# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = NiPd3 # 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 2026-08-31 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 2.837390128e+06 nan nan 0.80 2.573199628e+06 nan nan 0.82 2.334543564e+06 nan nan 0.84 2.118412328e+06 nan nan 0.86 1.922239977e+06 2.725217091e+06 nan 0.88 1.743823350e+06 2.492010855e+06 2.781623592e+06 0.90 1.581228520e+06 2.279387610e+06 2.549705655e+06 0.92 1.432769324e+06 2.085150317e+06 2.337818464e+06 0.94 1.296984408e+06 1.907379262e+06 2.143878141e+06 0.96 1.172575270e+06 1.744369464e+06 1.966028214e+06 0.98 1.058391369e+06 1.594665244e+06 1.802654451e+06 1.00 9.534264874e+05 1.456967678e+06 1.652330999e+06 1.02 8.567773868e+05 1.330129811e+06 1.513826448e+06 1.04 7.676639609e+05 1.213098472e+06 1.386034661e+06 1.06 6.853874172e+05 1.104958126e+06 1.267932703e+06 1.08 6.093298697e+05 1.004913695e+06 1.158643490e+06 1.10 5.389149072e+05 9.122254078e+05 1.057359302e+06 1.12 4.736448090e+05 8.262513420e+05 9.633838053e+05 1.14 4.130656203e+05 7.464121076e+05 8.760849540e+05 1.16 3.567873645e+05 6.721638380e+05 7.948969997e+05 1.18 3.044501362e+05 6.030496153e+05 7.193127224e+05 1.20 2.557256947e+05 5.386573153e+05 6.488645303e+05 1.22 2.103258586e+05 4.786087367e+05 5.831433171e+05 1.24 1.681075414e+05 4.225387955e+05 5.217744058e+05 1.26 1.315216221e+05 3.701371438e+05 4.643993527e+05 1.28 1.029007224e+05 3.211239397e+05 4.107121454e+05 1.30 8.063039091e+04 2.752451008e+05 3.604370925e+05 1.32 6.326432337e+04 2.322525808e+05 3.133150571e+05 1.34 4.970006204e+04 1.919274648e+05 2.691097541e+05 1.36 3.908937774e+04 1.546287929e+05 2.276132021e+05 1.38 3.077674788e+04 1.233142314e+05 1.886331529e+05 1.40 2.425362308e+04 9.847224193e+04 1.526107524e+05 1.42 1.912842189e+04 7.873198710e+04 1.224677134e+05 1.44 1.509727328e+04 6.301779545e+04 9.839738853e+04 1.46 1.192357129e+04 5.049106832e+04 7.914976054e+04 1.48 9.422052252e+03 4.049307625e+04 6.373794095e+04 1.50 7.447662181e+03 3.250339328e+04 5.137917797e+04 1.52 5.888236803e+03 2.611134336e+04 4.145068365e+04 1.54 4.655981609e+03 2.099235564e+04 3.346607404e+04 1.56 3.681855710e+03 1.688865853e+04 2.703768602e+04 1.58 2.911503150e+03 1.359459740e+04 2.185707999e+04 1.60 2.302107038e+03 1.094695149e+04 1.767873198e+04 1.62 1.819745843e+03 8.817478098e+03 1.430623077e+04 1.64 1.437831107e+03 7.103849888e+03 1.158156967e+04 1.66 1.135475716e+03 5.724182068e+03 9.378714458e+03 1.68 8.961461057e+02 4.612922822e+03 7.596818133e+03 1.70 7.067490962e+02 3.717564328e+03 6.154760424e+03 1.72 5.569111685e+02 2.995957061e+03 4.987134499e+03 1.74 4.383973247e+02 2.414142687e+03 4.041309002e+03 1.76 3.446881943e+02 1.944941994e+03 3.274919855e+03 1.78 2.706200706e+02 1.566533128e+03 2.653780145e+03 1.80 2.121045078e+02 1.261297989e+03 2.150191295e+03 1.82 1.659068606e+02 1.014982749e+03 1.741657853e+03 1.84 1.294630494e+02 8.162488107e+02 1.410232724e+03 1.86 1.007394536e+02 6.559487884e+02 1.141370168e+03 1.88 7.812175768e+01 5.266921818e+02 9.232889895e+02 1.90 6.032906068e+01 4.225036919e+02 7.464330723e+02 1.92 4.634487790e+01 3.385475451e+02 6.030410614e+02 1.94 3.536469937e+01 2.709264074e+02 4.868147260e+02 1.96 2.675173330e+01 2.164921252e+02 3.926403178e+02 1.98 2.000161027e+01 1.727008597e+02 3.163637225e+02 2.00 1.471550875e+01 1.374955527e+02 2.546063113e+02 2.02 1.057642161e+01 1.092130007e+02 2.046253086e+02 2.04 7.338321758e+00 8.650883687e+01 1.641840567e+02 2.06 4.807528155e+00 6.829680013e+01 1.314533105e+02 2.08 2.831204295e+00 5.369934698e+01 1.049838970e+02 2.10 1.288956008e+00 4.200295865e+01 8.359713515e+01 2.12 8.612264142e-02 3.263694385e+01 6.633303624e+01 2.14 -8.515680104e-01 2.514311093e+01 5.241014348e+01 2.16 -1.582254295e+00 1.914994192e+01 4.119271263e+01 2.18 -2.151364582e+00 1.436188379e+01 3.216383400e+01 2.20 -2.594318759e+00 1.054089322e+01 2.490338564e+01 2.22 -2.938669062e+00 7.494940442e+00 1.907053363e+01 2.24 -3.205798256e+00 5.069317132e+00 1.438916332e+01 2.26 -3.412264361e+00 3.139557843e+00 1.063552794e+01 2.28 -3.570863417e+00 1.605678494e+00 7.628489977e+00 2.30 -3.691450541e+00 3.874897286e-01 5.221581478e+00 2.32 -3.781585223e+00 -5.792127576e-01 3.296519719e+00 2.34 -3.847120991e+00 -1.345737132e+00 1.757914032e+00 2.36 -3.892523616e+00 -1.952998414e+00 5.289472146e-01 2.38 -3.921232733e+00 -2.433573932e+00 -4.521457300e-01 2.40 -3.935953888e+00 -2.813352388e+00 -1.234950820e+00 2.42 -3.938758360e+00 -3.112864789e+00 -1.859355012e+00 2.44 -3.931284937e+00 -3.348356704e+00 -2.357027942e+00 2.46 -3.914857121e+00 -3.532653366e+00 -2.753170677e+00 2.48 -3.890559351e+00 -3.675871135e+00 -3.067861583e+00 2.50 -3.859288096e+00 -3.785973391e+00 -3.317132460e+00 2.52 -3.821799120e+00 -3.869220665e+00 -3.513760966e+00 2.54 -3.778743428e+00 -3.930528285e+00 -3.667911807e+00 2.56 -3.730693971e+00 -3.973725745e+00 -3.787657001e+00 2.58 -3.678165251e+00 -4.001840328e+00 -3.879397248e+00 2.60 -3.621627508e+00 -4.017265985e+00 -3.948202481e+00 2.62 -3.561516792e+00 -4.021897883e+00 -3.998086471e+00 2.64 -3.498241974e+00 -4.017245830e+00 -4.032227691e+00 2.66 -3.432189477e+00 -4.004523302e+00 -4.053146466e+00 2.68 -3.363726355e+00 -3.984716986e+00 -4.062846622e+00 2.70 -3.293157763e+00 -3.958603255e+00 -4.062882260e+00 2.72 -3.220745396e+00 -3.926827184e+00 -4.054490760e+00 2.74 -3.146799879e+00 -3.889972044e+00 -4.038711120e+00 2.76 -3.071622207e+00 -3.848545974e+00 -4.016394906e+00 2.78 -2.995498283e+00 -3.803000170e+00 -3.988249845e+00 2.80 -2.918698802e+00 -3.753742289e+00 -3.954873754e+00 2.82 -2.841464761e+00 -3.701018612e+00 -3.916753786e+00 2.84 -2.764020467e+00 -3.645066354e+00 -3.874311487e+00 2.86 -2.686589071e+00 -3.586209351e+00 -3.827947336e+00 2.88 -2.609313141e+00 -3.524753465e+00 -3.778025106e+00 2.90 -2.532225749e+00 -3.460989258e+00 -3.724880394e+00 2.92 -2.455499232e+00 -3.395193816e+00 -3.668826831e+00 2.94 -2.379299335e+00 -3.327631942e+00 -3.610160534e+00 2.96 -2.303778106e+00 -3.258556895e+00 -3.549163201e+00 2.98 -2.229070395e+00 -3.188206631e+00 -3.486104193e+00 3.00 -2.155253094e+00 -3.116786845e+00 -3.421241869e+00 3.02 -2.082423531e+00 -3.044512568e+00 -3.354824376e+00 3.04 -2.010681803e+00 -2.971591986e+00 -3.287090058e+00 3.06 -1.940116929e+00 -2.898222326e+00 -3.218267607e+00 3.08 -1.870807420e+00 -2.824589888e+00 -3.148576052e+00 3.10 -1.802821845e+00 -2.750870085e+00 -3.078215069e+00 3.12 -1.736219411e+00 -2.677227512e+00 -3.007199817e+00 3.14 -1.671050530e+00 -2.603816039e+00 -2.935646049e+00 3.16 -1.607357389e+00 -2.530778950e+00 -2.863729361e+00 3.18 -1.545174507e+00 -2.458249123e+00 -2.791615648e+00 3.20 -1.484529279e+00 -2.386349239e+00 -2.719461142e+00 3.22 -1.425442503e+00 -2.315192038e+00 -2.647412481e+00 3.24 -1.367928892e+00 -2.244880602e+00 -2.575606812e+00 3.26 -1.311997569e+00 -2.175508667e+00 -2.504171923e+00 3.28 -1.257652530e+00 -2.107160968e+00 -2.433226414e+00 3.30 -1.204893104e+00 -2.039853945e+00 -2.362879896e+00 3.32 -1.153714371e+00 -1.973565290e+00 -2.293233227e+00 3.34 -1.104107575e+00 -1.908357133e+00 -2.224378762e+00 3.36 -1.056060501e+00 -1.844285390e+00 -2.156400638e+00 3.38 -1.009557836e+00 -1.781399101e+00 -2.089375075e+00 3.40 -9.645815087e-01 -1.719740793e+00 -2.023370686e+00 3.42 -9.211110052e-01 -1.659346850e+00 -1.958448811e+00 3.44 -8.791236624e-01 -1.600247873e+00 -1.894660731e+00 3.46 -8.385949432e-01 -1.542469042e+00 -1.832037294e+00 3.48 -7.994986917e-01 -1.486030470e+00 -1.770617342e+00 3.50 -7.618073678e-01 -1.430947544e+00 -1.710436405e+00 3.52 -7.254922656e-01 -1.377231265e+00 -1.651524530e+00 3.54 -6.905237128e-01 -1.324888568e+00 -1.593906615e+00 3.56 -6.568712546e-01 -1.273922640e+00 -1.537602740e+00 3.58 -6.245038221e-01 -1.224333217e+00 -1.482628490e+00 3.60 -5.933898853e-01 -1.176116870e+00 -1.428995265e+00 3.62 -5.634975930e-01 -1.129267286e+00 -1.376710581e+00 3.64 -5.347948992e-01 -1.083775522e+00 -1.325778363e+00 3.66 -5.072496778e-01 -1.039630259e+00 -1.276199228e+00 3.68 -4.808298256e-01 -9.968180297e-01 -1.227970747e+00 3.70 -4.555033547e-01 -9.553234456e-01 -1.181087705e+00 3.72 -4.312384756e-01 -9.151294003e-01 -1.135542345e+00 3.74 -4.080036703e-01 -8.762172665e-01 -1.091324599e+00 3.76 -3.857677575e-01 -8.385670780e-01 -1.048422304e+00 3.78 -3.644999504e-01 -8.021577000e-01 -1.006821417e+00 3.80 -3.441699061e-01 -7.669669881e-01 -9.664976842e-01 3.82 -3.247477695e-01 -7.329719354e-01 -9.273826986e-01 3.84 -3.062042105e-01 -7.001488098e-01 -8.894513630e-01 3.86 -2.885104561e-01 -6.684732796e-01 -8.526863254e-01 3.88 -2.716383167e-01 -6.379205310e-01 -8.170691812e-01 3.90 -2.555602085e-01 -6.084653748e-01 -7.825806078e-01 3.92 -2.402491712e-01 -5.800823456e-01 -7.492004910e-01 3.94 -2.256788821e-01 -5.527457913e-01 -7.169080421e-01 3.96 -2.118236662e-01 -5.264299558e-01 -6.856819070e-01 3.98 -1.986585044e-01 -5.011090539e-01 -6.555002663e-01 4.00 -1.861590372e-01 -4.767573393e-01 -6.263409290e-01 4.02 -1.743015673e-01 -4.533491662e-01 -5.981814179e-01 4.04 -1.630630588e-01 -4.308590441e-01 -5.709990486e-01 4.06 -1.524211356e-01 -4.092616884e-01 -5.447710018e-01 4.08 -1.423540766e-01 -3.885320640e-01 -5.194743896e-01 4.10 -1.328408104e-01 -3.686454253e-01 -4.950863154e-01 4.12 -1.238609083e-01 -3.495773506e-01 -4.715839293e-01 4.14 -1.153945757e-01 -3.313037733e-01 -4.489444778e-01 4.16 -1.074226428e-01 -3.138010082e-01 -4.271453484e-01 4.18 -9.992655457e-02 -2.970457748e-01 -4.061641104e-01 4.20 -9.288835939e-02 -2.810152172e-01 -3.859785510e-01 4.22 -8.629069745e-02 -2.656791492e-01 -3.665667077e-01 4.24 -8.011678842e-02 -2.510079287e-01 -3.479068972e-01 4.26 -7.435041879e-02 -2.369807120e-01 -3.299777402e-01 4.28 -6.897592872e-02 -2.235771093e-01 -3.127581843e-01 4.30 -6.397819869e-02 -2.107771912e-01 -2.962275229e-01 4.32 -5.934263596e-02 -1.985614935e-01 -2.803654116e-01 4.34 -5.505500033e-02 -1.869110210e-01 -2.651518830e-01 4.36 -5.108354632e-02 -1.758072490e-01 -2.505673579e-01 4.38 -4.740252743e-02 -1.652321241e-01 -2.365926553e-01 4.40 -4.395065531e-02 -1.551680632e-01 -2.232090005e-01 4.42 -4.069358780e-02 -1.455979514e-01 -2.103980307e-01 4.44 -3.762410610e-02 -1.365051392e-01 -1.981417997e-01 4.46 -3.473523562e-02 -1.278734383e-01 -1.864227812e-01 4.48 -3.202023954e-02 -1.196871169e-01 -1.752238699e-01 4.50 -2.947249855e-02 -1.119308943e-01 -1.645283824e-01 4.52 -2.708541981e-02 -1.045899346e-01 -1.543200563e-01 4.54 -2.485322037e-02 -9.764984001e-02 -1.445830488e-01 4.56 -2.277026685e-02 -9.109664387e-02 -1.353019341e-01 4.58 -2.083103206e-02 -8.491680283e-02 -1.264617000e-01 4.60 -1.903011769e-02 -7.909718903e-02 -1.180477441e-01 4.62 -1.736227099e-02 -7.362508181e-02 -1.100458691e-01 4.64 -1.582238414e-02 -6.848815931e-02 -1.024422774e-01 4.66 -1.440540605e-02 -6.364903481e-02 -9.522356581e-02 4.68 -1.310659172e-02 -5.906126505e-02 -8.837671915e-02 4.70 -1.192139979e-02 -5.471581717e-02 -8.188910390e-02 4.72 -1.084544904e-02 -5.060422048e-02 -7.574846143e-02 4.74 -9.874518114e-03 -4.671827639e-02 -6.994290091e-02 4.76 -9.004543646e-03 -4.305005146e-02 -6.446089208e-02 4.78 -8.231617115e-03 -3.959187048e-02 -5.929125781e-02 4.80 -7.549703287e-03 -3.633630956e-02 -5.442316648e-02 4.82 -6.918396000e-03 -3.327616834e-02 -4.984612444e-02 4.84 -6.322981979e-03 -3.040438518e-02 -4.554996848e-02 4.86 -5.762172459e-03 -2.771221517e-02 -4.152174403e-02 4.88 -5.234722009e-03 -2.518100254e-02 -3.773362637e-02 4.90 -4.739427501e-03 -2.280307937e-02 -3.417422971e-02 4.92 -4.275127045e-03 -2.057306133e-02 -3.083558675e-02 4.94 -3.840698894e-03 -1.848573511e-02 -2.770998433e-02 4.96 -3.435060335e-03 -1.653599688e-02 -2.478990972e-02 4.98 -3.057166578e-03 -1.471864184e-02 -2.206787464e-02 5.00 -2.706009626e-03 -1.302909881e-02 -1.953701582e-02 5.02 -2.380617170e-03 -1.146298061e-02 -1.719071935e-02 5.04 -2.080051469e-03 -1.001599336e-02 -1.502226522e-02 5.06 -1.803408265e-03 -8.683945678e-03 -1.302540984e-02 5.08 -1.549815691e-03 -7.462755681e-03 -1.119429100e-02 5.10 -1.318433216e-03 -6.348455947e-03 -9.523149784e-03 5.12 -1.108450597e-03 -5.337196871e-03 -8.006350228e-03 5.14 -9.190868585e-04 -4.425248620e-03 -6.638394281e-03 5.16 -7.495892973e-04 -3.609001923e-03 -5.413932893e-03 5.18 -5.992325059e-04 -2.884967897e-03 -4.327773804e-03 5.20 -4.673174256e-04 -2.249777083e-03 -3.374886583e-03 5.22 -3.531704240e-04 -1.700177829e-03 -2.550405365e-03 5.24 -2.561423986e-04 -1.233034163e-03 -1.849629712e-03 5.26 -1.756079064e-04 -8.453232408e-04 -1.268023908e-03 5.28 -1.109643206e-04 -5.341324811e-04 -8.012150051e-04 5.30 -6.163101275e-05 -2.966564548e-04 -4.449898684e-04 5.32 -2.704856089e-05 -1.301936008e-04 -1.952914221e-04 5.34 -6.677983783e-06 -3.214282027e-05 -4.821429342e-05 5.36 8.221466099e-11 3.957156403e-10 5.935734607e-10 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00