# 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 = Cu2PdTa # 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 2.154482655e+02 2.154482655e+02 1.30 1.990861488e+02 1.990861488e+02 1.32 1.839397163e+02 1.839397163e+02 1.34 1.699132251e+02 1.699132251e+02 1.36 1.569192477e+02 1.569192477e+02 1.38 1.448760943e+02 1.448760943e+02 1.40 1.337077360e+02 1.337077360e+02 1.42 1.233451578e+02 1.233451578e+02 1.44 1.137273840e+02 1.137273840e+02 1.46 1.048011053e+02 1.048011053e+02 1.48 9.651882349e+01 9.651882349e+01 1.50 8.883627055e+01 8.883627055e+01 1.52 8.171025190e+01 8.171025190e+01 1.54 7.509781082e+01 7.509781082e+01 1.56 6.895682212e+01 6.895682212e+01 1.58 6.324739014e+01 6.324739014e+01 1.60 5.793326520e+01 5.793326520e+01 1.62 5.298273461e+01 5.298273461e+01 1.64 4.836873516e+01 4.836873516e+01 1.66 4.406828113e+01 4.406828113e+01 1.68 4.006505213e+01 4.006505213e+01 1.70 3.634302959e+01 3.634302959e+01 1.72 3.288622812e+01 3.288622812e+01 1.74 2.969107008e+01 2.969107008e+01 1.76 2.674321213e+01 2.674321213e+01 1.78 2.402547627e+01 2.402547627e+01 1.80 2.152165641e+01 2.152165641e+01 1.82 1.921644320e+01 1.921644320e+01 1.84 1.709540667e+01 1.709540667e+01 1.86 1.514500217e+01 1.514500217e+01 1.88 1.335254360e+01 1.335254360e+01 1.90 1.170612980e+01 1.170612980e+01 1.92 1.019454852e+01 1.019454852e+01 1.94 8.807197575e+00 8.807197575e+00 1.96 7.534047794e+00 7.534047794e+00 1.98 6.365652178e+00 6.365652178e+00 2.00 5.293194800e+00 5.293194800e+00 2.02 4.308566491e+00 4.308566491e+00 2.04 3.404442372e+00 3.404442372e+00 2.06 2.574326960e+00 2.574326960e+00 2.08 1.812539915e+00 1.812539915e+00 2.10 1.114139083e+00 1.114139083e+00 2.12 4.748010714e-01 4.748010714e-01 2.14 -1.093111235e-01 -1.093111235e-01 2.16 -6.416696633e-01 -6.416696633e-01 2.18 -1.125480555e+00 -1.125480555e+00 2.20 -1.563757111e+00 -1.563757111e+00 2.22 -1.959371639e+00 -1.959371639e+00 2.24 -2.315092673e+00 -2.315092673e+00 2.26 -2.633617245e+00 -2.633617245e+00 2.28 -2.917605383e+00 -2.917605383e+00 2.30 -3.169700314e+00 -3.169700314e+00 2.32 -3.392420082e+00 -3.392420082e+00 2.34 -3.588644291e+00 -3.588644291e+00 2.36 -3.761286023e+00 -3.761286023e+00 2.38 -3.913082079e+00 -3.913082079e+00 2.40 -4.046505514e+00 -4.046505514e+00 2.42 -4.163624237e+00 -4.163624237e+00 2.44 -4.265746411e+00 -4.265746411e+00 2.46 -4.353956343e+00 -4.353956343e+00 2.48 -4.429316134e+00 -4.429316134e+00 2.50 -4.492829761e+00 -4.492829761e+00 2.52 -4.545419526e+00 -4.545419526e+00 2.54 -4.587913663e+00 -4.587913663e+00 2.56 -4.621044789e+00 -4.621044789e+00 2.58 -4.645458995e+00 -4.645458995e+00 2.60 -4.661733645e+00 -4.661733645e+00 2.62 -4.670399946e+00 -4.670399946e+00 2.64 -4.671965417e+00 -4.671965417e+00 2.66 -4.666931898e+00 -4.666931898e+00 2.68 -4.655879902e+00 -4.655879902e+00 2.70 -4.639606840e+00 -4.639606840e+00 2.72 -4.618503556e+00 -4.618503556e+00 2.74 -4.592921070e+00 -4.592921070e+00 2.76 -4.563207298e+00 -4.563207298e+00 2.78 -4.530020331e+00 -4.530020331e+00 2.80 -4.493583587e+00 -4.493583587e+00 2.82 -4.453790169e+00 -4.453790169e+00 2.84 -4.410585264e+00 -4.410585264e+00 2.86 -4.363994939e+00 -4.363994939e+00 2.88 -4.314119056e+00 -4.314119056e+00 2.90 -4.261098190e+00 -4.261098190e+00 2.92 -4.205109419e+00 -4.205109419e+00 2.94 -4.146359067e+00 -4.146359067e+00 2.96 -4.085090445e+00 -4.085090445e+00 2.98 -4.021575359e+00 -4.021575359e+00 3.00 -3.956072202e+00 -3.956072202e+00 3.02 -3.888814879e+00 -3.888814879e+00 3.04 -3.820008071e+00 -3.820008071e+00 3.06 -3.749825909e+00 -3.749825909e+00 3.08 -3.678413467e+00 -3.678413467e+00 3.10 -3.605890241e+00 -3.605890241e+00 3.12 -3.532354857e+00 -3.532354857e+00 3.14 -3.457890565e+00 -3.457890565e+00 3.16 -3.382571251e+00 -3.382571251e+00 3.18 -3.306467811e+00 -3.306467811e+00 3.20 -3.229654682e+00 -3.229654682e+00 3.22 -3.152216143e+00 -3.152216143e+00 3.24 -3.074251833e+00 -3.074251833e+00 3.26 -2.995880774e+00 -2.995880774e+00 3.28 -2.917243200e+00 -2.917243200e+00 3.30 -2.838499619e+00 -2.838499619e+00 3.32 -2.759826908e+00 -2.759826908e+00 3.34 -2.681411682e+00 -2.681411682e+00 3.36 -2.603441635e+00 -2.603441635e+00 3.38 -2.526095947e+00 -2.526095947e+00 3.40 -2.449535987e+00 -2.449535987e+00 3.42 -2.373897451e+00 -2.373897451e+00 3.44 -2.299284794e+00 -2.299284794e+00 3.46 -2.225768376e+00 -2.225768376e+00 3.48 -2.153384350e+00 -2.153384350e+00 3.50 -2.082136966e+00 -2.082136966e+00 3.52 -2.012002769e+00 -2.012002769e+00 3.54 -1.942936132e+00 -1.942936132e+00 3.56 -1.874875580e+00 -1.874875580e+00 3.58 -1.807750491e+00 -1.807750491e+00 3.60 -1.741487879e+00 -1.741487879e+00 3.62 -1.676019039e+00 -1.676019039e+00 3.64 -1.611285922e+00 -1.611285922e+00 3.66 -1.547247106e+00 -1.547247106e+00 3.68 -1.483883184e+00 -1.483883184e+00 3.70 -1.421201353e+00 -1.421201353e+00 3.72 -1.359238887e+00 -1.359238887e+00 3.74 -1.298065132e+00 -1.298065132e+00 3.76 -1.237781623e+00 -1.237781623e+00 3.78 -1.178519992e+00 -1.178519992e+00 3.80 -1.120437435e+00 -1.120437435e+00 3.82 -1.063709767e+00 -1.063709767e+00 3.84 -1.008522406e+00 -1.008522406e+00 3.86 -9.550599207e-01 -9.550599207e-01 3.88 -9.034951256e-01 -9.034951256e-01 3.90 -8.539788128e-01 -8.539788128e-01 3.92 -8.066312143e-01 -8.066312143e-01 3.94 -7.615360515e-01 -7.615360515e-01 3.96 -7.187376449e-01 -7.187376449e-01 3.98 -6.782411247e-01 -6.782411247e-01 4.00 -6.400153579e-01 -6.400153579e-01 4.02 -6.039979210e-01 -6.039979210e-01 4.04 -5.701012939e-01 -5.701012939e-01 4.06 -5.382194577e-01 -5.382194577e-01 4.08 -5.082341967e-01 -5.082341967e-01 4.10 -4.800205995e-01 -4.800205995e-01 4.12 -4.534514799e-01 -4.534514799e-01 4.14 -4.284006450e-01 -4.284006450e-01 4.16 -4.047451360e-01 -4.047451360e-01 4.18 -3.823666759e-01 -3.823666759e-01 4.20 -3.611526300e-01 -3.611526300e-01 4.22 -3.409967700e-01 -3.409967700e-01 4.24 -3.218000764e-01 -3.218000764e-01 4.26 -3.034717060e-01 -3.034717060e-01 4.28 -2.859301452e-01 -2.859301452e-01 4.30 -2.691044591e-01 -2.691044591e-01 4.32 -2.529354742e-01 -2.529354742e-01 4.34 -2.373766835e-01 -2.373766835e-01 4.36 -2.223946634e-01 -2.223946634e-01 4.38 -2.079688217e-01 -2.079688217e-01 4.40 -1.940903688e-01 -1.940903688e-01 4.42 -1.807604982e-01 -1.807604982e-01 4.44 -1.679878752e-01 -1.679878752e-01 4.46 -1.557856425e-01 -1.557856425e-01 4.48 -1.441682352e-01 -1.441682352e-01 4.50 -1.331483403e-01 -1.331483403e-01 4.52 -1.227343200e-01 -1.227343200e-01 4.54 -1.129283537e-01 -1.129283537e-01 4.56 -1.037254425e-01 -1.037254425e-01 4.58 -9.511329074e-02 -9.511329074e-02 4.60 -8.707296545e-02 -8.707296545e-02 4.62 -7.958017393e-02 -7.958017393e-02 4.64 -7.260690245e-02 -7.260690245e-02 4.66 -6.612316884e-02 -6.612316884e-02 4.68 -6.009866430e-02 -6.009866430e-02 4.70 -5.450415789e-02 -5.450415789e-02 4.72 -4.931228890e-02 -4.931228890e-02 4.74 -4.449858232e-02 -4.449858232e-02 4.76 -4.004189148e-02 -4.004189148e-02 4.78 -3.592369920e-02 -3.592369920e-02 4.80 -3.212775133e-02 -3.212775133e-02 4.82 -2.863950203e-02 -2.863950203e-02 4.84 -2.544547071e-02 -2.544547071e-02 4.86 -2.253262051e-02 -2.253262051e-02 4.88 -1.988783427e-02 -1.988783427e-02 4.90 -1.749753904e-02 -1.749753904e-02 4.92 -1.534750012e-02 -1.534750012e-02 4.94 -1.342258700e-02 -1.342258700e-02 4.96 -1.170716785e-02 -1.170716785e-02 4.98 -1.018548639e-02 -1.018548639e-02 5.00 -8.841544436e-03 -8.841544436e-03 5.02 -7.659402279e-03 -7.659402279e-03 5.04 -6.623465281e-03 -6.623465281e-03 5.06 -5.718732719e-03 -5.718732719e-03 5.08 -4.930996392e-03 -4.930996392e-03 5.10 -4.246984567e-03 -4.246984567e-03 5.12 -3.654452975e-03 -3.654452975e-03 5.14 -3.142228522e-03 -3.142228522e-03 5.16 -2.700213553e-03 -2.700213553e-03 5.18 -2.319359173e-03 -2.319359173e-03 5.20 -1.991615897e-03 -1.991615897e-03 5.22 -1.709868973e-03 -1.709868973e-03 5.24 -1.467864578e-03 -1.467864578e-03 5.26 -1.260131812e-03 -1.260131812e-03 5.28 -1.081904243e-03 -1.081904243e-03 5.30 -9.290436914e-04 -9.290436914e-04 5.32 -7.979680780e-04 -7.979680780e-04 5.34 -6.855844646e-04 -6.855844646e-04 5.36 -5.892278750e-04 -5.892278750e-04 5.38 -5.066060924e-04 -5.066060924e-04 5.40 -4.357503572e-04 -4.357503572e-04 5.42 -3.749716983e-04 -3.749716983e-04 5.44 -3.228225228e-04 -3.228225228e-04 5.46 -2.780630201e-04 -2.780630201e-04 5.48 -2.396319191e-04 -2.396319191e-04 5.50 -2.066211321e-04 -2.066211321e-04 5.52 -1.782538428e-04 -1.782538428e-04 5.54 -1.538656212e-04 -1.538656212e-04 5.56 -1.328881833e-04 -1.328881833e-04 5.58 -1.148354518e-04 -1.148354518e-04 5.60 -9.929160987e-05 -9.929160987e-05 5.62 -8.590087462e-05 -8.590087462e-05 5.64 -7.435875173e-05 -7.435875173e-05 5.66 -6.440456231e-05 -6.440456231e-05 5.68 -5.581506028e-05 -5.581506028e-05 5.70 -4.839898354e-05 -4.839898354e-05 5.72 -4.199240344e-05 -4.199240344e-05 5.74 -3.645475623e-05 -3.645475623e-05 5.76 -3.166545664e-05 -3.166545664e-05 5.78 -2.752100809e-05 -2.752100809e-05 5.80 -2.393253639e-05 -2.393253639e-05 5.82 -2.082368450e-05 -2.082368450e-05 5.84 -1.812881506e-05 -1.812881506e-05 5.86 -1.579147523e-05 -1.579147523e-05 5.88 -1.376308515e-05 -1.376308515e-05 5.90 -1.200181698e-05 -1.200181698e-05 5.92 -1.047163657e-05 -1.047163657e-05 5.94 -9.141483615e-06 -9.141483615e-06 5.96 -7.984570170e-06 -7.984570170e-06 5.98 -6.977780024e-06 -6.977780024e-06 6.00 -6.101154234e-06 -6.101154234e-06