# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgPd2Pt # 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 2022-05-24 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 9.154950149e+02 9.154950149e+02 1.00 8.395145584e+02 8.395145584e+02 1.02 7.706200110e+02 7.706200110e+02 1.04 7.080791026e+02 7.080791026e+02 1.06 6.512403987e+02 6.512403987e+02 1.08 5.995213560e+02 5.995213560e+02 1.10 5.524082267e+02 5.524082267e+02 1.12 5.094401445e+02 5.094401445e+02 1.14 4.702049769e+02 4.702049769e+02 1.16 4.343380794e+02 4.343380794e+02 1.18 4.015119604e+02 4.015119604e+02 1.20 3.714327868e+02 3.714327868e+02 1.22 3.438369719e+02 3.438369719e+02 1.24 3.184915569e+02 3.184915569e+02 1.26 2.951859031e+02 2.951859031e+02 1.28 2.737310539e+02 2.737310539e+02 1.30 2.539561148e+02 2.539561148e+02 1.32 2.357107514e+02 2.357107514e+02 1.34 2.188588903e+02 2.188588903e+02 1.36 2.032776641e+02 2.032776641e+02 1.38 1.888565365e+02 1.888565365e+02 1.40 1.754952873e+02 1.754952873e+02 1.42 1.631040131e+02 1.631040131e+02 1.44 1.516026005e+02 1.516026005e+02 1.46 1.409178304e+02 1.409178304e+02 1.48 1.309833983e+02 1.309833983e+02 1.50 1.217393518e+02 1.217393518e+02 1.52 1.131313275e+02 1.131313275e+02 1.54 1.051093667e+02 1.051093667e+02 1.56 9.762829322e+01 9.762829322e+01 1.58 9.064751206e+01 9.064751206e+01 1.60 8.413054414e+01 8.413054414e+01 1.62 7.804337081e+01 7.804337081e+01 1.64 7.235480256e+01 7.235480256e+01 1.66 6.703633827e+01 6.703633827e+01 1.68 6.206184717e+01 6.206184717e+01 1.70 5.740731782e+01 5.740731782e+01 1.72 5.305059879e+01 5.305059879e+01 1.74 4.897143226e+01 4.897143226e+01 1.76 4.515105335e+01 4.515105335e+01 1.78 4.157162099e+01 4.157162099e+01 1.80 3.821739953e+01 3.821739953e+01 1.82 3.507381629e+01 3.507381629e+01 1.84 3.211269289e+01 3.211269289e+01 1.86 2.935211603e+01 2.935211603e+01 1.88 2.676560832e+01 2.676560832e+01 1.90 2.434811604e+01 2.434811604e+01 1.92 2.208886783e+01 2.208886783e+01 1.94 1.997866292e+01 1.997866292e+01 1.96 1.800886300e+01 1.800886300e+01 1.98 1.617122966e+01 1.617122966e+01 2.00 1.445824356e+01 1.445824356e+01 2.02 1.286271689e+01 1.286271689e+01 2.04 1.137786147e+01 1.137786147e+01 2.06 9.997061597e+00 9.997061597e+00 2.08 8.714135631e+00 8.714135631e+00 2.10 7.523735918e+00 7.523735918e+00 2.12 6.419977448e+00 6.419977448e+00 2.14 5.398029169e+00 5.398029169e+00 2.16 4.453236384e+00 4.453236384e+00 2.18 3.581020764e+00 3.581020764e+00 2.20 2.777064330e+00 2.777064330e+00 2.22 2.037233431e+00 2.037233431e+00 2.24 1.357668755e+00 1.357668755e+00 2.26 7.348878350e-01 7.348878350e-01 2.28 1.652004651e-01 1.652004651e-01 2.30 -3.546857425e-01 -3.546857425e-01 2.32 -8.280774178e-01 -8.280774178e-01 2.34 -1.257856541e+00 -1.257856541e+00 2.36 -1.646851482e+00 -1.646851482e+00 2.38 -1.997741282e+00 -1.997741282e+00 2.40 -2.313063837e+00 -2.313063837e+00 2.42 -2.595150056e+00 -2.595150056e+00 2.44 -2.845820908e+00 -2.845820908e+00 2.46 -3.067743345e+00 -3.067743345e+00 2.48 -3.262955043e+00 -3.262955043e+00 2.50 -3.433388560e+00 -3.433388560e+00 2.52 -3.580624469e+00 -3.580624469e+00 2.54 -3.706594157e+00 -3.706594157e+00 2.56 -3.812935972e+00 -3.812935972e+00 2.58 -3.901173104e+00 -3.901173104e+00 2.60 -3.972709101e+00 -3.972709101e+00 2.62 -4.028908146e+00 -4.028908146e+00 2.64 -4.071045825e+00 -4.071045825e+00 2.66 -4.100515112e+00 -4.100515112e+00 2.68 -4.118413875e+00 -4.118413875e+00 2.70 -4.125094569e+00 -4.125094569e+00 2.72 -4.121942171e+00 -4.121942171e+00 2.74 -4.109926405e+00 -4.109926405e+00 2.76 -4.089879094e+00 -4.089879094e+00 2.78 -4.063644559e+00 -4.063644559e+00 2.80 -4.031522925e+00 -4.031522925e+00 2.82 -3.993496741e+00 -3.993496741e+00 2.84 -3.950194932e+00 -3.950194932e+00 2.86 -3.902201177e+00 -3.902201177e+00 2.88 -3.850080244e+00 -3.850080244e+00 2.90 -3.793670858e+00 -3.793670858e+00 2.92 -3.734132263e+00 -3.734132263e+00 2.94 -3.671872007e+00 -3.671872007e+00 2.96 -3.607281957e+00 -3.607281957e+00 2.98 -3.540724481e+00 -3.540724481e+00 3.00 -3.472532513e+00 -3.472532513e+00 3.02 -3.403011522e+00 -3.403011522e+00 3.04 -3.332438287e+00 -3.332438287e+00 3.06 -3.260866914e+00 -3.260866914e+00 3.08 -3.187398026e+00 -3.187398026e+00 3.10 -3.113611668e+00 -3.113611668e+00 3.12 -3.039765972e+00 -3.039765972e+00 3.14 -2.966027443e+00 -2.966027443e+00 3.16 -2.892550835e+00 -2.892550835e+00 3.18 -2.819475045e+00 -2.819475045e+00 3.20 -2.746924690e+00 -2.746924690e+00 3.22 -2.675011229e+00 -2.675011229e+00 3.24 -2.603816283e+00 -2.603816283e+00 3.26 -2.534350391e+00 -2.534350391e+00 3.28 -2.466043064e+00 -2.466043064e+00 3.30 -2.398643627e+00 -2.398643627e+00 3.32 -2.332213733e+00 -2.332213733e+00 3.34 -2.266808320e+00 -2.266808320e+00 3.36 -2.202475058e+00 -2.202475058e+00 3.38 -2.139254305e+00 -2.139254305e+00 3.40 -2.077184896e+00 -2.077184896e+00 3.42 -2.016350774e+00 -2.016350774e+00 3.44 -1.956710262e+00 -1.956710262e+00 3.46 -1.898282581e+00 -1.898282581e+00 3.48 -1.841086830e+00 -1.841086830e+00 3.50 -1.785128453e+00 -1.785128453e+00 3.52 -1.730404023e+00 -1.730404023e+00 3.54 -1.676914087e+00 -1.676914087e+00 3.56 -1.624641171e+00 -1.624641171e+00 3.58 -1.573556608e+00 -1.573556608e+00 3.60 -1.523631173e+00 -1.523631173e+00 3.62 -1.474889949e+00 -1.474889949e+00 3.64 -1.427370737e+00 -1.427370737e+00 3.66 -1.381042920e+00 -1.381042920e+00 3.68 -1.335804406e+00 -1.335804406e+00 3.70 -1.291586628e+00 -1.291586628e+00 3.72 -1.248433437e+00 -1.248433437e+00 3.74 -1.206418111e+00 -1.206418111e+00 3.76 -1.165585629e+00 -1.165585629e+00 3.78 -1.125914420e+00 -1.125914420e+00 3.80 -1.087369980e+00 -1.087369980e+00 3.82 -1.049925393e+00 -1.049925393e+00 3.84 -1.013545420e+00 -1.013545420e+00 3.86 -9.781927778e-01 -9.781927778e-01 3.88 -9.438550868e-01 -9.438550868e-01 3.90 -9.105248971e-01 -9.105248971e-01 3.92 -8.781946969e-01 -8.781946969e-01 3.94 -8.468366316e-01 -8.468366316e-01 3.96 -8.163046356e-01 -8.163046356e-01 3.98 -7.865477614e-01 -7.865477614e-01 4.00 -7.576573849e-01 -7.576573849e-01 4.02 -7.297010451e-01 -7.297010451e-01 4.04 -7.027260038e-01 -7.027260038e-01 4.06 -6.767626433e-01 -6.767626433e-01 4.08 -6.518273802e-01 -6.518273802e-01 4.10 -6.279848603e-01 -6.279848603e-01 4.12 -6.053208081e-01 -6.053208081e-01 4.14 -5.835986040e-01 -5.835986040e-01 4.16 -5.625704927e-01 -5.625704927e-01 4.18 -5.420499307e-01 -5.420499307e-01 4.20 -5.219000804e-01 -5.219000804e-01 4.22 -5.020241470e-01 -5.020241470e-01 4.24 -4.823572938e-01 -4.823572938e-01 4.26 -4.628599025e-01 -4.628599025e-01 4.28 -4.435119799e-01 -4.435119799e-01 4.30 -4.243085370e-01 -4.243085370e-01 4.32 -4.052532510e-01 -4.052532510e-01 4.34 -3.863308443e-01 -3.863308443e-01 4.36 -3.675442275e-01 -3.675442275e-01 4.38 -3.489419880e-01 -3.489419880e-01 4.40 -3.306484234e-01 -3.306484234e-01 4.42 -3.127620099e-01 -3.127620099e-01 4.44 -2.953581254e-01 -2.953581254e-01 4.46 -2.784929182e-01 -2.784929182e-01 4.48 -2.622065951e-01 -2.622065951e-01 4.50 -2.465262088e-01 -2.465262088e-01 4.52 -2.314680189e-01 -2.314680189e-01 4.54 -2.170394869e-01 -2.170394869e-01 4.56 -2.032407091e-01 -2.032407091e-01 4.58 -1.900453721e-01 -1.900453721e-01 4.60 -1.780415575e-01 -1.780415575e-01 4.62 -1.671585512e-01 -1.671585512e-01 4.64 -1.567771809e-01 -1.567771809e-01 4.66 -1.469017780e-01 -1.469017780e-01 4.68 -1.375150309e-01 -1.375150309e-01 4.70 -1.285988685e-01 -1.285988685e-01 4.72 -1.201348296e-01 -1.201348296e-01 4.74 -1.121042953e-01 -1.121042953e-01 4.76 -1.044886770e-01 -1.044886770e-01 4.78 -9.726956788e-02 -9.726956788e-02 4.80 -9.042615894e-02 -9.042615894e-02 4.82 -8.402350905e-02 -8.402350905e-02 4.84 -7.799002208e-02 -7.799002208e-02 4.86 -7.227538671e-02 -7.227538671e-02 4.88 -6.686399950e-02 -6.686399950e-02 4.90 -6.174081628e-02 -6.174081628e-02 4.92 -5.689136798e-02 -5.689136798e-02 4.94 -5.230176883e-02 -5.230176883e-02 4.96 -4.795871731e-02 -4.795871731e-02 4.98 -4.384949217e-02 -4.384949217e-02 5.00 -3.996194415e-02 -3.996194415e-02 5.02 -3.628448525e-02 -3.628448525e-02 5.04 -3.280607502e-02 -3.280607502e-02 5.06 -2.951620388e-02 -2.951620388e-02 5.08 -2.640487617e-02 -2.640487617e-02 5.10 -2.346259200e-02 -2.346259200e-02 5.12 -2.068032865e-02 -2.068032865e-02 5.14 -1.804952133e-02 -1.804952133e-02 5.16 -1.556204378e-02 -1.556204378e-02 5.18 -1.321018917e-02 -1.321018917e-02 5.20 -1.098665121e-02 -1.098665121e-02 5.22 -8.884505817e-03 -8.884505817e-03 5.24 -6.897192614e-03 -6.897192614e-03 5.26 -5.018456389e-03 -5.018456389e-03 5.28 -3.245086330e-03 -3.245086330e-03 5.30 -1.629505999e-03 -1.629505999e-03 5.32 -1.397572827e-03 -1.397572827e-03 5.34 -1.221624799e-03 -1.221624799e-03 5.36 -1.066374764e-03 -1.066374764e-03 5.38 -9.208137505e-04 -9.208137505e-04 5.40 -7.843520724e-04 -7.843520724e-04 5.42 -6.564349463e-04 -6.564349463e-04 5.44 -5.365404779e-04 -5.365404779e-04 5.46 -4.241777712e-04 -4.241777712e-04 5.48 -3.188851498e-04 -3.188851498e-04 5.50 -2.202284776e-04 -2.202284776e-04 5.52 -1.277995505e-04 -1.277995505e-04 5.54 -4.066065268e-05 -4.066065268e-05 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00