# 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 = Ag2PdTi # 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 2.878285093e+02 2.878285093e+02 1.30 2.667648584e+02 2.667648584e+02 1.32 2.472644883e+02 2.472644883e+02 1.34 2.292020706e+02 2.292020706e+02 1.36 2.124624373e+02 2.124624373e+02 1.38 1.969396417e+02 1.969396417e+02 1.40 1.825365476e+02 1.825365476e+02 1.42 1.691647012e+02 1.691647012e+02 1.44 1.567441603e+02 1.567441603e+02 1.46 1.452030314e+02 1.452030314e+02 1.48 1.344765720e+02 1.344765720e+02 1.50 1.245059350e+02 1.245059350e+02 1.52 1.152368477e+02 1.152368477e+02 1.54 1.066185593e+02 1.066185593e+02 1.56 9.860324903e+01 9.860324903e+01 1.58 9.114590327e+01 9.114590327e+01 1.60 8.420451099e+01 8.420451099e+01 1.62 7.774035840e+01 7.774035840e+01 1.64 7.171822266e+01 7.171822266e+01 1.66 6.610631269e+01 6.610631269e+01 1.68 6.087591235e+01 6.087591235e+01 1.70 5.600118112e+01 5.600118112e+01 1.72 5.146984803e+01 5.146984803e+01 1.74 4.726628090e+01 4.726628090e+01 1.76 4.336700421e+01 4.336700421e+01 1.78 3.974952599e+01 3.974952599e+01 1.80 3.639305317e+01 3.639305317e+01 1.82 3.327848614e+01 3.327848614e+01 1.84 3.038833024e+01 3.038833024e+01 1.86 2.770655042e+01 2.770655042e+01 1.88 2.521840874e+01 2.521840874e+01 1.90 2.291031811e+01 2.291031811e+01 1.92 2.076972121e+01 2.076972121e+01 1.94 1.878499627e+01 1.878499627e+01 1.96 1.694538580e+01 1.694538580e+01 1.98 1.524093509e+01 1.524093509e+01 2.00 1.366241758e+01 1.366241758e+01 2.02 1.220123887e+01 1.220123887e+01 2.04 1.084933890e+01 1.084933890e+01 2.06 9.599122333e+00 9.599122333e+00 2.08 8.443431575e+00 8.443431575e+00 2.10 7.375551584e+00 7.375551584e+00 2.12 6.389222188e+00 6.389222188e+00 2.14 5.478638381e+00 5.478638381e+00 2.16 4.638434663e+00 4.638434663e+00 2.18 3.863659170e+00 3.863659170e+00 2.20 3.149743954e+00 3.149743954e+00 2.22 2.492472963e+00 2.492472963e+00 2.24 1.887947892e+00 1.887947892e+00 2.26 1.332553365e+00 1.332553365e+00 2.28 8.229254282e-01 8.229254282e-01 2.30 3.559273080e-01 3.559273080e-01 2.32 -7.136756103e-02 -7.136756103e-02 2.34 -4.616876089e-01 -4.616876089e-01 2.36 -8.175758334e-01 -8.175758334e-01 2.38 -1.141405826e+00 -1.141405826e+00 2.40 -1.435401589e+00 -1.435401589e+00 2.42 -1.701658627e+00 -1.701658627e+00 2.44 -1.942162881e+00 -1.942162881e+00 2.46 -2.158805318e+00 -2.158805318e+00 2.48 -2.353390221e+00 -2.353390221e+00 2.50 -2.527636117e+00 -2.527636117e+00 2.52 -2.683214558e+00 -2.683214558e+00 2.54 -2.821648846e+00 -2.821648846e+00 2.56 -2.944291525e+00 -2.944291525e+00 2.58 -3.052401423e+00 -3.052401423e+00 2.60 -3.147145112e+00 -3.147145112e+00 2.62 -3.229601398e+00 -3.229601398e+00 2.64 -3.300764549e+00 -3.300764549e+00 2.66 -3.361643372e+00 -3.361643372e+00 2.68 -3.413272532e+00 -3.413272532e+00 2.70 -3.456098750e+00 -3.456098750e+00 2.72 -3.490520179e+00 -3.490520179e+00 2.74 -3.516929613e+00 -3.516929613e+00 2.76 -3.535713439e+00 -3.535713439e+00 2.78 -3.547253271e+00 -3.547253271e+00 2.80 -3.551929214e+00 -3.551929214e+00 2.82 -3.550129236e+00 -3.550129236e+00 2.84 -3.542285678e+00 -3.542285678e+00 2.86 -3.528849402e+00 -3.528849402e+00 2.88 -3.510273085e+00 -3.510273085e+00 2.90 -3.487013515e+00 -3.487013515e+00 2.92 -3.459685594e+00 -3.459685594e+00 2.94 -3.428725011e+00 -3.428725011e+00 2.96 -3.394394965e+00 -3.394394965e+00 2.98 -3.356977559e+00 -3.356977559e+00 3.00 -3.316765087e+00 -3.316765087e+00 3.02 -3.274054197e+00 -3.274054197e+00 3.04 -3.229141335e+00 -3.229141335e+00 3.06 -3.182317933e+00 -3.182317933e+00 3.08 -3.133865953e+00 -3.133865953e+00 3.10 -3.084060701e+00 -3.084060701e+00 3.12 -3.033152649e+00 -3.033152649e+00 3.14 -2.981357427e+00 -2.981357427e+00 3.16 -2.928854842e+00 -2.928854842e+00 3.18 -2.875791476e+00 -2.875791476e+00 3.20 -2.822285447e+00 -2.822285447e+00 3.22 -2.768432368e+00 -2.768432368e+00 3.24 -2.714311413e+00 -2.714311413e+00 3.26 -2.659990751e+00 -2.659990751e+00 3.28 -2.605531980e+00 -2.605531980e+00 3.30 -2.550993469e+00 -2.550993469e+00 3.32 -2.496432697e+00 -2.496432697e+00 3.34 -2.441907747e+00 -2.441907747e+00 3.36 -2.387478147e+00 -2.387478147e+00 3.38 -2.333205263e+00 -2.333205263e+00 3.40 -2.279152397e+00 -2.279152397e+00 3.42 -2.225384864e+00 -2.225384864e+00 3.44 -2.171969915e+00 -2.171969915e+00 3.46 -2.118976855e+00 -2.118976855e+00 3.48 -2.066477020e+00 -2.066477020e+00 3.50 -2.014543517e+00 -2.014543517e+00 3.52 -1.963250441e+00 -1.963250441e+00 3.54 -1.912671316e+00 -1.912671316e+00 3.56 -1.862876683e+00 -1.862876683e+00 3.58 -1.813930997e+00 -1.813930997e+00 3.60 -1.765889285e+00 -1.765889285e+00 3.62 -1.718794197e+00 -1.718794197e+00 3.64 -1.672674028e+00 -1.672674028e+00 3.66 -1.627542085e+00 -1.627542085e+00 3.68 -1.583397417e+00 -1.583397417e+00 3.70 -1.540226665e+00 -1.540226665e+00 3.72 -1.498006576e+00 -1.498006576e+00 3.74 -1.456706767e+00 -1.456706767e+00 3.76 -1.416292378e+00 -1.416292378e+00 3.78 -1.376726413e+00 -1.376726413e+00 3.80 -1.337971672e+00 -1.337971672e+00 3.82 -1.299992259e+00 -1.299992259e+00 3.84 -1.262754701e+00 -1.262754701e+00 3.86 -1.226228724e+00 -1.226228724e+00 3.88 -1.190387745e+00 -1.190387745e+00 3.90 -1.155209128e+00 -1.155209128e+00 3.92 -1.120674252e+00 -1.120674252e+00 3.94 -1.086768558e+00 -1.086768558e+00 3.96 -1.053481318e+00 -1.053481318e+00 3.98 -1.020805595e+00 -1.020805595e+00 4.00 -9.887380873e-01 -9.887380873e-01 4.02 -9.572789782e-01 -9.572789782e-01 4.04 -9.264317607e-01 -9.264317607e-01 4.06 -8.962029817e-01 -8.962029817e-01 4.08 -8.666018642e-01 -8.666018642e-01 4.10 -8.376397066e-01 -8.376397066e-01 4.12 -8.093294423e-01 -8.093294423e-01 4.14 -7.816843770e-01 -7.816843770e-01 4.16 -7.547175739e-01 -7.547175739e-01 4.18 -7.284408981e-01 -7.284408981e-01 4.20 -7.028642769e-01 -7.028642769e-01 4.22 -6.779951767e-01 -6.779951767e-01 4.24 -6.538383308e-01 -6.538383308e-01 4.26 -6.303956921e-01 -6.303956921e-01 4.28 -6.076665383e-01 -6.076665383e-01 4.30 -5.856476261e-01 -5.856476261e-01 4.32 -5.643332993e-01 -5.643332993e-01 4.34 -5.437154843e-01 -5.437154843e-01 4.36 -5.237835572e-01 -5.237835572e-01 4.38 -5.045241174e-01 -5.045241174e-01 4.40 -4.859207417e-01 -4.859207417e-01 4.42 -4.679538056e-01 -4.679538056e-01 4.44 -4.506004546e-01 -4.506004546e-01 4.46 -4.338347752e-01 -4.338347752e-01 4.48 -4.176281839e-01 -4.176281839e-01 4.50 -4.019500131e-01 -4.019500131e-01 4.52 -3.867682513e-01 -3.867682513e-01 4.54 -3.720503760e-01 -3.720503760e-01 4.56 -3.577642221e-01 -3.577642221e-01 4.58 -3.438788279e-01 -3.438788279e-01 4.60 -3.303652168e-01 -3.303652168e-01 4.62 -3.171970779e-01 -3.171970779e-01 4.64 -3.043513213e-01 -3.043513213e-01 4.66 -2.918084853e-01 -2.918084853e-01 4.68 -2.795529823e-01 -2.795529823e-01 4.70 -2.675731728e-01 -2.675731728e-01 4.72 -2.558612664e-01 -2.558612664e-01 4.74 -2.444130612e-01 -2.444130612e-01 4.76 -2.332275466e-01 -2.332275466e-01 4.78 -2.223064079e-01 -2.223064079e-01 4.80 -2.116534443e-01 -2.116534443e-01 4.82 -2.012742170e-01 -2.012742170e-01 4.84 -1.911753071e-01 -1.911753071e-01 4.86 -1.813641470e-01 -1.813641470e-01 4.88 -1.718487234e-01 -1.718487234e-01 4.90 -1.626374375e-01 -1.626374375e-01 4.92 -1.537390320e-01 -1.537390320e-01 4.94 -1.451625329e-01 -1.451625329e-01 4.96 -1.369171440e-01 -1.369171440e-01 4.98 -1.290120447e-01 -1.290120447e-01 5.00 -1.214560602e-01 -1.214560602e-01 5.02 -1.142572026e-01 -1.142572026e-01 5.04 -1.074221151e-01 -1.074221151e-01 5.06 -1.009554727e-01 -1.009554727e-01 5.08 -9.485941435e-02 -9.485941435e-02 5.10 -8.913307406e-02 -8.913307406e-02 5.12 -8.377227252e-02 -8.377227252e-02 5.14 -7.876941629e-02 -7.876941629e-02 5.16 -7.411360047e-02 -7.411360047e-02 5.18 -6.979090817e-02 -6.979090817e-02 5.20 -6.578476071e-02 -6.578476071e-02 5.22 -6.207649742e-02 -6.207649742e-02 5.24 -5.864630403e-02 -5.864630403e-02 5.26 -5.547339949e-02 -5.547339949e-02 5.28 -5.253667572e-02 -5.253667572e-02 5.30 -4.981527551e-02 -4.981527551e-02 5.32 -4.728883799e-02 -4.728883799e-02 5.34 -4.493781719e-02 -4.493781719e-02 5.36 -4.274370968e-02 -4.274370968e-02 5.38 -4.068920100e-02 -4.068920100e-02 5.40 -3.875824540e-02 -3.875824540e-02 5.42 -3.693609402e-02 -3.693609402e-02 5.44 -3.520928618e-02 -3.520928618e-02 5.46 -3.356561672e-02 -3.356561672e-02 5.48 -3.199409053e-02 -3.199409053e-02 5.50 -3.048487329e-02 -3.048487329e-02 5.52 -2.902924532e-02 -2.902924532e-02 5.54 -2.761956334e-02 -2.761956334e-02 5.56 -2.624923246e-02 -2.624923246e-02 5.58 -2.491268974e-02 -2.491268974e-02 5.60 -2.360539843e-02 -2.360539843e-02 5.62 -2.232384914e-02 -2.232384914e-02 5.64 -2.106556348e-02 -2.106556348e-02 5.66 -1.982909374e-02 -1.982909374e-02 5.68 -1.861401085e-02 -1.861401085e-02 5.70 -1.742087277e-02 -1.742087277e-02 5.72 -1.625116545e-02 -1.625116545e-02 5.74 -1.510721051e-02 -1.510721051e-02 5.76 -1.399203405e-02 -1.399203405e-02 5.78 -1.290903726e-02 -1.290903726e-02 5.80 -1.186209256e-02 -1.186209256e-02 5.82 -1.085532553e-02 -1.085532553e-02 5.84 -9.892751731e-03 -9.892751731e-03 5.86 -8.978056251e-03 -8.978056251e-03 5.88 -8.114397259e-03 -8.114397259e-03 5.90 -7.304247722e-03 -7.304247722e-03 5.92 -6.549285570e-03 -6.549285570e-03 5.94 -5.850337361e-03 -5.850337361e-03 5.96 -5.207375040e-03 -5.207375040e-03 5.98 -4.619560375e-03 -4.619560375e-03 6.00 -4.085327959e-03 -4.085327959e-03