# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2012--Mendelev-M-I-Kramer-M-J-Hao-S-G-et-al--Ni # implementation = 2012--Mendelev-M-I--Ni--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Ni Ni 0.02 4.000000000e+13 0.04 1.500000000e+13 0.06 6.666666669e+12 0.08 2.500000002e+12 0.10 3.649601172e+04 0.12 3.655547787e+04 0.14 2.772636954e+04 0.16 2.156701070e+04 0.18 1.710853995e+04 0.20 1.378815672e+04 0.22 1.125884329e+04 0.24 9.296297980e+03 0.26 7.749921624e+03 0.28 6.515405279e+03 0.30 5.518613330e+03 0.32 4.705700830e+03 0.34 4.036833178e+03 0.36 3.482070469e+03 0.38 3.018598076e+03 0.40 2.628819003e+03 0.42 2.299013477e+03 0.44 2.018380529e+03 0.46 1.778342011e+03 0.48 1.572030228e+03 0.50 1.393906038e+03 0.52 1.239470987e+03 0.54 1.105048268e+03 0.56 9.876145672e+02 0.58 8.846698365e+02 0.60 7.941356827e+02 0.62 7.142755051e+02 0.64 6.436313179e+02 0.66 5.809734599e+02 0.68 5.252603375e+02 0.70 4.756060192e+02 0.72 4.312539983e+02 0.74 3.915558512e+02 0.76 3.559537974e+02 0.78 3.239663815e+02 0.80 2.951766690e+02 0.82 2.692224720e+02 0.84 2.457882235e+02 0.86 2.245981955e+02 0.88 2.054108185e+02 0.90 1.880139034e+02 0.92 1.722206116e+02 0.94 1.578660417e+02 0.96 1.448043305e+02 0.98 1.329061817e+02 1.00 1.220567528e+02 1.02 1.121849570e+02 1.04 1.032140352e+02 1.06 9.504167168e+01 1.08 8.757887121e+01 1.10 8.074806983e+01 1.12 7.448153818e+01 1.14 6.872002890e+01 1.16 6.341162779e+01 1.18 5.851077537e+01 1.20 5.397743149e+01 1.22 4.977635985e+01 1.24 4.587651368e+01 1.26 4.225050672e+01 1.28 3.887415618e+01 1.30 3.572608683e+01 1.32 3.278738676e+01 1.34 3.004130729e+01 1.36 2.747300027e+01 1.38 2.506928756e+01 1.40 2.281845787e+01 1.42 2.071008720e+01 1.44 1.873487972e+01 1.46 1.688452618e+01 1.48 1.515157782e+01 1.50 1.352933368e+01 1.52 1.201173995e+01 1.54 1.059329980e+01 1.56 9.268992957e+00 1.58 8.034203762e+00 1.60 6.884657337e+00 1.62 5.816363002e+00 1.64 4.825564559e+00 1.66 3.908696987e+00 1.68 3.062349169e+00 1.70 2.283232315e+00 1.72 1.568153763e+00 1.74 9.139958426e-01 1.76 3.176994932e-01 1.78 -2.237477060e-01 1.80 -7.133194333e-01 1.82 -1.153954825e+00 1.84 -1.548559372e+00 1.86 -1.900002934e+00 1.88 -2.211115307e+00 1.90 -2.484680242e+00 1.92 -2.709249397e+00 1.94 -2.880434207e+00 1.96 -3.009704628e+00 1.98 -3.106348986e+00 2.00 -3.177809578e+00 2.02 -3.229979909e+00 2.04 -3.267466121e+00 2.06 -3.293815442e+00 2.08 -3.311714446e+00 2.10 -3.323159721e+00 2.12 -3.329603502e+00 2.14 -3.332076656e+00 2.16 -3.331291320e+00 2.18 -3.327725381e+00 2.20 -3.321690849e+00 2.22 -3.313388090e+00 2.24 -3.302947748e+00 2.26 -3.290462086e+00 2.28 -3.276007352e+00 2.30 -3.259658673e+00 2.32 -3.241498845e+00 2.34 -3.221622312e+00 2.36 -3.200135457e+00 2.38 -3.177154272e+00 2.40 -3.152800316e+00 2.42 -3.127195784e+00 2.44 -3.100458368e+00 2.46 -3.072696521e+00 2.48 -3.044005567e+00 2.50 -3.014465021e+00 2.52 -2.984137375e+00 2.54 -2.953068448e+00 2.56 -2.921289350e+00 2.58 -2.888819919e+00 2.60 -2.855673454e+00 2.62 -2.821862385e+00 2.64 -2.787404461e+00 2.66 -2.752328877e+00 2.68 -2.716681688e+00 2.70 -2.680529711e+00 2.72 -2.643962025e+00 2.74 -2.607088049e+00 2.76 -2.570031076e+00 2.78 -2.532916014e+00 2.80 -2.495849988e+00 2.82 -2.458897955e+00 2.84 -2.422091063e+00 2.86 -2.385453785e+00 2.88 -2.349007245e+00 2.90 -2.312769619e+00 2.92 -2.276756502e+00 2.94 -2.240981249e+00 2.96 -2.205455277e+00 2.98 -2.170188344e+00 3.00 -2.135188804e+00 3.02 -2.100463828e+00 3.04 -2.066019611e+00 3.06 -2.031861546e+00 3.08 -1.997994384e+00 3.10 -1.964422375e+00 3.12 -1.931149383e+00 3.14 -1.898178989e+00 3.16 -1.865514580e+00 3.18 -1.833159415e+00 3.20 -1.801116686e+00 3.22 -1.769389558e+00 3.24 -1.737981209e+00 3.26 -1.706894839e+00 3.28 -1.676133702e+00 3.30 -1.645701091e+00 3.32 -1.615600341e+00 3.34 -1.585834825e+00 3.36 -1.556407931e+00 3.38 -1.527323042e+00 3.40 -1.498583507e+00 3.42 -1.470192618e+00 3.44 -1.442153575e+00 3.46 -1.414469453e+00 3.48 -1.387143169e+00 3.50 -1.360177440e+00 3.52 -1.333574752e+00 3.54 -1.307337323e+00 3.56 -1.281467068e+00 3.58 -1.255965567e+00 3.60 -1.230834042e+00 3.62 -1.206073310e+00 3.64 -1.181683754e+00 3.66 -1.157665304e+00 3.68 -1.134017455e+00 3.70 -1.110739242e+00 3.72 -1.087829110e+00 3.74 -1.065285032e+00 3.76 -1.043104608e+00 3.78 -1.021284695e+00 3.80 -9.998217797e-01 3.82 -9.787119556e-01 3.84 -9.579504674e-01 3.86 -9.375326741e-01 3.88 -9.174527684e-01 3.90 -8.977053286e-01 3.92 -8.782836683e-01 3.94 -8.591817571e-01 3.96 -8.403920236e-01 3.98 -8.219081881e-01 4.00 -8.037218172e-01 4.02 -7.858264701e-01 4.04 -7.682135545e-01 4.06 -7.508754797e-01 4.08 -7.338056064e-01 4.10 -7.169941391e-01 4.12 -7.004352917e-01 4.14 -6.841217182e-01 4.16 -6.680437164e-01 4.18 -6.521970301e-01 4.20 -6.365762223e-01 4.22 -6.211699849e-01 4.24 -6.059753163e-01 4.26 -5.909924916e-01 4.28 -5.762097830e-01 4.30 -5.616198709e-01 4.32 -5.472256934e-01 4.34 -5.330331165e-01 4.36 -5.190306063e-01 4.38 -5.051980737e-01 4.40 -4.915497743e-01 4.42 -4.781016476e-01 4.44 -4.648704610e-01 4.46 -4.517701657e-01 4.48 -4.385537041e-01 4.50 -4.254360242e-01 4.52 -4.126217270e-01 4.54 -4.002694996e-01 4.56 -3.884992308e-01 4.58 -3.773981961e-01 4.60 -3.671735132e-01 4.62 -3.578684709e-01 4.64 -3.489453278e-01 4.66 -3.399860989e-01 4.68 -3.306919830e-01 4.70 -3.208614542e-01 4.72 -3.103713801e-01 4.74 -2.991608020e-01 4.76 -2.872170498e-01 4.78 -2.745638986e-01 4.80 -2.612424609e-01 4.82 -2.472399544e-01 4.84 -2.328203464e-01 4.86 -2.182699761e-01 4.88 -2.038158825e-01 4.90 -1.896354060e-01 4.92 -1.758644130e-01 4.94 -1.626043217e-01 4.96 -1.499280874e-01 4.98 -1.378852877e-01 5.00 -1.265064291e-01 5.02 -1.158065849e-01 5.04 -1.057884565e-01 5.06 -9.644494241e-02 5.08 -8.776128699e-02 5.10 -7.971687014e-02 5.12 -7.228669329e-02 5.14 -6.544260798e-02 5.16 -5.915432715e-02 5.18 -5.339025373e-02 5.20 -4.811815593e-02 5.22 -4.330571406e-02 5.24 -3.892096019e-02 5.26 -3.493262831e-02 5.28 -3.131042998e-02 5.30 -2.802526780e-02 5.32 -2.504939714e-02 5.34 -2.235654435e-02 5.36 -1.992198874e-02 5.38 -1.772261369e-02 5.40 -1.573693172e-02 5.42 -1.394508716e-02 5.44 -1.232883940e-02 5.46 -1.087152937e-02 5.48 -9.558031109e-03 5.50 -8.374690247e-03 5.52 -7.309250886e-03 5.54 -6.350772190e-03 5.56 -5.489536000e-03 5.58 -4.716946694e-03 5.60 -4.025424602e-03 5.62 -3.408294323e-03 5.64 -2.859669408e-03 5.66 -2.374335029e-03 5.68 -1.947630387e-03 5.70 -1.575332810e-03 5.72 -1.253545677e-03 5.74 -9.785925306e-04 5.76 -7.469199249e-04 5.78 -5.550118099e-04 5.80 -3.993184702e-04 5.82 -2.762032665e-04 5.84 -1.819106689e-04 5.86 -1.125593059e-04 5.88 -6.416399100e-05 5.90 -3.269092669e-05 5.92 -1.415052315e-05 5.94 -4.732505872e-06 5.96 -9.882227851e-07 5.98 -6.529628353e-08 6.00 0.000000000e+00 6.02 0.000000000e+00 6.04 0.000000000e+00 6.06 0.000000000e+00 6.08 0.000000000e+00 6.10 0.000000000e+00 6.12 0.000000000e+00 6.14 0.000000000e+00 6.16 0.000000000e+00 6.18 0.000000000e+00 6.20 0.000000000e+00 6.22 0.000000000e+00 6.24 0.000000000e+00 6.26 0.000000000e+00 6.28 0.000000000e+00 6.30 0.000000000e+00 6.32 0.000000000e+00 6.34 0.000000000e+00 6.36 0.000000000e+00 6.38 0.000000000e+00 6.40 0.000000000e+00 6.42 0.000000000e+00 6.44 0.000000000e+00 6.46 0.000000000e+00 6.48 0.000000000e+00 6.50 0.000000000e+00 6.52 0.000000000e+00 6.54 0.000000000e+00 6.56 0.000000000e+00 6.58 0.000000000e+00 6.60 0.000000000e+00 6.62 0.000000000e+00 6.64 0.000000000e+00 6.66 0.000000000e+00 6.68 0.000000000e+00 6.70 0.000000000e+00 6.72 0.000000000e+00 6.74 0.000000000e+00 6.76 0.000000000e+00 6.78 0.000000000e+00 6.80 0.000000000e+00 6.82 0.000000000e+00 6.84 0.000000000e+00 6.86 0.000000000e+00 6.88 0.000000000e+00 6.90 0.000000000e+00 6.92 0.000000000e+00 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 7.28 0.000000000e+00 7.30 0.000000000e+00 7.32 0.000000000e+00 7.34 0.000000000e+00 7.36 0.000000000e+00 7.38 0.000000000e+00 7.40 0.000000000e+00 7.42 0.000000000e+00 7.44 0.000000000e+00 7.46 0.000000000e+00 7.48 0.000000000e+00 7.50 0.000000000e+00 7.52 0.000000000e+00 7.54 0.000000000e+00 7.56 0.000000000e+00 7.58 0.000000000e+00 7.60 0.000000000e+00 7.62 0.000000000e+00 7.64 0.000000000e+00 7.66 0.000000000e+00 7.68 0.000000000e+00 7.70 0.000000000e+00 7.72 0.000000000e+00 7.74 0.000000000e+00 7.76 0.000000000e+00 7.78 0.000000000e+00 7.80 0.000000000e+00 7.82 0.000000000e+00 7.84 0.000000000e+00 7.86 0.000000000e+00 7.88 0.000000000e+00 7.90 0.000000000e+00 7.92 0.000000000e+00 7.94 0.000000000e+00 7.96 0.000000000e+00 7.98 0.000000000e+00 8.00 0.000000000e+00 8.02 0.000000000e+00 8.04 0.000000000e+00 8.06 0.000000000e+00 8.08 0.000000000e+00 8.10 0.000000000e+00 8.12 0.000000000e+00 8.14 0.000000000e+00 8.16 0.000000000e+00 8.18 0.000000000e+00 8.20 0.000000000e+00 8.22 0.000000000e+00 8.24 0.000000000e+00 8.26 0.000000000e+00 8.28 0.000000000e+00 8.30 0.000000000e+00 8.32 0.000000000e+00 8.34 0.000000000e+00 8.36 0.000000000e+00 8.38 0.000000000e+00 8.40 0.000000000e+00 8.42 0.000000000e+00 8.44 0.000000000e+00 8.46 0.000000000e+00 8.48 0.000000000e+00 8.50 0.000000000e+00 8.52 0.000000000e+00 8.54 0.000000000e+00 8.56 0.000000000e+00 8.58 0.000000000e+00 8.60 0.000000000e+00 8.62 0.000000000e+00 8.64 0.000000000e+00 8.66 0.000000000e+00 8.68 0.000000000e+00 8.70 0.000000000e+00 8.72 0.000000000e+00 8.74 0.000000000e+00 8.76 0.000000000e+00 8.78 0.000000000e+00 8.80 0.000000000e+00 8.82 0.000000000e+00 8.84 0.000000000e+00 8.86 0.000000000e+00 8.88 0.000000000e+00 8.90 0.000000000e+00 8.92 0.000000000e+00 8.94 0.000000000e+00 8.96 0.000000000e+00 8.98 0.000000000e+00 9.00 0.000000000e+00 9.02 0.000000000e+00 9.04 0.000000000e+00 9.06 0.000000000e+00 9.08 0.000000000e+00 9.10 0.000000000e+00 9.12 0.000000000e+00 9.14 0.000000000e+00 9.16 0.000000000e+00 9.18 0.000000000e+00 9.20 0.000000000e+00 9.22 0.000000000e+00 9.24 0.000000000e+00 9.26 0.000000000e+00 9.28 0.000000000e+00 9.30 0.000000000e+00 9.32 0.000000000e+00 9.34 0.000000000e+00 9.36 0.000000000e+00 9.38 0.000000000e+00 9.40 0.000000000e+00 9.42 0.000000000e+00 9.44 0.000000000e+00 9.46 0.000000000e+00 9.48 0.000000000e+00 9.50 0.000000000e+00 9.52 0.000000000e+00 9.54 0.000000000e+00 9.56 0.000000000e+00 9.58 0.000000000e+00 9.60 0.000000000e+00 9.62 0.000000000e+00 9.64 0.000000000e+00 9.66 0.000000000e+00 9.68 0.000000000e+00 9.70 0.000000000e+00 9.72 0.000000000e+00 9.74 0.000000000e+00 9.76 0.000000000e+00 9.78 0.000000000e+00 9.80 0.000000000e+00 9.82 0.000000000e+00 9.84 0.000000000e+00 9.86 0.000000000e+00 9.88 0.000000000e+00 9.90 0.000000000e+00 9.92 0.000000000e+00 9.94 0.000000000e+00 9.96 0.000000000e+00 9.98 0.000000000e+00 10.00 0.000000000e+00