# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Zhou-X-W-Ward-D-K-Foster-M-E--Al-Cu # implementation = 2016--Zhou-X-W--Al-Cu--LAMMPS--ipr2 # composition = Al3Cu # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 2.00 -1.998838450e+00 -1.277757300e-01 6.878540915e-01 2.02 -2.162914017e+00 -3.877273703e-01 3.893336836e-01 2.04 -2.315110821e+00 -6.296234251e-01 1.069900266e-01 2.06 -2.455511255e+00 -8.548297512e-01 -1.604138583e-01 2.08 -2.584174093e+00 -1.064671793e+00 -4.139639330e-01 2.10 -2.701212420e+00 -1.260617535e+00 -6.545078741e-01 2.12 -2.806677729e+00 -1.443802085e+00 -8.821805390e-01 2.14 -2.901411546e+00 -1.615561265e+00 -1.097955345e+00 2.16 -2.986053101e+00 -1.776807356e+00 -1.301699712e+00 2.18 -3.061439222e+00 -1.928388050e+00 -1.493233884e+00 2.20 -3.128544756e+00 -2.070805617e+00 -1.672447747e+00 2.22 -3.188132503e+00 -2.204711830e+00 -1.839416181e+00 2.24 -3.241083993e+00 -2.330988698e+00 -1.994463914e+00 2.26 -3.287437981e+00 -2.449765938e+00 -2.138151412e+00 2.28 -3.328194289e+00 -2.561135447e+00 -2.271189635e+00 2.30 -3.363621875e+00 -2.665114223e+00 -2.394227833e+00 2.32 -3.393772447e+00 -2.761768644e+00 -2.508137395e+00 2.34 -3.418701940e+00 -2.851114714e+00 -2.613685445e+00 2.36 -3.438470251e+00 -2.933138767e+00 -2.711451783e+00 2.38 -3.453140999e+00 -3.007851366e+00 -2.802033096e+00 2.40 -3.462781541e+00 -3.075306124e+00 -2.885999372e+00 2.42 -3.467462573e+00 -3.135615841e+00 -2.963857690e+00 2.44 -3.467257833e+00 -3.188962958e+00 -3.035606511e+00 2.46 -3.462244005e+00 -3.235601257e+00 -3.102174478e+00 2.48 -3.452500294e+00 -3.275847017e+00 -3.163845020e+00 2.50 -3.438108269e+00 -3.310061273e+00 -3.220707141e+00 2.52 -3.419151521e+00 -3.338625650e+00 -3.272852791e+00 2.54 -3.395715474e+00 -3.361916221e+00 -3.320374980e+00 2.56 -3.367887127e+00 -3.380279230e+00 -3.363365282e+00 2.58 -3.335754965e+00 -3.393838960e+00 -3.401910866e+00 2.60 -3.299408761e+00 -3.402942022e+00 -3.436091098e+00 2.62 -3.258939641e+00 -3.408051603e+00 -3.465973892e+00 2.64 -3.214440100e+00 -3.409245900e+00 -3.491617718e+00 2.66 -3.166004223e+00 -3.406604757e+00 -3.513041241e+00 2.68 -3.113728063e+00 -3.400209578e+00 -3.530311026e+00 2.70 -3.057710078e+00 -3.390143307e+00 -3.543446981e+00 2.72 -2.998051935e+00 -3.376490470e+00 -3.552464265e+00 2.74 -2.934859430e+00 -3.359337200e+00 -3.557381161e+00 2.76 -2.868243719e+00 -3.338771509e+00 -3.558224882e+00 2.78 -2.798322826e+00 -3.314883518e+00 -3.555036922e+00 2.80 -2.725223466e+00 -3.287765887e+00 -3.547877718e+00 2.82 -2.649083246e+00 -3.257514362e+00 -3.536829689e+00 2.84 -2.570053108e+00 -3.224228472e+00 -3.521997897e+00 2.86 -2.488300207e+00 -3.188012356e+00 -3.503508278e+00 2.88 -2.404011007e+00 -3.148975749e+00 -3.481503340e+00 2.90 -2.317394546e+00 -3.107235157e+00 -3.456136148e+00 2.92 -2.228685816e+00 -3.062915044e+00 -3.427563240e+00 2.94 -2.138148971e+00 -3.016149122e+00 -3.395937735e+00 2.96 -2.046080064e+00 -2.967081576e+00 -3.361403079e+00 2.98 -1.952809058e+00 -2.915868140e+00 -3.323992235e+00 3.00 -1.858700666e+00 -2.862676801e+00 -3.283898843e+00 3.02 -1.764153499e+00 -2.807687899e+00 -3.241312242e+00 3.04 -1.669597368e+00 -2.751093381e+00 -3.196290389e+00 3.06 -1.575488427e+00 -2.693094886e+00 -3.148889710e+00 3.08 -1.482302448e+00 -2.633900276e+00 -3.099164854e+00 3.10 -1.390526824e+00 -2.573718499e+00 -3.047168581e+00 3.12 -1.300652584e+00 -2.512752558e+00 -2.992951580e+00 3.14 -1.213167951e+00 -2.451190911e+00 -2.936562435e+00 3.16 -1.128555096e+00 -2.389197728e+00 -2.878047648e+00 3.18 -1.047290911e+00 -2.326903101e+00 -2.817451691e+00 3.20 -9.698510738e-01 -2.264394629e+00 -2.754817220e+00 3.22 -8.967141337e-01 -2.201712003e+00 -2.690185382e+00 3.24 -8.283597843e-01 -2.138846220e+00 -2.623596269e+00 3.26 -7.652537567e-01 -2.075744370e+00 -2.555089513e+00 3.28 -7.078127725e-01 -2.012319974e+00 -2.484705117e+00 3.30 -6.563478557e-01 -1.948467447e+00 -2.412484464e+00 3.32 -6.109931233e-01 -1.884078197e+00 -2.338471542e+00 3.34 -5.716375492e-01 -1.819055288e+00 -2.262714547e+00 3.36 -5.378838320e-01 -1.753323898e+00 -2.185267657e+00 3.38 -5.090561274e-01 -1.686836382e+00 -2.106193231e+00 3.40 -4.842647771e-01 -1.619572383e+00 -2.025564362e+00 3.42 -4.625133525e-01 -1.551534259e+00 -1.943467735e+00 3.44 -4.427150832e-01 -1.482744417e+00 -1.860006948e+00 3.46 -4.241143029e-01 -1.413230722e+00 -1.775306147e+00 3.48 -4.061857348e-01 -1.343110696e+00 -1.689514034e+00 3.50 -3.884872413e-01 -1.272472971e+00 -1.602808120e+00 3.52 -3.707237228e-01 -1.201444352e+00 -1.515399087e+00 3.54 -3.529475601e-01 -1.130193538e+00 -1.427535149e+00 3.56 -3.349617820e-01 -1.058933370e+00 -1.339506069e+00 3.58 -3.168978288e-01 -9.879215838e-01 -1.251646420e+00 3.60 -2.988558730e-01 -9.174600627e-01 -1.164337612e+00 3.62 -2.808827019e-01 -8.478883072e-01 -1.078007987e+00 3.64 -2.630288629e-01 -7.795839014e-01 -9.931299852e-01 3.66 -2.453484778e-01 -7.128857363e-01 -9.102133933e-01 3.68 -2.278989339e-01 -6.483454712e-01 -8.297934571e-01 3.70 -2.107404479e-01 -5.863892152e-01 -7.524127178e-01 3.72 -1.939354882e-01 -5.274316221e-01 -6.785958980e-01 3.74 -1.775480561e-01 -4.718506595e-01 -6.088182688e-01 3.76 -1.616428061e-01 -4.199580605e-01 -5.434696804e-01 3.78 -1.462840294e-01 -3.719690924e-01 -4.828190913e-01 3.80 -1.315344851e-01 -3.279775494e-01 -4.269869372e-01 3.82 -1.174541187e-01 -2.879435806e-01 -3.759340023e-01 3.84 -1.040986845e-01 -2.517009245e-01 -3.294735916e-01 3.86 -9.151830458e-02 -2.189856555e-01 -2.873080994e-01 3.88 -7.975602182e-02 -1.894813414e-01 -2.490829690e-01 3.90 -6.884639165e-02 -1.628688683e-01 -2.144440724e-01 3.92 -5.881417852e-02 -1.388671056e-01 -1.830830198e-01 3.94 -4.967321604e-02 -1.171492131e-01 -1.546307033e-01 3.96 -4.142549216e-02 -9.786364367e-02 -1.292939399e-01 3.98 -3.406050615e-02 -8.055590245e-02 -1.065245352e-01 4.00 -2.755493398e-02 -6.523674709e-02 -8.635575694e-02 4.02 -2.187262153e-02 -5.185520074e-02 -6.873282054e-02 4.04 -1.696496347e-02 -4.030137125e-02 -5.351774159e-02 4.06 -1.277192376e-02 -3.043781072e-02 -4.053573327e-02 4.08 -9.224775694e-03 -2.210405457e-02 -2.957953428e-02 4.10 -6.254212759e-03 -1.513003868e-02 -2.042140703e-02 4.12 -3.813001928e-03 -9.377686732e-03 -1.285334266e-02 4.14 -1.920042703e-03 -4.842043753e-03 -6.805347950e-03 4.16 -6.714030041e-04 -1.741881823e-03 -2.526098494e-03 4.18 6.619998008e-05 1.765332802e-04 2.647999203e-04 4.20 4.225389976e-17 2.345010081e-16 7.618839438e-17 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00