# 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 = AuCo2Pt # 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 2.547257453e+02 2.547257453e+02 1.30 2.359426616e+02 2.359426616e+02 1.32 2.185039670e+02 2.185039670e+02 1.34 2.023085620e+02 2.023085620e+02 1.36 1.872648647e+02 1.872648647e+02 1.38 1.732858250e+02 1.732858250e+02 1.40 1.602879042e+02 1.602879042e+02 1.42 1.481931301e+02 1.481931301e+02 1.44 1.369313074e+02 1.369313074e+02 1.46 1.264408841e+02 1.264408841e+02 1.48 1.166678754e+02 1.166678754e+02 1.50 1.075630999e+02 1.075630999e+02 1.52 9.907952369e+01 9.907952369e+01 1.54 9.117119607e+01 9.117119607e+01 1.56 8.379357275e+01 8.379357275e+01 1.58 7.690431487e+01 7.690431487e+01 1.60 7.046395693e+01 7.046395693e+01 1.62 6.443638391e+01 6.443638391e+01 1.64 5.878928650e+01 5.878928650e+01 1.66 5.349452942e+01 5.349452942e+01 1.68 4.852811381e+01 4.852811381e+01 1.70 4.387164254e+01 4.387164254e+01 1.72 3.953993120e+01 3.953993120e+01 1.74 3.556632666e+01 3.556632666e+01 1.76 3.192588160e+01 3.192588160e+01 1.78 2.859168361e+01 2.859168361e+01 1.80 2.553785833e+01 2.553785833e+01 1.82 2.274026437e+01 2.274026437e+01 1.84 2.017706513e+01 2.017706513e+01 1.86 1.782890992e+01 1.782890992e+01 1.88 1.567872415e+01 1.567872415e+01 1.90 1.371124214e+01 1.371124214e+01 1.92 1.191247866e+01 1.191247866e+01 1.94 1.026933601e+01 1.026933601e+01 1.96 8.769439362e+00 8.769439362e+00 1.98 7.401140085e+00 7.401140085e+00 2.00 6.153562854e+00 6.153562854e+00 2.02 5.016631610e+00 5.016631610e+00 2.04 3.981078888e+00 3.981078888e+00 2.06 3.038444479e+00 3.038444479e+00 2.08 2.181045342e+00 2.181045342e+00 2.10 1.401904970e+00 1.401904970e+00 2.12 6.946575746e-01 6.946575746e-01 2.14 5.345809245e-02 5.345809245e-02 2.16 -5.270779351e-01 -5.270779351e-01 2.18 -1.051900878e+00 -1.051900878e+00 2.20 -1.525534408e+00 -1.525534408e+00 2.22 -1.952083155e+00 -1.952083155e+00 2.24 -2.335252308e+00 -2.335252308e+00 2.26 -2.678379878e+00 -2.678379878e+00 2.28 -2.984476409e+00 -2.984476409e+00 2.30 -3.256266590e+00 -3.256266590e+00 2.32 -3.496229365e+00 -3.496229365e+00 2.34 -3.706635028e+00 -3.706635028e+00 2.36 -3.889579225e+00 -3.889579225e+00 2.38 -4.047014552e+00 -4.047014552e+00 2.40 -4.181032725e+00 -4.181032725e+00 2.42 -4.294745332e+00 -4.294745332e+00 2.44 -4.389631846e+00 -4.389631846e+00 2.46 -4.466933885e+00 -4.466933885e+00 2.48 -4.527956884e+00 -4.527956884e+00 2.50 -4.574066173e+00 -4.574066173e+00 2.52 -4.606672064e+00 -4.606672064e+00 2.54 -4.627203243e+00 -4.627203243e+00 2.56 -4.637086601e+00 -4.637086601e+00 2.58 -4.637756551e+00 -4.637756551e+00 2.60 -4.630373016e+00 -4.630373016e+00 2.62 -4.615947207e+00 -4.615947207e+00 2.64 -4.595346336e+00 -4.595346336e+00 2.66 -4.569281716e+00 -4.569281716e+00 2.68 -4.538375804e+00 -4.538375804e+00 2.70 -4.503000125e+00 -4.503000125e+00 2.72 -4.463391161e+00 -4.463391161e+00 2.74 -4.419665939e+00 -4.419665939e+00 2.76 -4.371863633e+00 -4.371863633e+00 2.78 -4.320040072e+00 -4.320040072e+00 2.80 -4.264275118e+00 -4.264275118e+00 2.82 -4.204674551e+00 -4.204674551e+00 2.84 -4.141370310e+00 -4.141370310e+00 2.86 -4.074521219e+00 -4.074521219e+00 2.88 -4.004325723e+00 -4.004325723e+00 2.90 -3.931032039e+00 -3.931032039e+00 2.92 -3.854946979e+00 -3.854946979e+00 2.94 -3.776441725e+00 -3.776441725e+00 2.96 -3.695950937e+00 -3.695950937e+00 2.98 -3.613962425e+00 -3.613962425e+00 3.00 -3.530996726e+00 -3.530996726e+00 3.02 -3.447578745e+00 -3.447578745e+00 3.04 -3.364206060e+00 -3.364206060e+00 3.06 -3.281319582e+00 -3.281319582e+00 3.08 -3.199281581e+00 -3.199281581e+00 3.10 -3.118364385e+00 -3.118364385e+00 3.12 -3.038787993e+00 -3.038787993e+00 3.14 -2.960768181e+00 -2.960768181e+00 3.16 -2.884427965e+00 -2.884427965e+00 3.18 -2.809809579e+00 -2.809809579e+00 3.20 -2.736902041e+00 -2.736902041e+00 3.22 -2.665663365e+00 -2.665663365e+00 3.24 -2.596036974e+00 -2.596036974e+00 3.26 -2.527962859e+00 -2.527962859e+00 3.28 -2.461384462e+00 -2.461384462e+00 3.30 -2.396252405e+00 -2.396252405e+00 3.32 -2.332526015e+00 -2.332526015e+00 3.34 -2.270173433e+00 -2.270173433e+00 3.36 -2.209170851e+00 -2.209170851e+00 3.38 -2.149501268e+00 -2.149501268e+00 3.40 -2.091153005e+00 -2.091153005e+00 3.42 -2.034118152e+00 -2.034118152e+00 3.44 -1.978391033e+00 -1.978391033e+00 3.46 -1.923966775e+00 -1.923966775e+00 3.48 -1.870840006e+00 -1.870840006e+00 3.50 -1.819003716e+00 -1.819003716e+00 3.52 -1.768448307e+00 -1.768448307e+00 3.54 -1.719160837e+00 -1.719160837e+00 3.56 -1.671124471e+00 -1.671124471e+00 3.58 -1.624318144e+00 -1.624318144e+00 3.60 -1.578716451e+00 -1.578716451e+00 3.62 -1.534289759e+00 -1.534289759e+00 3.64 -1.491004554e+00 -1.491004554e+00 3.66 -1.448823981e+00 -1.448823981e+00 3.68 -1.407708586e+00 -1.407708586e+00 3.70 -1.367617177e+00 -1.367617177e+00 3.72 -1.328507743e+00 -1.328507743e+00 3.74 -1.290338364e+00 -1.290338364e+00 3.76 -1.253068009e+00 -1.253068009e+00 3.78 -1.216657165e+00 -1.216657165e+00 3.80 -1.181068236e+00 -1.181068236e+00 3.82 -1.146265714e+00 -1.146265714e+00 3.84 -1.112216118e+00 -1.112216118e+00 3.86 -1.078887765e+00 -1.078887765e+00 3.88 -1.046250436e+00 -1.046250436e+00 3.90 -1.014275012e+00 -1.014275012e+00 3.92 -9.829331645e-01 -9.829331645e-01 3.94 -9.521971801e-01 -9.521971801e-01 3.96 -9.220399705e-01 -9.220399705e-01 3.98 -8.924353334e-01 -8.924353334e-01 4.00 -8.633584811e-01 -8.633584811e-01 4.02 -8.347868489e-01 -8.347868489e-01 4.04 -8.067011595e-01 -8.067011595e-01 4.06 -7.790866844e-01 -7.790866844e-01 4.08 -7.519346068e-01 -7.519346068e-01 4.10 -7.252433389e-01 -7.252433389e-01 4.12 -6.990196437e-01 -6.990196437e-01 4.14 -6.732793092e-01 -6.732793092e-01 4.16 -6.480472646e-01 -6.480472646e-01 4.18 -6.233569333e-01 -6.233569333e-01 4.20 -5.992487752e-01 -5.992487752e-01 4.22 -5.757680450e-01 -5.757680450e-01 4.24 -5.529619092e-01 -5.529619092e-01 4.26 -5.308761596e-01 -5.308761596e-01 4.28 -5.095518330e-01 -5.095518330e-01 4.30 -4.890220635e-01 -4.890220635e-01 4.32 -4.693094742e-01 -4.693094742e-01 4.34 -4.504243437e-01 -4.504243437e-01 4.36 -4.323636895e-01 -4.323636895e-01 4.38 -4.151112968e-01 -4.151112968e-01 4.40 -3.986386088e-01 -3.986386088e-01 4.42 -3.829063082e-01 -3.829063082e-01 4.44 -3.678663571e-01 -3.678663571e-01 4.46 -3.534642553e-01 -3.534642553e-01 4.48 -3.396412951e-01 -3.396412951e-01 4.50 -3.263366478e-01 -3.263366478e-01 4.52 -3.134891816e-01 -3.134891816e-01 4.54 -3.010389719e-01 -3.010389719e-01 4.56 -2.889285208e-01 -2.889285208e-01 4.58 -2.771037325e-01 -2.771037325e-01 4.60 -2.655147115e-01 -2.655147115e-01 4.62 -2.541164498e-01 -2.541164498e-01 4.64 -2.428694617e-01 -2.428694617e-01 4.66 -2.317404029e-01 -2.317404029e-01 4.68 -2.207026925e-01 -2.207026925e-01 4.70 -2.097371261e-01 -2.097371261e-01 4.72 -1.988324456e-01 -1.988324456e-01 4.74 -1.879858095e-01 -1.879858095e-01 4.76 -1.772030894e-01 -1.772030894e-01 4.78 -1.664989149e-01 -1.664989149e-01 4.80 -1.558963896e-01 -1.558963896e-01 4.82 -1.454264306e-01 -1.454264306e-01 4.84 -1.351266900e-01 -1.351266900e-01 4.86 -1.250400950e-01 -1.250400950e-01 4.88 -1.152130479e-01 -1.152130479e-01 4.90 -1.056933903e-01 -1.056933903e-01 4.92 -9.652825632e-02 -9.652825632e-02 4.94 -8.776195849e-02 -8.776195849e-02 4.96 -7.943404447e-02 -7.943404447e-02 4.98 -7.157765878e-02 -7.157765878e-02 5.00 -6.421830184e-02 -6.421830184e-02 5.02 -5.737304090e-02 -5.737304090e-02 5.04 -5.105020787e-02 -5.105020787e-02 5.06 -4.524956150e-02 -4.524956150e-02 5.08 -3.996309642e-02 -3.996309642e-02 5.10 -3.517566915e-02 -3.517566915e-02 5.12 -3.086566287e-02 -3.086566287e-02 5.14 -2.700688203e-02 -2.700688203e-02 5.16 -2.356981946e-02 -2.356981946e-02 5.18 -2.052286405e-02 -2.052286405e-02 5.20 -1.783340112e-02 -1.783340112e-02 5.22 -1.546876134e-02 -1.546876134e-02 5.24 -1.339685771e-02 -1.339685771e-02 5.26 -1.158688989e-02 -1.158688989e-02 5.28 -1.001023674e-02 -1.001023674e-02 5.30 -8.640216739e-03 -8.640216739e-03 5.32 -7.452273500e-03 -7.452273500e-03 5.34 -6.424064531e-03 -6.424064531e-03 5.36 -5.535457685e-03 -5.535457685e-03 5.38 -4.768460814e-03 -4.768460814e-03 5.40 -4.107105982e-03 -4.107105982e-03 5.42 -3.537305433e-03 -3.537305433e-03 5.44 -3.046692585e-03 -3.046692585e-03 5.46 -2.624457984e-03 -2.624457984e-03 5.48 -2.261187303e-03 -2.261187303e-03 5.50 -1.948706216e-03 -1.948706216e-03 5.52 -1.679935194e-03 -1.679935194e-03 5.54 -1.448755937e-03 -1.448755937e-03 5.56 -1.249890188e-03 -1.249890188e-03 5.58 -1.078790977e-03 -1.078790977e-03 5.60 -9.315458788e-04 -9.315458788e-04 5.62 -8.047915883e-04 -8.047915883e-04 5.64 -6.956389291e-04 -6.956389291e-04 5.66 -6.016073525e-04 -6.016073525e-04 5.68 -5.205679550e-04 -5.205679550e-04 5.70 -4.506940746e-04 -4.506940746e-04 5.72 -3.904185781e-04 -3.904185781e-04 5.74 -3.383970184e-04 -3.383970184e-04 5.76 -2.934759137e-04 -2.934759137e-04 5.78 -2.546654804e-04 -2.546654804e-04 5.80 -2.211162225e-04 -2.211162225e-04 5.82 -1.920988523e-04 -1.920988523e-04 5.84 -1.669870807e-04 -1.669870807e-04 5.86 -1.452428767e-04 -1.452428767e-04 5.88 -1.264038460e-04 -1.264038460e-04 5.90 -1.100724271e-04 -1.100724271e-04 5.92 -9.590664605e-05 -9.590664605e-05 5.94 -8.361220246e-05 -8.361220246e-05 5.96 -7.293569801e-05 -7.293569801e-05 5.98 -6.365883958e-05 -6.365883958e-05 6.00 -5.559347674e-05 -5.559347674e-05