# 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 = NiPt2Zr # 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 3.674969720e+02 3.674969720e+02 1.30 3.432667376e+02 3.432667376e+02 1.32 3.206444958e+02 3.206444958e+02 1.34 2.995167303e+02 2.995167303e+02 1.36 2.797791821e+02 2.797791821e+02 1.38 2.613334828e+02 2.613334828e+02 1.40 2.440870825e+02 2.440870825e+02 1.42 2.279554107e+02 2.279554107e+02 1.44 2.128612276e+02 2.128612276e+02 1.46 1.987316455e+02 1.987316455e+02 1.48 1.854976135e+02 1.854976135e+02 1.50 1.730961322e+02 1.730961322e+02 1.52 1.614710207e+02 1.614710207e+02 1.54 1.505703662e+02 1.505703662e+02 1.56 1.403434988e+02 1.403434988e+02 1.58 1.307394072e+02 1.307394072e+02 1.60 1.217072158e+02 1.217072158e+02 1.62 1.131978195e+02 1.131978195e+02 1.64 1.051661916e+02 1.051661916e+02 1.66 9.757336528e+01 9.757336528e+01 1.68 9.038768896e+01 9.038768896e+01 1.70 8.358474228e+01 8.358474228e+01 1.72 7.714581740e+01 7.714581740e+01 1.74 7.105524864e+01 7.105524864e+01 1.76 6.529761986e+01 6.529761986e+01 1.78 5.985604882e+01 5.985604882e+01 1.80 5.471226610e+01 5.471226610e+01 1.82 4.984797015e+01 4.984797015e+01 1.84 4.524690949e+01 4.524690949e+01 1.86 4.089536496e+01 4.089536496e+01 1.88 3.680790875e+01 3.680790875e+01 1.90 3.305366385e+01 3.305366385e+01 1.92 2.961529931e+01 2.961529931e+01 1.94 2.646753324e+01 2.646753324e+01 1.96 2.358480151e+01 2.358480151e+01 1.98 2.094241095e+01 2.094241095e+01 2.00 1.851770662e+01 1.851770662e+01 2.02 1.629069296e+01 1.629069296e+01 2.04 1.424408247e+01 1.424408247e+01 2.06 1.236300087e+01 1.236300087e+01 2.08 1.063455798e+01 1.063455798e+01 2.10 9.047425079e+00 9.047425079e+00 2.12 7.591374642e+00 7.591374642e+00 2.14 6.256917636e+00 6.256917636e+00 2.16 5.035041541e+00 5.035041541e+00 2.18 3.917115995e+00 3.917115995e+00 2.20 2.894948827e+00 2.894948827e+00 2.22 1.960891158e+00 1.960891158e+00 2.24 1.107934978e+00 1.107934978e+00 2.26 3.297652804e-01 3.297652804e-01 2.28 -3.792476440e-01 -3.792476440e-01 2.30 -1.024078757e+00 -1.024078757e+00 2.32 -1.609131604e+00 -1.609131604e+00 2.34 -2.138362091e+00 -2.138362091e+00 2.36 -2.615386797e+00 -2.615386797e+00 2.38 -3.043596597e+00 -3.043596597e+00 2.40 -3.426242220e+00 -3.426242220e+00 2.42 -3.766497194e+00 -3.766497194e+00 2.44 -4.067491660e+00 -4.067491660e+00 2.46 -4.332336274e+00 -4.332336274e+00 2.48 -4.564125281e+00 -4.564125281e+00 2.50 -4.765923218e+00 -4.765923218e+00 2.52 -4.940732676e+00 -4.940732676e+00 2.54 -5.091441452e+00 -5.091441452e+00 2.56 -5.220751572e+00 -5.220751572e+00 2.58 -5.331102489e+00 -5.331102489e+00 2.60 -5.424609773e+00 -5.424609773e+00 2.62 -5.503075301e+00 -5.503075301e+00 2.64 -5.567955082e+00 -5.567955082e+00 2.66 -5.620338001e+00 -5.620338001e+00 2.68 -5.661133026e+00 -5.661133026e+00 2.70 -5.692623239e+00 -5.692623239e+00 2.72 -5.716216748e+00 -5.716216748e+00 2.74 -5.732028327e+00 -5.732028327e+00 2.76 -5.740221541e+00 -5.740221541e+00 2.78 -5.740993663e+00 -5.740993663e+00 2.80 -5.734512850e+00 -5.734512850e+00 2.82 -5.720897925e+00 -5.720897925e+00 2.84 -5.700297835e+00 -5.700297835e+00 2.86 -5.672895856e+00 -5.672895856e+00 2.88 -5.638918346e+00 -5.638918346e+00 2.90 -5.598647786e+00 -5.598647786e+00 2.92 -5.552436465e+00 -5.552436465e+00 2.94 -5.500715442e+00 -5.500715442e+00 2.96 -5.443993663e+00 -5.443993663e+00 2.98 -5.382843883e+00 -5.382843883e+00 3.00 -5.317874905e+00 -5.317874905e+00 3.02 -5.249662840e+00 -5.249662840e+00 3.04 -5.178700632e+00 -5.178700632e+00 3.06 -5.105428104e+00 -5.105428104e+00 3.08 -5.030205812e+00 -5.030205812e+00 3.10 -4.953317864e+00 -4.953317864e+00 3.12 -4.874974336e+00 -4.874974336e+00 3.14 -4.795338251e+00 -4.795338251e+00 3.16 -4.714524977e+00 -4.714524977e+00 3.18 -4.632632760e+00 -4.632632760e+00 3.20 -4.549753401e+00 -4.549753401e+00 3.22 -4.465983153e+00 -4.465983153e+00 3.24 -4.381430491e+00 -4.381430491e+00 3.26 -4.296220993e+00 -4.296220993e+00 3.28 -4.210499139e+00 -4.210499139e+00 3.30 -4.124426576e+00 -4.124426576e+00 3.32 -4.038176635e+00 -4.038176635e+00 3.34 -3.951925760e+00 -3.951925760e+00 3.36 -3.865843496e+00 -3.865843496e+00 3.38 -3.780083274e+00 -3.780083274e+00 3.40 -3.694775074e+00 -3.694775074e+00 3.42 -3.610026277e+00 -3.610026277e+00 3.44 -3.525916669e+00 -3.525916669e+00 3.46 -3.442505688e+00 -3.442505688e+00 3.48 -3.359835606e+00 -3.359835606e+00 3.50 -3.277935769e+00 -3.277935769e+00 3.52 -3.196826146e+00 -3.196826146e+00 3.54 -3.116519913e+00 -3.116519913e+00 3.56 -3.037025134e+00 -3.037025134e+00 3.58 -2.958345698e+00 -2.958345698e+00 3.60 -2.880482674e+00 -2.880482674e+00 3.62 -2.803473338e+00 -2.803473338e+00 3.64 -2.727398234e+00 -2.727398234e+00 3.66 -2.652322422e+00 -2.652322422e+00 3.68 -2.578293687e+00 -2.578293687e+00 3.70 -2.505345492e+00 -2.505345492e+00 3.72 -2.433500188e+00 -2.433500188e+00 3.74 -2.362772534e+00 -2.362772534e+00 3.76 -2.293173471e+00 -2.293173471e+00 3.78 -2.224713939e+00 -2.224713939e+00 3.80 -2.157408375e+00 -2.157408375e+00 3.82 -2.091277438e+00 -2.091277438e+00 3.84 -2.026349463e+00 -2.026349463e+00 3.86 -1.962660298e+00 -1.962660298e+00 3.88 -1.900251392e+00 -1.900251392e+00 3.90 -1.839166405e+00 -1.839166405e+00 3.92 -1.779445704e+00 -1.779445704e+00 3.94 -1.721127206e+00 -1.721127206e+00 3.96 -1.664234849e+00 -1.664234849e+00 3.98 -1.608782458e+00 -1.608782458e+00 4.00 -1.554772243e+00 -1.554772243e+00 4.02 -1.502196585e+00 -1.502196585e+00 4.04 -1.451041149e+00 -1.451041149e+00 4.06 -1.401288659e+00 -1.401288659e+00 4.08 -1.352922656e+00 -1.352922656e+00 4.10 -1.305927255e+00 -1.305927255e+00 4.12 -1.260303401e+00 -1.260303401e+00 4.14 -1.216046997e+00 -1.216046997e+00 4.16 -1.173164123e+00 -1.173164123e+00 4.18 -1.131664679e+00 -1.131664679e+00 4.20 -1.091559309e+00 -1.091559309e+00 4.22 -1.052855788e+00 -1.052855788e+00 4.24 -1.015555409e+00 -1.015555409e+00 4.26 -9.796498942e-01 -9.796498942e-01 4.28 -9.451192519e-01 -9.451192519e-01 4.30 -9.119308189e-01 -9.119308189e-01 4.32 -8.800395132e-01 -8.800395132e-01 4.34 -8.493891248e-01 -8.493891248e-01 4.36 -8.199143423e-01 -8.199143423e-01 4.38 -7.915431461e-01 -7.915431461e-01 4.40 -7.641992221e-01 -7.641992221e-01 4.42 -7.378041163e-01 -7.378041163e-01 4.44 -7.122789603e-01 -7.122789603e-01 4.46 -6.875457024e-01 -6.875457024e-01 4.48 -6.635278792e-01 -6.635278792e-01 4.50 -6.401510344e-01 -6.401510344e-01 4.52 -6.173429345e-01 -6.173429345e-01 4.54 -5.950337445e-01 -5.950337445e-01 4.56 -5.731563154e-01 -5.731563154e-01 4.58 -5.516466999e-01 -5.516466999e-01 4.60 -5.304449734e-01 -5.304449734e-01 4.62 -5.094963840e-01 -5.094963840e-01 4.64 -4.887528100e-01 -4.887528100e-01 4.66 -4.681744585e-01 -4.681744585e-01 4.68 -4.477316989e-01 -4.477316989e-01 4.70 -4.274068896e-01 -4.274068896e-01 4.72 -4.071960269e-01 -4.071960269e-01 4.74 -3.871100225e-01 -3.871100225e-01 4.76 -3.671754089e-01 -3.671754089e-01 4.78 -3.474342839e-01 -3.474342839e-01 4.80 -3.279402946e-01 -3.279402946e-01 4.82 -3.087694109e-01 -3.087694109e-01 4.84 -2.899970753e-01 -2.899970753e-01 4.86 -2.717084059e-01 -2.717084059e-01 4.88 -2.539902170e-01 -2.539902170e-01 4.90 -2.369264812e-01 -2.369264812e-01 4.92 -2.205939492e-01 -2.205939492e-01 4.94 -2.050583096e-01 -2.050583096e-01 4.96 -1.903712027e-01 -1.903712027e-01 4.98 -1.765682968e-01 -1.765682968e-01 5.00 -1.636685011e-01 -1.636685011e-01 5.02 -1.516742623e-01 -1.516742623e-01 5.04 -1.405727826e-01 -1.405727826e-01 5.06 -1.303379317e-01 -1.303379317e-01 5.08 -1.209325957e-01 -1.209325957e-01 5.10 -1.123112153e-01 -1.123112153e-01 5.12 -1.044223038e-01 -1.044223038e-01 5.14 -9.721078511e-02 -9.721078511e-02 5.16 -9.062004863e-02 -9.062004863e-02 5.18 -8.459366703e-02 -8.459366703e-02 5.20 -7.907676419e-02 -7.907676419e-02 5.22 -7.401705480e-02 -7.401705480e-02 5.24 -6.936558893e-02 -6.936558893e-02 5.26 -6.507718465e-02 -6.507718465e-02 5.28 -6.111064973e-02 -6.111064973e-02 5.30 -5.742942983e-02 -5.742942983e-02 5.32 -5.400118865e-02 -5.400118865e-02 5.34 -5.079771794e-02 -5.079771794e-02 5.36 -4.779481547e-02 -4.779481547e-02 5.38 -4.497208827e-02 -4.497208827e-02 5.40 -4.231269200e-02 -4.231269200e-02 5.42 -3.980301329e-02 -3.980301329e-02 5.44 -3.743230017e-02 -3.743230017e-02 5.46 -3.519224777e-02 -3.519224777e-02 5.48 -3.307655041e-02 -3.307655041e-02 5.50 -3.108043595e-02 -3.108043595e-02 5.52 -2.920020279e-02 -2.920020279e-02 5.54 -2.743278423e-02 -2.743278423e-02 5.56 -2.577536180e-02 -2.577536180e-02 5.58 -2.422504724e-02 -2.422504724e-02 5.60 -2.277864064e-02 -2.277864064e-02 5.62 -2.143234114e-02 -2.143234114e-02 5.64 -2.018200905e-02 -2.018200905e-02 5.66 -1.902305156e-02 -1.902305156e-02 5.68 -1.795038285e-02 -1.795038285e-02 5.70 -1.695853513e-02 -1.695853513e-02 5.72 -1.604178917e-02 -1.604178917e-02 5.74 -1.519430841e-02 -1.519430841e-02 5.76 -1.441026488e-02 -1.441026488e-02 5.78 -1.368394884e-02 -1.368394884e-02 5.80 -1.300985775e-02 -1.300985775e-02 5.82 -1.238276334e-02 -1.238276334e-02 5.84 -1.179775777e-02 -1.179775777e-02 5.86 -1.125028101e-02 -1.125028101e-02 5.88 -1.073613304e-02 -1.073613304e-02 5.90 -1.025147384e-02 -1.025147384e-02 5.92 -9.792814758e-03 -9.792814758e-03 5.94 -9.357004165e-03 -9.357004165e-03 5.96 -8.941209847e-03 -8.941209847e-03 5.98 -8.542900253e-03 -8.542900253e-03 6.00 -8.159826136e-03 -8.159826136e-03