# 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 = Ni3Pd # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 1.751632086e+02 nan nan 1.16 1.599099154e+02 nan nan 1.18 1.459590157e+02 nan nan 1.20 1.331922546e+02 nan nan 1.22 1.215023693e+02 nan nan 1.24 1.107909282e+02 nan nan 1.26 1.009690891e+02 nan nan 1.28 9.195820441e+01 1.495338448e+02 1.737602127e+02 1.30 8.368821032e+01 1.374474633e+02 1.601583170e+02 1.32 7.609550160e+01 1.263005891e+02 1.475944364e+02 1.34 6.912223067e+01 1.160166348e+02 1.359830473e+02 1.36 6.271651591e+01 1.065257949e+02 1.252478071e+02 1.38 5.683198574e+01 9.776386435e+01 1.153202430e+02 1.40 5.142642827e+01 8.967154837e+01 1.061377732e+02 1.42 4.646051344e+01 8.219456558e+01 9.764192736e+01 1.44 4.189719195e+01 7.528394465e+01 8.977773099e+01 1.46 3.770173855e+01 6.889572628e+01 8.249428976e+01 1.48 3.384336752e+01 6.299005969e+01 7.574552573e+01 1.50 3.031062883e+01 5.753024433e+01 6.949018524e+01 1.52 2.708128646e+01 5.248212235e+01 6.369123070e+01 1.54 2.412989276e+01 4.781377370e+01 5.831507458e+01 1.56 2.143361830e+01 4.349523870e+01 5.333084366e+01 1.58 1.897148720e+01 3.949823645e+01 4.870976555e+01 1.60 1.672390567e+01 3.579618275e+01 4.442483872e+01 1.62 1.467259073e+01 3.236822799e+01 4.045083251e+01 1.64 1.280072895e+01 2.920769676e+01 3.676442620e+01 1.66 1.109311404e+01 2.629568423e+01 3.334526732e+01 1.68 9.536120565e+00 2.361395529e+01 3.018807117e+01 1.70 8.117493371e+00 2.114611262e+01 2.727754580e+01 1.72 6.826037217e+00 1.887687042e+01 2.459466582e+01 1.74 5.651349851e+00 1.679161160e+01 2.212175166e+01 1.76 4.583689032e+00 1.487626835e+01 1.984251388e+01 1.78 3.613971111e+00 1.311744644e+01 1.774197373e+01 1.80 2.733849816e+00 1.150263941e+01 1.580626670e+01 1.82 1.935802874e+00 1.002038631e+01 1.402248299e+01 1.84 1.213150974e+00 8.660294469e+00 1.237865843e+01 1.86 5.599722204e-01 7.412928597e+00 1.086387875e+01 1.88 -2.906204882e-02 6.269631476e+00 9.468362074e+00 1.90 -5.588675390e-01 5.222361526e+00 8.183415256e+00 1.92 -1.034086975e+00 4.263601219e+00 7.001263208e+00 1.94 -1.459165131e+00 3.386340405e+00 5.914821772e+00 1.96 -1.838368422e+00 2.584103594e+00 4.917487437e+00 1.98 -2.175773713e+00 1.850978818e+00 4.002987447e+00 2.00 -2.475241727e+00 1.181615023e+00 3.165310482e+00 2.02 -2.740378167e+00 5.711783433e-01 2.398720566e+00 2.04 -2.974489768e+00 1.528206862e-02 1.697828826e+00 2.06 -3.180552824e+00 -4.900841549e-01 1.057667385e+00 2.08 -3.361208008e+00 -9.486073459e-01 4.737095796e-01 2.10 -3.518778689e+00 -1.363682722e+00 -5.817836099e-02 2.12 -3.655300002e+00 -1.738431719e+00 -5.418214866e-01 2.14 -3.772551647e+00 -2.075718581e+00 -9.808098355e-01 2.16 -3.872096754e+00 -2.378175207e+00 -1.378537725e+00 2.18 -3.955329016e+00 -2.648237569e+00 -1.738215059e+00 2.20 -4.023522786e+00 -2.888190001e+00 -2.062870218e+00 2.22 -4.077873659e+00 -3.100208796e+00 -2.355355475e+00 2.24 -4.119513996e+00 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-3.570801150e+00 -4.166806346e+00 -4.250578954e+00 2.62 -3.500762357e+00 -4.143097913e+00 -4.239698435e+00 2.64 -3.429109035e+00 -4.113700745e+00 -4.223978207e+00 2.66 -3.356131418e+00 -4.078746422e+00 -4.203554321e+00 2.68 -3.282131376e+00 -4.038489649e+00 -4.178573127e+00 2.70 -3.207413977e+00 -3.993266783e+00 -4.149186473e+00 2.72 -3.132276889e+00 -3.943489124e+00 -4.115559434e+00 2.74 -3.057000458e+00 -3.889633968e+00 -4.077914834e+00 2.76 -2.981839778e+00 -3.832224237e+00 -4.036509428e+00 2.78 -2.907018841e+00 -3.771798602e+00 -3.991615379e+00 2.80 -2.832726612e+00 -3.708878447e+00 -3.943516468e+00 2.82 -2.759115295e+00 -3.643940090e+00 -3.892497817e+00 2.84 -2.686301328e+00 -3.577398954e+00 -3.838834205e+00 2.86 -2.614369360e+00 -3.509607556e+00 -3.782781157e+00 2.88 -2.543378699e+00 -3.440864191e+00 -3.724570695e+00 2.90 -2.473371052e+00 -3.371426278e+00 -3.664411419e+00 2.92 -2.404378104e+00 -3.301522494e+00 -3.602491412e+00 2.94 -2.336427756e+00 -3.231360114e+00 -3.538982265e+00 2.96 -2.269548288e+00 -3.161126931e+00 -3.474043086e+00 2.98 -2.203770326e+00 -3.090989484e+00 -3.407824019e+00 3.00 -2.139126869e+00 -3.021090332e+00 -3.340469357e+00 3.02 -2.075651947e+00 -2.951546735e+00 -3.272120620e+00 3.04 -2.013378536e+00 -2.882451964e+00 -3.202919962e+00 3.06 -1.952336314e+00 -2.813879122e+00 -3.133014081e+00 3.08 -1.892549713e+00 -2.745886498e+00 -3.062558472e+00 3.10 -1.834036552e+00 -2.678523191e+00 -2.991721389e+00 3.12 -1.776807350e+00 -2.611833973e+00 -2.920686500e+00 3.14 -1.720865316e+00 -2.545862759e+00 -2.849653012e+00 3.16 -1.666206863e+00 -2.480654531e+00 -2.778832298e+00 3.18 -1.612822464e+00 -2.416255872e+00 -2.708440761e+00 3.20 -1.560697611e+00 -2.352714466e+00 -2.638689803e+00 3.22 -1.509813690e+00 -2.290077966e+00 -2.569774802e+00 3.24 -1.460148592e+00 -2.228392592e+00 -2.501865490e+00 3.26 -1.411676999e+00 -2.167701749e+00 -2.435099816e+00 3.28 -1.364370347e+00 -2.108044806e+00 -2.369582245e+00 3.30 -1.318196552e+00 -2.049456127e+00 -2.305386176e+00 3.32 -1.273119634e+00 -1.991964343e+00 -2.242559095e+00 3.34 -1.229099388e+00 -1.935591820e+00 -2.181128693e+00 3.36 -1.186091250e+00 -1.880354297e+00 -2.121108374e+00 3.38 -1.144046471e+00 -1.826260637e+00 -2.062501202e+00 3.40 -1.102912700e+00 -1.773312694e+00 -2.005302043e+00 3.42 -1.062635050e+00 -1.721505306e+00 -1.949498229e+00 3.44 -1.023157705e+00 -1.670826437e+00 -1.895069449e+00 3.46 -9.844261282e-01 -1.621257504e+00 -1.841987584e+00 3.48 -9.463898974e-01 -1.572773914e+00 -1.790217057e+00 3.50 -9.090061584e-01 -1.525345812e+00 -1.739715955e+00 3.52 -8.722435644e-01 -1.478939016e+00 -1.690437908e+00 3.54 -8.360864334e-01 -1.433516083e+00 -1.642334455e+00 3.56 -8.005386437e-01 -1.389037437e+00 -1.595357555e+00 3.58 -7.656265930e-01 -1.345462483e+00 -1.549461876e+00 3.60 -7.314004113e-01 -1.302750641e+00 -1.504606600e+00 3.62 -6.979326503e-01 -1.260862277e+00 -1.460756557e+00 3.64 -6.653139374e-01 -1.219759557e+00 -1.417882665e+00 3.66 -6.336456027e-01 -1.179407280e+00 -1.375961737e+00 3.68 -6.030299648e-01 -1.139773793e+00 -1.334975776e+00 3.70 -5.735596066e-01 -1.100832090e+00 -1.294910958e+00 3.72 -5.453073547e-01 -1.062561150e+00 -1.255756461e+00 3.74 -5.183186220e-01 -1.024947525e+00 -1.217503314e+00 3.76 -4.926072863e-01 -9.879870465e-01 -1.180143370e+00 3.78 -4.681555098e-01 -9.516864334e-01 -1.143668462e+00 3.80 -4.449171259e-01 -9.160644604e-01 -1.108069777e+00 3.82 -4.228236459e-01 -8.811522824e-01 -1.073337418e+00 3.84 -4.017916942e-01 -8.469925454e-01 -1.039460122e+00 3.86 -3.817307309e-01 -8.136370476e-01 -1.006425091e+00 3.88 -3.625501605e-01 -7.811429606e-01 -9.742178754e-01 3.90 -3.441652253e-01 -7.495679312e-01 -9.428222962e-01 3.92 -3.265013534e-01 -7.189646773e-01 -9.122203599e-01 3.94 -3.094968323e-01 -6.893758657e-01 -8.823921671e-01 3.96 -2.931038204e-01 -6.608300520e-01 -8.533158046e-01 3.98 -2.772878265e-01 -6.333392605e-01 -8.249672316e-01 4.00 -2.620258918e-01 -6.068984407e-01 -7.973201649e-01 4.02 -2.473038272e-01 -5.814866679e-01 -7.703459765e-01 4.04 -2.331129640e-01 -5.570696547e-01 -7.440136145e-01 4.06 -2.194469278e-01 -5.336029795e-01 -7.182895617e-01 4.08 -2.062989273e-01 -5.110354319e-01 -6.931378442e-01 4.10 -1.936599321e-01 -4.893119871e-01 -6.685201078e-01 4.12 -1.815179242e-01 -4.683761112e-01 -6.443957819e-01 4.14 -1.698581924e-01 -4.481712900e-01 -6.207223550e-01 4.16 -1.586644401e-01 -4.286418654e-01 -5.974557913e-01 4.18 -1.479203355e-01 -4.097333713e-01 -5.745511219e-01 4.20 -1.376111367e-01 -3.913926311e-01 -5.519632474e-01 4.22 -1.277250173e-01 -3.735678789e-01 -5.296479859e-01 4.24 -1.182538192e-01 -3.562091153e-01 -5.075633966e-01 4.26 -1.091931468e-01 -3.392688326e-01 -4.856713904e-01 4.28 -1.005417668e-01 -3.227031514e-01 -4.639396183e-01 4.30 -9.230075766e-02 -3.064733227e-01 -4.423435840e-01 4.32 -8.447245888e-02 -2.905474726e-01 -4.208688838e-01 4.34 -7.705899887e-02 -2.749024123e-01 -3.995134087e-01 4.36 -7.006136122e-02 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-1.576377642e-06 -2.892105548e-05 -4.328719167e-05 5.80 -1.367966096e-06 -2.510776998e-05 -3.757954484e-05 5.82 -1.187764026e-06 -2.180928934e-05 -3.264247192e-05 5.84 -1.031863726e-06 -1.895451889e-05 -2.836955286e-05 5.86 -8.969112491e-07 -1.648239477e-05 -2.466938305e-05 5.88 -7.800261724e-07 -1.434044053e-05 -2.146341255e-05 5.90 -6.787332359e-07 -1.248353507e-05 -1.868410171e-05 5.92 -5.909040701e-07 -1.087286049e-05 -1.627334616e-05 5.94 -5.147074885e-07 -9.475003205e-06 -1.418113124e-05 5.96 -4.485670588e-07 -8.261185699e-06 -1.236438198e-05 5.98 -3.911248650e-07 -7.206609605e-06 -1.078597968e-05 6.00 -3.412105385e-07 -6.289893679e-06 -9.413920653e-06