# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Ni-Al-Co # implementation = 2015--Purja-Pun-G-P--Ni-Al-Co--LAMMPS--ipr1 # composition = AlCo2Ni # 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 3.133992857e+04 3.133992857e+04 1.12 2.780757605e+04 2.780757605e+04 1.14 2.458739104e+04 2.458739104e+04 1.16 2.165929376e+04 2.165929376e+04 1.18 1.900056583e+04 1.900056583e+04 1.20 1.658617047e+04 1.658617047e+04 1.22 1.438791895e+04 1.438791895e+04 1.24 1.237817847e+04 1.237817847e+04 1.26 1.053285781e+04 1.053285781e+04 1.28 8.836148628e+03 8.836148628e+03 1.30 7.273065750e+03 7.273065750e+03 1.32 5.833796962e+03 5.833796962e+03 1.34 4.510750987e+03 4.510750987e+03 1.36 3.296789922e+03 3.296789922e+03 1.38 2.277329105e+03 2.277329105e+03 1.40 1.681888132e+03 1.681888132e+03 1.42 1.364851536e+03 1.364851536e+03 1.44 1.193359435e+03 1.193359435e+03 1.46 1.070490252e+03 1.070490252e+03 1.48 9.611450013e+02 9.611450013e+02 1.50 8.630156911e+02 8.630156911e+02 1.52 7.744325666e+02 7.744325666e+02 1.54 6.940141648e+02 6.940141648e+02 1.56 6.207982572e+02 6.207982572e+02 1.58 5.541570938e+02 5.541570938e+02 1.60 4.936495568e+02 4.936495568e+02 1.62 4.388317962e+02 4.388317962e+02 1.64 3.892082525e+02 3.892082525e+02 1.66 3.443144618e+02 3.443144618e+02 1.68 3.037032419e+02 3.037032419e+02 1.70 2.669750465e+02 2.669750465e+02 1.72 2.337692965e+02 2.337692965e+02 1.74 2.037878398e+02 2.037878398e+02 1.76 1.767774625e+02 1.767774625e+02 1.78 1.525029195e+02 1.525029195e+02 1.80 1.307378019e+02 1.307378019e+02 1.82 1.113037111e+02 1.113037111e+02 1.84 9.403524421e+01 9.403524421e+01 1.86 7.878194198e+01 7.878194198e+01 1.88 6.538281470e+01 6.538281470e+01 1.90 5.368125022e+01 5.368125022e+01 1.92 4.353067096e+01 4.353067096e+01 1.94 3.479214946e+01 3.479214946e+01 1.96 2.733322882e+01 2.733322882e+01 1.98 2.102863991e+01 2.102863991e+01 2.00 1.575437839e+01 1.575437839e+01 2.02 1.138390721e+01 1.138390721e+01 2.04 7.793812562e+00 7.793812562e+00 2.06 4.877674601e+00 4.877674601e+00 2.08 2.546203343e+00 2.546203343e+00 2.10 7.157899534e-01 7.157899534e-01 2.12 -6.931894086e-01 -6.931894086e-01 2.14 -1.757771461e+00 -1.757771461e+00 2.16 -2.544821400e+00 -2.544821400e+00 2.18 -3.113475400e+00 -3.113475400e+00 2.20 -3.515625487e+00 -3.515625487e+00 2.22 -3.795903742e+00 -3.795903742e+00 2.24 -3.991713925e+00 -3.991713925e+00 2.26 -4.132440389e+00 -4.132440389e+00 2.28 -4.239280891e+00 -4.239280891e+00 2.30 -4.324706208e+00 -4.324706208e+00 2.32 -4.392853079e+00 -4.392853079e+00 2.34 -4.443090642e+00 -4.443090642e+00 2.36 -4.474936283e+00 -4.474936283e+00 2.38 -4.490049343e+00 -4.490049343e+00 2.40 -4.493774522e+00 -4.493774522e+00 2.42 -4.493809770e+00 -4.493809770e+00 2.44 -4.495413263e+00 -4.495413263e+00 2.46 -4.497713247e+00 -4.497713247e+00 2.48 -4.497452534e+00 -4.497452534e+00 2.50 -4.491478269e+00 -4.491478269e+00 2.52 -4.478788069e+00 -4.478788069e+00 2.54 -4.459587897e+00 -4.459587897e+00 2.56 -4.434328005e+00 -4.434328005e+00 2.58 -4.403263265e+00 -4.403263265e+00 2.60 -4.366602354e+00 -4.366602354e+00 2.62 -4.324536112e+00 -4.324536112e+00 2.64 -4.277273727e+00 -4.277273727e+00 2.66 -4.225128217e+00 -4.225128217e+00 2.68 -4.168609785e+00 -4.168609785e+00 2.70 -4.108414049e+00 -4.108414049e+00 2.72 -4.045282153e+00 -4.045282153e+00 2.74 -3.979828687e+00 -3.979828687e+00 2.76 -3.912422629e+00 -3.912422629e+00 2.78 -3.843295073e+00 -3.843295073e+00 2.80 -3.772598128e+00 -3.772598128e+00 2.82 -3.700527484e+00 -3.700527484e+00 2.84 -3.627387512e+00 -3.627387512e+00 2.86 -3.553598333e+00 -3.553598333e+00 2.88 -3.479637764e+00 -3.479637764e+00 2.90 -3.406008011e+00 -3.406008011e+00 2.92 -3.333205408e+00 -3.333205408e+00 2.94 -3.261661129e+00 -3.261661129e+00 2.96 -3.191682027e+00 -3.191682027e+00 2.98 -3.123389473e+00 -3.123389473e+00 3.00 -3.056667198e+00 -3.056667198e+00 3.02 -2.991130583e+00 -2.991130583e+00 3.04 -2.926130586e+00 -2.926130586e+00 3.06 -2.860808104e+00 -2.860808104e+00 3.08 -2.794267549e+00 -2.794267549e+00 3.10 -2.725910348e+00 -2.725910348e+00 3.12 -2.655952230e+00 -2.655952230e+00 3.14 -2.585911800e+00 -2.585911800e+00 3.16 -2.518488201e+00 -2.518488201e+00 3.18 -2.456672505e+00 -2.456672505e+00 3.20 -2.401971139e+00 -2.401971139e+00 3.22 -2.353918266e+00 -2.353918266e+00 3.24 -2.310601768e+00 -2.310601768e+00 3.26 -2.269781183e+00 -2.269781183e+00 3.28 -2.229683462e+00 -2.229683462e+00 3.30 -2.189125648e+00 -2.189125648e+00 3.32 -2.148227651e+00 -2.148227651e+00 3.34 -2.106344836e+00 -2.106344836e+00 3.36 -2.063192184e+00 -2.063192184e+00 3.38 -2.018472421e+00 -2.018472421e+00 3.40 -1.971953021e+00 -1.971953021e+00 3.42 -1.923759104e+00 -1.923759104e+00 3.44 -1.874856379e+00 -1.874856379e+00 3.46 -1.827137792e+00 -1.827137792e+00 3.48 -1.782460664e+00 -1.782460664e+00 3.50 -1.741536587e+00 -1.741536587e+00 3.52 -1.703957897e+00 -1.703957897e+00 3.54 -1.668978605e+00 -1.668978605e+00 3.56 -1.635958243e+00 -1.635958243e+00 3.58 -1.604389075e+00 -1.604389075e+00 3.60 -1.573937624e+00 -1.573937624e+00 3.62 -1.544636537e+00 -1.544636537e+00 3.64 -1.517200609e+00 -1.517200609e+00 3.66 -1.492950980e+00 -1.492950980e+00 3.68 -1.472650616e+00 -1.472650616e+00 3.70 -1.455778892e+00 -1.455778892e+00 3.72 -1.441326152e+00 -1.441326152e+00 3.74 -1.428478554e+00 -1.428478554e+00 3.76 -1.416709038e+00 -1.416709038e+00 3.78 -1.405690661e+00 -1.405690661e+00 3.80 -1.395214676e+00 -1.395214676e+00 3.82 -1.385142304e+00 -1.385142304e+00 3.84 -1.375378066e+00 -1.375378066e+00 3.86 -1.365855749e+00 -1.365855749e+00 3.88 -1.356528277e+00 -1.356528277e+00 3.90 -1.347365569e+00 -1.347365569e+00 3.92 -1.338348937e+00 -1.338348937e+00 3.94 -1.329464634e+00 -1.329464634e+00 3.96 -1.320702245e+00 -1.320702245e+00 3.98 -1.312054596e+00 -1.312054596e+00 4.00 -1.303517162e+00 -1.303517162e+00 4.02 -1.295087572e+00 -1.295087572e+00 4.04 -1.286765239e+00 -1.286765239e+00 4.06 -1.278551071e+00 -1.278551071e+00 4.08 -1.270447230e+00 -1.270447230e+00 4.10 -1.262453884e+00 -1.262453884e+00 4.12 -1.254565609e+00 -1.254565609e+00 4.14 -1.246776473e+00 -1.246776473e+00 4.16 -1.239080650e+00 -1.239080650e+00 4.18 -1.231472318e+00 -1.231472318e+00 4.20 -1.223945548e+00 -1.223945548e+00 4.22 -1.216494193e+00 -1.216494193e+00 4.24 -1.209111758e+00 -1.209111758e+00 4.26 -1.201791255e+00 -1.201791255e+00 4.28 -1.194524677e+00 -1.194524677e+00 4.30 -1.187301766e+00 -1.187301766e+00 4.32 -1.180110822e+00 -1.180110822e+00 4.34 -1.172938783e+00 -1.172938783e+00 4.36 -1.165772378e+00 -1.165772378e+00 4.38 -1.158597738e+00 -1.158597738e+00 4.40 -1.151398371e+00 -1.151398371e+00 4.42 -1.144154560e+00 -1.144154560e+00 4.44 -1.136842873e+00 -1.136842873e+00 4.46 -1.129435850e+00 -1.129435850e+00 4.48 -1.121902063e+00 -1.121902063e+00 4.50 -1.114206797e+00 -1.114206797e+00 4.52 -1.106313615e+00 -1.106313615e+00 4.54 -1.098187146e+00 -1.098187146e+00 4.56 -1.089797149e+00 -1.089797149e+00 4.58 -1.081123421e+00 -1.081123421e+00 4.60 -1.072160539e+00 -1.072160539e+00 4.62 -1.062920841e+00 -1.062920841e+00 4.64 -1.053433919e+00 -1.053433919e+00 4.66 -1.043741619e+00 -1.043741619e+00 4.68 -1.033889101e+00 -1.033889101e+00 4.70 -1.023914298e+00 -1.023914298e+00 4.72 -1.013839004e+00 -1.013839004e+00 4.74 -1.003664266e+00 -1.003664266e+00 4.76 -9.933709212e-01 -9.933709212e-01 4.78 -9.829242013e-01 -9.829242013e-01 4.80 -9.722802673e-01 -9.722802673e-01 4.82 -9.613926183e-01 -9.613926183e-01 4.84 -9.502171164e-01 -9.502171164e-01 4.86 -9.387152656e-01 -9.387152656e-01 4.88 -9.268560257e-01 -9.268560257e-01 4.90 -9.146166630e-01 -9.146166630e-01 4.92 -9.019831206e-01 -9.019831206e-01 4.94 -8.889484879e-01 -8.889484879e-01 4.96 -8.755092536e-01 -8.755092536e-01 4.98 -8.616646622e-01 -8.616646622e-01 5.00 -8.474169831e-01 -8.474169831e-01 5.02 -8.327715894e-01 -8.327715894e-01 5.04 -8.177367300e-01 -8.177367300e-01 5.06 -8.023234569e-01 -8.023234569e-01 5.08 -7.865452093e-01 -7.865452093e-01 5.10 -7.704172888e-01 -7.704172888e-01 5.12 -7.539561351e-01 -7.539561351e-01 5.14 -7.371785920e-01 -7.371785920e-01 5.16 -7.201013236e-01 -7.201013236e-01 5.18 -7.027406876e-01 -7.027406876e-01 5.20 -6.851128245e-01 -6.851128245e-01 5.22 -6.672343265e-01 -6.672343265e-01 5.24 -6.491229223e-01 -6.491229223e-01 5.26 -6.307984353e-01 -6.307984353e-01 5.28 -6.122836349e-01 -6.122836349e-01 5.30 -5.936046866e-01 -5.936046866e-01 5.32 -5.747916005e-01 -5.747916005e-01 5.34 -5.558783071e-01 -5.558783071e-01 5.36 -5.369023803e-01 -5.369023803e-01 5.38 -5.179045264e-01 -5.179045264e-01 5.40 -4.989280063e-01 -4.989280063e-01 5.42 -4.800180413e-01 -4.800180413e-01 5.44 -4.612209293e-01 -4.612209293e-01 5.46 -4.425578226e-01 -4.425578226e-01 5.48 -4.241348657e-01 -4.241348657e-01 5.50 -4.059577726e-01 -4.059577726e-01 5.52 -3.880693671e-01 -3.880693671e-01 5.54 -3.705097580e-01 -3.705097580e-01 5.56 -3.533156354e-01 -3.533156354e-01 5.58 -3.365196955e-01 -3.365196955e-01 5.60 -3.201501070e-01 -3.201501070e-01 5.62 -3.042307350e-01 -3.042307350e-01 5.64 -2.887791717e-01 -2.887791717e-01 5.66 -2.738045542e-01 -2.738045542e-01 5.68 -2.593095613e-01 -2.593095613e-01 5.70 -2.452902334e-01 -2.452902334e-01 5.72 -2.317358707e-01 -2.317358707e-01 5.74 -2.186290003e-01 -2.186290003e-01 5.76 -2.059515364e-01 -2.059515364e-01 5.78 -1.936820471e-01 -1.936820471e-01 5.80 -1.817926630e-01 -1.817926630e-01 5.82 -1.702492901e-01 -1.702492901e-01 5.84 -1.590126585e-01 -1.590126585e-01 5.86 -1.480353100e-01 -1.480353100e-01 5.88 -1.372695309e-01 -1.372695309e-01 5.90 -1.266763931e-01 -1.266763931e-01 5.92 -1.162320124e-01 -1.162320124e-01 5.94 -1.059258773e-01 -1.059258773e-01 5.96 -9.579110059e-02 -9.579110059e-02 5.98 -8.589152588e-02 -8.589152588e-02 6.00 -7.626370174e-02 -7.626370174e-02