 3.16 -2.570478790e+00 -2.570478790e+00 3.18 -2.516962348e+00 -2.516962348e+00 3.20 -2.461288445e+00 -2.461288445e+00 3.22 -2.403322716e+00 -2.403322716e+00 3.24 -2.343210327e+00 -2.343210327e+00 3.26 -2.281489077e+00 -2.281489077e+00 3.28 -2.219119585e+00 -2.219119585e+00 3.30 -2.157409144e+00 -2.157409144e+00 3.32 -2.097709850e+00 -2.097709850e+00 3.34 -2.040968115e+00 -2.040968115e+00 3.36 -1.987402498e+00 -1.987402498e+00 3.38 -1.936542742e+00 -1.936542742e+00 3.40 -1.887541863e+00 -1.887541863e+00 3.42 -1.839550727e+00 -1.839550727e+00 3.44 -1.791952691e+00 -1.791952691e+00 3.46 -1.744428478e+00 -1.744428478e+00 3.48 -1.696915596e+00 -1.696915596e+00 3.50 -1.649459789e+00 -1.649459789e+00 3.52 -1.602101354e+00 -1.602101354e+00 3.54 -1.554865484e+00 -1.554865484e+00 3.56 -1.507758619e+00 -1.507758619e+00 3.58 -1.460763974e+00 -1.460763974e+00 3.60 -1.413836318e+00 -1.413836318e+00 3.62 -1.366896414e+00 -1.366896414e+00 3.64 -1.319826016e+00 -1.319826016e+00 3.66 -1.272465508e+00 -1.272465508e+00 3.68 -1.224617934e+00 -1.224617934e+00 3.70 -1.176065863e+00 -1.176065863e+00 3.72 -1.126610441e+00 -1.126610441e+00 3.74 -1.076150809e+00 -1.076150809e+00 3.76 -1.024800606e+00 -1.024800606e+00 3.78 -9.730145032e-01 -9.730145032e-01 3.80 -9.217039551e-01 -9.217039551e-01 3.82 -8.721965518e-01 -8.721965518e-01 3.84 -8.260853335e-01 -8.260853335e-01 3.86 -7.849328343e-01 -7.849328343e-01 3.88 -7.498130839e-01 -7.498130839e-01 3.90 -7.209412253e-01 -7.209412253e-01 3.92 -6.976406750e-01 -6.976406750e-01 3.94 -6.786714736e-01 -6.786714736e-01 3.96 -6.626893934e-01 -6.626893934e-01 3.98 -6.485928788e-01 -6.485928788e-01 4.00 -6.356767154e-01 -6.356767154e-01 4.02 -6.236287854e-01 -6.236287854e-01 4.04 -6.123454502e-01 -6.123454502e-01 4.06 -6.017419112e-01 -6.017419112e-01 4.08 -5.917081579e-01 -5.917081579e-01 4.10 -5.821309485e-01 -5.821309485e-01 4.12 -5.728938781e-01 -5.728938781e-01 4.14 -5.638613063e-01 -5.638613063e-01 4.16 -5.549790106e-01 -5.549790106e-01 4.18 -5.462272759e-01 -5.462272759e-01 4.20 -5.375925024e-01 -5.375925024e-01 4.22 -5.290529838e-01 -5.290529838e-01 4.24 -5.206100351e-01 -5.206100351e-01 4.26 -5.122472478e-01 -5.122472478e-01 4.28 -5.039793824e-01 -5.039793824e-01 4.30 -4.957586224e-01 -4.957586224e-01 4.32 -4.874874609e-01 -4.874874609e-01 4.34 -4.790896571e-01 -4.790896571e-01 4.36 -4.705066385e-01 -4.705066385e-01 4.38 -4.616905522e-01 -4.616905522e-01 4.40 -4.526009281e-01 -4.526009281e-01 4.42 -4.432028381e-01 -4.432028381e-01 4.44 -4.334673557e-01 -4.334673557e-01 4.46 -4.233622391e-01 -4.233622391e-01 4.48 -4.128340874e-01 -4.128340874e-01 4.50 -4.018221828e-01 -4.018221828e-01 4.52 -3.902498396e-01 -3.902498396e-01 4.54 -3.780950371e-01 -3.780950371e-01 4.56 -3.653338872e-01 -3.653338872e-01 4.58 -3.519579906e-01 -3.519579906e-01 4.60 -3.380145541e-01 -3.380145541e-01 4.62 -3.236593572e-01 -3.236593572e-01 4.64 -3.092031598e-01 -3.092031598e-01 4.66 -2.951253527e-01 -2.951253527e-01 4.68 -2.819950659e-01 -2.819950659e-01 4.70 -2.703103209e-01 -2.703103209e-01 4.72 -2.603295511e-01 -2.603295511e-01 4.74 -2.519970071e-01 -2.519970071e-01 4.76 -2.450310931e-01 -2.450310931e-01 4.78 -2.390558226e-01 -2.390558226e-01 4.80 -2.337132395e-01 -2.337132395e-01 4.82 -2.287289491e-01 -2.287289491e-01 4.84 -2.239306647e-01 -2.239306647e-01 4.86 -2.191813951e-01 -2.191813951e-01 4.88 -2.144058874e-01 -2.144058874e-01 4.90 -2.096625109e-01 -2.096625109e-01 4.92 -2.049987591e-01 -2.049987591e-01 4.94 -2.004511029e-01 -2.004511029e-01 4.96 -1.960467700e-01 -1.960467700e-01 4.98 -1.918052600e-01 -1.918052600e-01 5.00 -1.877396348e-01 -1.877396348e-01 5.02 -1.838595472e-01 -1.838595472e-01 5.04 -1.802577893e-01 -1.802577893e-01 5.06 -1.768658007e-01 -1.768658007e-01 5.08 -1.735385368e-01 -1.735385368e-01 5.10 -1.701498631e-01 -1.701498631e-01 5.12 -1.665859844e-01 -1.665859844e-01 5.14 -1.627387959e-01 -1.627387959e-01 5.16 -1.584988659e-01 -1.584988659e-01 5.18 -1.537477812e-01 -1.537477812e-01 5.20 -1.483496862e-01 -1.483496862e-01 5.22 -1.421421501e-01 -1.421421501e-01 5.24 -1.349272139e-01 -1.349272139e-01 5.26 -1.264331721e-01 -1.264331721e-01 5.28 -1.164193837e-01 -1.164193837e-01 5.30 -1.049125411e-01 -1.049125411e-01 5.32 -9.205092309e-02 -9.205092309e-02 5.34 -7.814118046e-02 -7.814118046e-02 5.36 -6.371102111e-02 -6.371102111e-02 5.38 -4.950162580e-02 -4.950162580e-02 5.40 -3.636146740e-02 -3.636146740e-02 5.42 -2.505312068e-02 -2.505312068e-02 5.44 -1.605615369e-02 -1.605615369e-02 5.46 -9.470603311e-03 -9.470603311e-03 5.48 -5.060134685e-03 -5.060134685e-03 5.50 -2.385140492e-03 -2.385140492e-03 5.52 -9.462209700e-04 -9.462209700e-04 5.54 -2.882309850e-04 -2.882309850e-04 5.56 -5.462118422e-05 -5.462118422e-05 5.58 -3.269832735e-06 -3.269832735e-06 5.60 -1.842463016e-11 -1.841032567e-11 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 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