# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Maisel-S-B-Ko-W-S-Zhang-J-L-et-al--V-Ni-Ti # implementation = 2017--Maisel-S-B--V-Ni-Ti--LAMMPS--ipr1 # composition = NiTi2V # 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 2.709321478e+02 2.709321478e+02 1.00 2.559424878e+02 2.559424878e+02 1.02 2.417114443e+02 2.417114443e+02 1.04 2.282026048e+02 2.282026048e+02 1.06 2.153812182e+02 2.153812182e+02 1.08 2.032141246e+02 2.032141246e+02 1.10 1.916696874e+02 1.916696874e+02 1.12 1.807177283e+02 1.807177283e+02 1.14 1.703294645e+02 1.703294645e+02 1.16 1.604774482e+02 1.604774482e+02 1.18 1.511355085e+02 1.511355085e+02 1.20 1.422786956e+02 1.422786956e+02 1.22 1.338832267e+02 1.338832267e+02 1.24 1.259264349e+02 1.259264349e+02 1.26 1.183867192e+02 1.183867192e+02 1.28 1.112434975e+02 1.112434975e+02 1.30 1.044771603e+02 1.044771603e+02 1.32 9.806902743e+01 9.806902743e+01 1.34 9.200130588e+01 9.200130588e+01 1.36 8.625704975e+01 8.625704975e+01 1.38 8.082012161e+01 8.082012161e+01 1.40 7.567515566e+01 7.567515566e+01 1.42 7.080752242e+01 7.080752242e+01 1.44 6.620329489e+01 6.620329489e+01 1.46 6.184921619e+01 6.184921619e+01 1.48 5.773266864e+01 5.773266864e+01 1.50 5.384164412e+01 5.384164412e+01 1.52 5.016471576e+01 5.016471576e+01 1.54 4.669101086e+01 4.669101086e+01 1.56 4.341018503e+01 4.341018503e+01 1.58 4.031239746e+01 4.031239746e+01 1.60 3.738828726e+01 3.738828726e+01 1.62 3.462895092e+01 3.462895092e+01 1.64 3.202592073e+01 3.202592073e+01 1.66 2.957114420e+01 2.957114420e+01 1.68 2.725696442e+01 2.725696442e+01 1.70 2.507610125e+01 2.507610125e+01 1.72 2.302163342e+01 2.302163342e+01 1.74 2.108698148e+01 2.108698148e+01 1.76 1.926589143e+01 1.926589143e+01 1.78 1.755241917e+01 1.755241917e+01 1.80 1.594091568e+01 1.594091568e+01 1.82 1.442601284e+01 1.442601284e+01 1.84 1.300260990e+01 1.300260990e+01 1.86 1.166586066e+01 1.166586066e+01 1.88 1.041116113e+01 1.041116113e+01 1.90 9.234137849e+00 9.234137849e+00 1.92 8.130636745e+00 8.130636745e+00 1.94 7.096712456e+00 7.096712456e+00 1.96 6.128618224e+00 6.128618224e+00 1.98 5.222796222e+00 5.222796222e+00 2.00 4.375868342e+00 4.375868342e+00 2.02 3.584627439e+00 3.584627439e+00 2.04 2.846028962e+00 2.846028962e+00 2.06 2.157182998e+00 2.157182998e+00 2.08 1.515346694e+00 1.515346694e+00 2.10 9.179170247e-01 9.179170247e-01 2.12 3.624239231e-01 3.624239231e-01 2.14 -1.534762704e-01 -1.534762704e-01 2.16 -6.320070509e-01 -6.320070509e-01 2.18 -1.075277680e+00 -1.075277680e+00 2.20 -1.485288846e+00 -1.485288846e+00 2.22 -1.863938046e+00 -1.863938046e+00 2.24 -2.213024709e+00 -2.213024709e+00 2.26 -2.534255074e+00 -2.534255074e+00 2.28 -2.829246840e+00 -2.829246840e+00 2.30 -3.099533577e+00 -3.099533577e+00 2.32 -3.346568940e+00 -3.346568940e+00 2.34 -3.571730674e+00 -3.571730674e+00 2.36 -3.776324416e+00 -3.776324416e+00 2.38 -3.961587338e+00 -3.961587338e+00 2.40 -4.128691584e+00 -4.128691584e+00 2.42 -4.278747565e+00 -4.278747565e+00 2.44 -4.412807084e+00 -4.412807084e+00 2.46 -4.531866309e+00 -4.531866309e+00 2.48 -4.636868610e+00 -4.636868610e+00 2.50 -4.728707254e+00 -4.728707254e+00 2.52 -4.808227969e+00 -4.808227969e+00 2.54 -4.876231390e+00 -4.876231390e+00 2.56 -4.933475381e+00 -4.933475381e+00 2.58 -4.980677250e+00 -4.980677250e+00 2.60 -5.018515858e+00 -5.018515858e+00 2.62 -5.047633623e+00 -5.047633623e+00 2.64 -5.068638426e+00 -5.068638426e+00 2.66 -5.082105435e+00 -5.082105435e+00 2.68 -5.088578824e+00 -5.088578824e+00 2.70 -5.088573425e+00 -5.088573425e+00 2.72 -5.082576279e+00 -5.082576279e+00 2.74 -5.071048122e+00 -5.071048122e+00 2.76 -5.054424785e+00 -5.054424785e+00 2.78 -5.033118511e+00 -5.033118511e+00 2.80 -5.007519199e+00 -5.007519199e+00 2.82 -4.977995563e+00 -4.977995563e+00 2.84 -4.944896202e+00 -4.944896202e+00 2.86 -4.908550579e+00 -4.908550579e+00 2.88 -4.869269899e+00 -4.869269899e+00 2.90 -4.827347876e+00 -4.827347876e+00 2.92 -4.783061366e+00 -4.783061366e+00 2.94 -4.736670866e+00 -4.736670866e+00 2.96 -4.688420844e+00 -4.688420844e+00 2.98 -4.638539884e+00 -4.638539884e+00 3.00 -4.587240630e+00 -4.587240630e+00 3.02 -4.534868432e+00 -4.534868432e+00 3.04 -4.483466644e+00 -4.483466644e+00 3.06 -4.433905248e+00 -4.433905248e+00 3.08 -4.378740532e+00 -4.378740532e+00 3.10 -4.322857175e+00 -4.322857175e+00 3.12 -4.266455725e+00 -4.266455725e+00 3.14 -4.209616259e+00 -4.209616259e+00 3.16 -4.152395128e+00 -4.152395128e+00 3.18 -4.094824087e+00 -4.094824087e+00 3.20 -4.036910062e+00 -4.036910062e+00 3.22 -3.978635829e+00 -3.978635829e+00 3.24 -3.919961923e+00 -3.919961923e+00 3.26 -3.860830024e+00 -3.860830024e+00 3.28 -3.801167948e+00 -3.801167948e+00 3.30 -3.740896249e+00 -3.740896249e+00 3.32 -3.679936195e+00 -3.679936195e+00 3.34 -3.618218645e+00 -3.618218645e+00 3.36 -3.555693174e+00 -3.555693174e+00 3.38 -3.492336629e+00 -3.492336629e+00 3.40 -3.428160242e+00 -3.428160242e+00 3.42 -3.363214555e+00 -3.363214555e+00 3.44 -3.297591598e+00 -3.297591598e+00 3.46 -3.231424044e+00 -3.231424044e+00 3.48 -3.164881449e+00 -3.164881449e+00 3.50 -3.098163948e+00 -3.098163948e+00 3.52 -3.031494058e+00 -3.031494058e+00 3.54 -2.965107382e+00 -2.965107382e+00 3.56 -2.899243009e+00 -2.899243009e+00 3.58 -2.834134398e+00 -2.834134398e+00 3.60 -2.770001334e+00 -2.770001334e+00 3.62 -2.707043414e+00 -2.707043414e+00 3.64 -2.645435288e+00 -2.645435288e+00 3.66 -2.585323720e+00 -2.585323720e+00 3.68 -2.526826350e+00 -2.526826350e+00 3.70 -2.470031942e+00 -2.470031942e+00 3.72 -2.415001812e+00 -2.415001812e+00 3.74 -2.361772116e+00 -2.361772116e+00 3.76 -2.310356668e+00 -2.310356668e+00 3.78 -2.260750010e+00 -2.260750010e+00 3.80 -2.212930503e+00 -2.212930503e+00 3.82 -2.166863261e+00 -2.166863261e+00 3.84 -2.122502819e+00 -2.122502819e+00 3.86 -2.079795454e+00 -2.079795454e+00 3.88 -2.038681148e+00 -2.038681148e+00 3.90 -1.999095170e+00 -1.999095170e+00 3.92 -1.960969309e+00 -1.960969309e+00 3.94 -1.924232783e+00 -1.924232783e+00 3.96 -1.888812875e+00 -1.888812875e+00 3.98 -1.854635346e+00 -1.854635346e+00 4.00 -1.821624689e+00 -1.821624689e+00 4.02 -1.789704276e+00 -1.789704276e+00 4.04 -1.758796475e+00 -1.758796475e+00 4.06 -1.728822794e+00 -1.728822794e+00 4.08 -1.699704083e+00 -1.699704083e+00 4.10 -1.671360870e+00 -1.671360870e+00 4.12 -1.643713818e+00 -1.643713818e+00 4.14 -1.616684340e+00 -1.616684340e+00 4.16 -1.590195356e+00 -1.590195356e+00 4.18 -1.564172165e+00 -1.564172165e+00 4.20 -1.538543408e+00 -1.538543408e+00 4.22 -1.513242069e+00 -1.513242069e+00 4.24 -1.488206458e+00 -1.488206458e+00 4.26 -1.462851173e+00 -1.462851173e+00 4.28 -1.426625899e+00 -1.426625899e+00 4.30 -1.352095458e+00 -1.352095458e+00 4.32 -1.234795207e+00 -1.234795207e+00 4.34 -1.188686594e+00 -1.188686594e+00 4.36 -1.170938395e+00 -1.170938395e+00 4.38 -1.153034290e+00 -1.153034290e+00 4.40 -1.134978912e+00 -1.134978912e+00 4.42 -1.116783701e+00 -1.116783701e+00 4.44 -1.098466102e+00 -1.098466102e+00 4.46 -1.080048630e+00 -1.080048630e+00 4.48 -1.061557880e+00 -1.061557880e+00 4.50 -1.043023495e+00 -1.043023495e+00 4.52 -1.024477149e+00 -1.024477149e+00 4.54 -1.005951579e+00 -1.005951579e+00 4.56 -9.874796887e-01 -9.874796887e-01 4.58 -9.690937556e-01 -9.690937556e-01 4.60 -9.508247486e-01 -9.508247486e-01 4.62 -9.327017724e-01 -9.327017724e-01 4.64 -9.147516372e-01 -9.147516372e-01 4.66 -8.969985519e-01 -8.969985519e-01 4.68 -8.794639353e-01 -8.794639353e-01 4.70 -8.621663311e-01 -8.621663311e-01 4.72 -8.451214168e-01 -8.451214168e-01 4.74 -8.283420887e-01 -8.283420887e-01 4.76 -8.118386097e-01 -8.118386097e-01 4.78 -7.956188016e-01 -7.956188016e-01 4.80 -7.796882705e-01 -7.796882705e-01 4.82 -7.640506492e-01 -7.640506492e-01 4.84 -7.487078461e-01 -7.487078461e-01 4.86 -7.336602905e-01 -7.336602905e-01 4.88 -7.189071671e-01 -7.189071671e-01 4.90 -7.044466332e-01 -7.044466332e-01 4.92 -6.887413037e-01 -6.887413037e-01 4.94 -6.524176858e-01 -6.524176858e-01 4.96 -5.450792469e-01 -5.450792469e-01 4.98 -3.002628107e-01 -3.002628107e-01 5.00 -1.978579359e-22 -1.978926443e-22 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