# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AgNiW2 # 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 2024-04-11 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 3.258605012e+02 3.258605012e+02 1.30 3.004782418e+02 3.004782418e+02 1.32 2.770919786e+02 2.770919786e+02 1.34 2.555278932e+02 2.555278932e+02 1.36 2.356256176e+02 2.356256176e+02 1.38 2.172393387e+02 2.172393387e+02 1.40 2.002386207e+02 2.002386207e+02 1.42 1.845081538e+02 1.845081538e+02 1.44 1.699462765e+02 1.699462765e+02 1.46 1.564626740e+02 1.564626740e+02 1.48 1.439760845e+02 1.439760845e+02 1.50 1.324126855e+02 1.324126855e+02 1.52 1.217052550e+02 1.217052550e+02 1.54 1.117926909e+02 1.117926909e+02 1.56 1.026193922e+02 1.026193922e+02 1.58 9.413435505e+01 9.413435505e+01 1.60 8.629021782e+01 8.629021782e+01 1.62 7.904251826e+01 7.904251826e+01 1.64 7.234919686e+01 7.234919686e+01 1.66 6.617024905e+01 6.617024905e+01 1.68 6.046749132e+01 6.046749132e+01 1.70 5.520447326e+01 5.520447326e+01 1.72 5.034652723e+01 5.034652723e+01 1.74 4.586089583e+01 4.586089583e+01 1.76 4.171689256e+01 4.171689256e+01 1.78 3.788608478e+01 3.788608478e+01 1.80 3.434287509e+01 3.434287509e+01 1.82 3.106500979e+01 3.106500979e+01 1.84 2.803172860e+01 2.803172860e+01 1.86 2.522471364e+01 2.522471364e+01 1.88 2.262832281e+01 2.262832281e+01 1.90 2.022952156e+01 2.022952156e+01 1.92 1.801537044e+01 1.801537044e+01 1.94 1.597386041e+01 1.597386041e+01 1.96 1.409369471e+01 1.409369471e+01 1.98 1.236409230e+01 1.236409230e+01 2.00 1.077468709e+01 1.077468709e+01 2.02 9.315480414e+00 9.315480414e+00 2.04 7.976809953e+00 7.976809953e+00 2.06 6.749321821e+00 6.749321821e+00 2.08 5.623957052e+00 5.623957052e+00 2.10 4.591975024e+00 4.591975024e+00 2.12 3.645029134e+00 3.645029134e+00 2.14 2.775288394e+00 2.775288394e+00 2.16 1.975575252e+00 1.975575252e+00 2.18 1.239478374e+00 1.239478374e+00 2.20 5.614054943e-01 5.614054943e-01 2.22 -6.343840418e-02 -6.343840418e-02 2.24 -6.391389477e-01 -6.391389477e-01 2.26 -1.169201776e+00 -1.169201776e+00 2.28 -1.656694706e+00 -1.656694706e+00 2.30 -2.104378285e+00 -2.104378285e+00 2.32 -2.514807724e+00 -2.514807724e+00 2.34 -2.890396557e+00 -2.890396557e+00 2.36 -3.233440961e+00 -3.233440961e+00 2.38 -3.546098668e+00 -3.546098668e+00 2.40 -3.830221914e+00 -3.830221914e+00 2.42 -4.087812096e+00 -4.087812096e+00 2.44 -4.320774897e+00 -4.320774897e+00 2.46 -4.530829416e+00 -4.530829416e+00 2.48 -4.719535192e+00 -4.719535192e+00 2.50 -4.888316174e+00 -4.888316174e+00 2.52 -5.038478612e+00 -5.038478612e+00 2.54 -5.171150723e+00 -5.171150723e+00 2.56 -5.286877150e+00 -5.286877150e+00 2.58 -5.386019447e+00 -5.386019447e+00 2.60 -5.468998429e+00 -5.468998429e+00 2.62 -5.536278404e+00 -5.536278404e+00 2.64 -5.588355130e+00 -5.588355130e+00 2.66 -5.625746738e+00 -5.625746738e+00 2.68 -5.648987306e+00 -5.648987306e+00 2.70 -5.658623093e+00 -5.658623093e+00 2.72 -5.655210819e+00 -5.655210819e+00 2.74 -5.639316610e+00 -5.639316610e+00 2.76 -5.611514415e+00 -5.611514415e+00 2.78 -5.572384217e+00 -5.572384217e+00 2.80 -5.522508755e+00 -5.522508755e+00 2.82 -5.462478663e+00 -5.462478663e+00 2.84 -5.392900470e+00 -5.392900470e+00 2.86 -5.314409588e+00 -5.314409588e+00 2.88 -5.227687358e+00 -5.227687358e+00 2.90 -5.133479069e+00 -5.133479069e+00 2.92 -5.032608993e+00 -5.032608993e+00 2.94 -4.925947711e+00 -4.925947711e+00 2.96 -4.814357252e+00 -4.814357252e+00 2.98 -4.698778806e+00 -4.698778806e+00 3.00 -4.580218418e+00 -4.580218418e+00 3.02 -4.459703637e+00 -4.459703637e+00 3.04 -4.338234072e+00 -4.338234072e+00 3.06 -4.216731384e+00 -4.216731384e+00 3.08 -4.095994717e+00 -4.095994717e+00 3.10 -3.976727823e+00 -3.976727823e+00 3.12 -3.859448901e+00 -3.859448901e+00 3.14 -3.744301475e+00 -3.744301475e+00 3.16 -3.631272952e+00 -3.631272952e+00 3.18 -3.520219275e+00 -3.520219275e+00 3.20 -3.410890516e+00 -3.410890516e+00 3.22 -3.302960773e+00 -3.302960773e+00 3.24 -3.196066313e+00 -3.196066313e+00 3.26 -3.089845984e+00 -3.089845984e+00 3.28 -2.983953998e+00 -2.983953998e+00 3.30 -2.878083507e+00 -2.878083507e+00 3.32 -2.771990064e+00 -2.771990064e+00 3.34 -2.665511838e+00 -2.665511838e+00 3.36 -2.558586029e+00 -2.558586029e+00 3.38 -2.451260643e+00 -2.451260643e+00 3.40 -2.343700522e+00 -2.343700522e+00 3.42 -2.236186502e+00 -2.236186502e+00 3.44 -2.129106843e+00 -2.129106843e+00 3.46 -2.022940694e+00 -2.022940694e+00 3.48 -1.918234236e+00 -1.918234236e+00 3.50 -1.815571125e+00 -1.815571125e+00 3.52 -1.715539757e+00 -1.715539757e+00 3.54 -1.618700397e+00 -1.618700397e+00 3.56 -1.525555344e+00 -1.525555344e+00 3.58 -1.436524796e+00 -1.436524796e+00 3.60 -1.351930306e+00 -1.351930306e+00 3.62 -1.271986590e+00 -1.271986590e+00 3.64 -1.196801439e+00 -1.196801439e+00 3.66 -1.126382584e+00 -1.126382584e+00 3.68 -1.060649825e+00 -1.060649825e+00 3.70 -9.994505187e-01 -9.994505187e-01 3.72 -9.425765880e-01 -9.425765880e-01 3.74 -8.897814900e-01 -8.897814900e-01 3.76 -8.407959380e-01 -8.407959380e-01 3.78 -7.953415634e-01 -7.953415634e-01 3.80 -7.531420355e-01 -7.531420355e-01 3.82 -7.139314371e-01 -7.139314371e-01 3.84 -6.774599133e-01 -6.774599133e-01 3.86 -6.434967884e-01 -6.434967884e-01 3.88 -6.118314961e-01 -6.118314961e-01 3.90 -5.822727923e-01 -5.822727923e-01 3.92 -5.546468035e-01 -5.546468035e-01 3.94 -5.287944910e-01 -5.287944910e-01 3.96 -5.045690502e-01 -5.045690502e-01 3.98 -4.818336546e-01 -4.818336546e-01 4.00 -4.604597731e-01 -4.604597731e-01 4.02 -4.403261239e-01 -4.403261239e-01 4.04 -4.213181923e-01 -4.213181923e-01 4.06 -4.033281563e-01 -4.033281563e-01 4.08 -3.862550460e-01 -3.862550460e-01 4.10 -3.700049862e-01 -3.700049862e-01 4.12 -3.544914222e-01 -3.544914222e-01 4.14 -3.396352651e-01 -3.396352651e-01 4.16 -3.253649242e-01 -3.253649242e-01 4.18 -3.116160700e-01 -3.116160700e-01 4.20 -2.983323900e-01 -2.983323900e-01 4.22 -2.854649347e-01 -2.854649347e-01 4.24 -2.729719543e-01 -2.729719543e-01 4.26 -2.608188748e-01 -2.608188748e-01 4.28 -2.489782337e-01 -2.489782337e-01 4.30 -2.374295743e-01 -2.374295743e-01 4.32 -2.261592842e-01 -2.261592842e-01 4.34 -2.151603597e-01 -2.151603597e-01 4.36 -2.044320700e-01 -2.044320700e-01 4.38 -1.939794895e-01 -1.939794895e-01 4.40 -1.838128618e-01 -1.838128618e-01 4.42 -1.739467615e-01 -1.739467615e-01 4.44 -1.643990256e-01 -1.643990256e-01 4.46 -1.551894518e-01 -1.551894518e-01 4.48 -1.463381345e-01 -1.463381345e-01 4.50 -1.378641649e-01 -1.378641649e-01 4.52 -1.297840137e-01 -1.297840137e-01 4.54 -1.221098454e-01 -1.221098454e-01 4.56 -1.148483811e-01 -1.148483811e-01 4.58 -1.080001777e-01 -1.080001777e-01 4.60 -1.015593880e-01 -1.015593880e-01 4.62 -9.551400151e-02 -9.551400151e-02 4.64 -8.984650524e-02 -8.984650524e-02 4.66 -8.453486059e-02 -8.453486059e-02 4.68 -7.955367066e-02 -7.955367066e-02 4.70 -7.487541558e-02 -7.487541558e-02 4.72 -7.047165291e-02 -7.047165291e-02 4.74 -6.631410877e-02 -6.631410877e-02 4.76 -6.237561542e-02 -6.237561542e-02 4.78 -5.863087710e-02 -5.863087710e-02 4.80 -5.505706365e-02 -5.505706365e-02 4.82 -5.163424670e-02 -5.163424670e-02 4.84 -4.834568386e-02 -4.834568386e-02 4.86 -4.517797772e-02 -4.517797772e-02 4.88 -4.212110979e-02 -4.212110979e-02 4.90 -3.916835961e-02 -3.916835961e-02 4.92 -3.631611157e-02 -3.631611157e-02 4.94 -3.356355301e-02 -3.356355301e-02 4.96 -3.091226895e-02 -3.091226895e-02 4.98 -2.836574750e-02 -2.836574750e-02 5.00 -2.592881654e-02 -2.592881654e-02 5.02 -2.360704054e-02 -2.360704054e-02 5.04 -2.140611390e-02 -2.140611390e-02 5.06 -1.933129043e-02 -1.933129043e-02 5.08 -1.738683850e-02 -1.738683850e-02 5.10 -1.557549008e-02 -1.557549008e-02 5.12 -1.389875650e-02 -1.389875650e-02 5.14 -1.235644392e-02 -1.235644392e-02 5.16 -1.094658184e-02 -1.094658184e-02 5.18 -9.665540271e-03 -9.665540271e-03 5.20 -8.508233402e-03 -8.508233402e-03 5.22 -7.468380672e-03 -7.468380672e-03 5.24 -6.538796366e-03 -6.538796366e-03 5.26 -5.711682349e-03 -5.711682349e-03 5.28 -4.978903767e-03 -4.978903767e-03 5.30 -4.332233662e-03 -4.332233662e-03 5.32 -3.763558321e-03 -3.763558321e-03 5.34 -3.265040254e-03 -3.265040254e-03 5.36 -2.829239596e-03 -2.829239596e-03 5.38 -2.449197442e-03 -2.449197442e-03 5.40 -2.118486168e-03 -2.118486168e-03 5.42 -1.831232521e-03 -1.831232521e-03 5.44 -1.582119242e-03 -1.582119242e-03 5.46 -1.366370589e-03 -1.366370589e-03 5.48 -1.179726456e-03 -1.179726456e-03 5.50 -1.018409017e-03 -1.018409017e-03 5.52 -8.790850381e-04 -8.790850381e-04 5.54 -7.588263045e-04 -7.588263045e-04 5.56 -6.550699553e-04 -6.550699553e-04 5.58 -5.655800092e-04 -5.655800092e-04 5.60 -4.884109360e-04 -4.884109360e-04 5.62 -4.218737967e-04 -4.218737967e-04 5.64 -3.645052261e-04 -3.645052261e-04 5.66 -3.150393478e-04 -3.150393478e-04 5.68 -2.723825858e-04 -2.723825858e-04 5.70 -2.355912477e-04 -2.355912477e-04 5.72 -2.038517038e-04 -2.038517038e-04 5.74 -1.764629544e-04 -1.764629544e-04 5.76 -1.528213657e-04 -1.528213657e-04 5.78 -1.324073554e-04 -1.324073554e-04 5.80 -1.147738141e-04 -1.147738141e-04 5.82 -9.953606289e-05 -9.953606289e-05 5.84 -8.636316246e-05 -8.636316246e-05 5.86 -7.497040509e-05 -7.497040509e-05 5.88 -6.511283821e-05 -6.511283821e-05 5.90 -5.657968478e-05 -5.657968478e-05 5.92 -4.918954090e-05 -4.918954090e-05 5.94 -4.278624566e-05 -4.278624566e-05 5.96 -3.723533133e-05 -3.723533133e-05 5.98 -3.242097378e-05 -3.242097378e-05 6.00 -2.824337349e-05 -2.824337349e-05