# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2022--Mahata-A-Mukhopadhyay-T-Asle-Zaeem-M--Al-Ni # implementation = 2022--Mahata-A--Al-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 Al Al Al Ni Ni Ni 0.02 5.802651535e+02 2.183674725e+05 4.627345371e+05 0.04 5.504132675e+02 9.286704982e+04 1.942321005e+05 0.06 5.220240139e+02 5.360396260e+04 1.108703931e+05 0.08 4.950279876e+02 3.525586167e+04 7.219015693e+04 0.10 4.693590031e+02 2.497418564e+04 5.065473843e+04 0.12 4.449539474e+02 1.856571784e+04 3.731360603e+04 0.14 4.217526393e+02 1.427976795e+04 2.844467629e+04 0.16 3.996976955e+02 1.126604294e+04 2.224638906e+04 0.18 3.787344026e+02 9.066157664e+03 1.775028035e+04 0.20 3.588105947e+02 7.413200551e+03 1.439375147e+04 0.22 3.398765365e+02 6.142228775e+03 1.182987521e+04 0.24 3.218848123e+02 5.146382804e+03 9.834379230e+03 0.26 3.047902194e+02 4.353729992e+03 8.256657421e+03 0.28 2.885496664e+02 3.714297169e+03 6.992369946e+03 0.30 2.731220766e+02 3.192442954e+03 5.967337347e+03 0.32 2.584682951e+02 2.762178774e+03 5.127664705e+03 0.34 2.445510007e+02 2.404193703e+03 4.433464026e+03 0.36 2.313346215e+02 2.103903668e+03 3.854739840e+03 0.38 2.187852545e+02 1.850137774e+03 3.368620542e+03 0.40 2.068705885e+02 1.634232620e+03 2.957451708e+03 0.42 1.955598310e+02 1.449394867e+03 2.607456219e+03 0.44 1.848236384e+02 1.290244626e+03 2.307776383e+03 0.46 1.746340484e+02 1.152483094e+03 2.049778415e+03 0.48 1.649644173e+02 1.032647153e+03 1.826540337e+03 0.50 1.557893583e+02 9.279258617e+02 1.632470264e+03 0.52 1.470846838e+02 8.360217225e+02 1.463018834e+03 0.54 1.388273499e+02 7.550446970e+02 1.314460336e+03 0.56 1.309954036e+02 6.834304650e+02 1.183724561e+03 0.58 1.235679320e+02 6.198768635e+02 1.068266585e+03 0.60 1.165250145e+02 5.632940799e+02 9.659651502e+02 0.62 1.098476765e+02 5.127653348e+02 8.750427785e+02 0.64 1.035178461e+02 4.675156289e+02 7.940025447e+02 0.66 9.751831121e+01 4.268867595e+02 7.215777364e+02 0.68 9.183268076e+01 3.903172280e+02 6.566915376e+02 0.70 8.644534581e+01 3.573259867e+02 5.984245479e+02 0.72 8.134144349e+01 3.274992261e+02 5.459884788e+02 0.74 7.650682226e+01 3.004795828e+02 4.987047522e+02 0.76 7.192800878e+01 2.759572822e+02 4.559869987e+02 0.78 6.759217637e+01 2.536628328e+02 4.173266722e+02 0.80 6.348711482e+01 2.333609787e+02 3.822811811e+02 0.82 5.960120172e+01 2.148456713e+02 3.504640518e+02 0.84 5.592337497e+01 1.979358714e+02 3.215367405e+02 0.86 5.244310668e+01 1.824720309e+02 2.952017887e+02 0.88 4.915037813e+01 1.683131332e+02 2.711970825e+02 0.90 4.603565607e+01 1.553341958e+02 2.492910193e+02 0.92 4.308986994e+01 1.434241532e+02 2.292784195e+02 0.94 4.030439020e+01 1.324840574e+02 2.109770596e+02 0.96 3.767100772e+01 1.224255434e+02 1.942247219e+02 0.98 3.518191403e+01 1.131695160e+02 1.788766734e+02 1.00 3.282968254e+01 1.046450221e+02 1.648035058e+02 1.02 3.060725059e+01 9.678828012e+01 1.518872831e+02 1.04 2.850790233e+01 8.954184147e+01 1.394605580e+02 1.06 2.652525247e+01 8.285386439e+01 1.272029566e+02 1.08 2.465323063e+01 7.667748288e+01 1.153743720e+02 1.10 2.288606655e+01 7.097025729e+01 1.041442024e+02 1.12 2.121827593e+01 6.569369437e+01 9.361539282e+01 1.14 1.964464689e+01 6.081282682e+01 8.384180616e+01 1.16 1.816022711e+01 5.629584428e+01 7.484163250e+01 1.18 1.676031152e+01 5.211376860e+01 6.660768428e+01 1.20 1.544043062e+01 4.824016729e+01 5.911525025e+01 1.22 1.419633924e+01 4.465090011e+01 5.232803870e+01 1.24 1.302400590e+01 4.132389449e+01 4.620262958e+01 1.26 1.191960263e+01 3.823894936e+01 4.069176909e+01 1.28 1.087949524e+01 3.538431835e+01 3.574676933e+01 1.30 9.900234087e+00 3.277415097e+01 3.131921925e+01 1.32 8.978545211e+00 3.038538386e+01 2.736217005e+01 1.34 8.111321908e+00 2.819123226e+01 2.383092212e+01 1.36 7.295616681e+00 2.616755680e+01 2.068351321e+01 1.38 6.528633560e+00 2.429305002e+01 1.788098521e+01 1.40 5.807720779e+00 2.254922906e+01 1.538748975e+01 1.42 5.130363779e+00 2.092030051e+01 1.317027842e+01 1.44 4.494178539e+00 1.939294612e+01 1.119961299e+01 1.46 3.896905206e+00 1.795606523e+01 9.448622690e+00 1.48 3.336402021e+00 1.660049923e+01 7.893128297e+00 1.50 2.810639522e+00 1.531875600e+01 6.511447994e+00 1.52 2.317695009e+00 1.410474652e+01 5.284195880e+00 1.54 1.855747266e+00 1.295354124e+01 4.194080994e+00 1.56 1.423071525e+00 1.186115058e+01 3.225712036e+00 1.58 1.018034656e+00 1.082433150e+01 2.365411409e+00 1.60 6.390905862e-01 9.840420615e+00 1.601040889e+00 1.62 2.847759248e-01 8.907192904e+00 9.218401263e-01 1.64 -4.629421021e-02 8.022744278e+00 3.182783356e-01 1.66 -3.554301701e-01 7.185396075e+00 -2.180807247e-01 1.68 -6.438715698e-01 6.393619042e+00 -6.947008891e-01 1.70 -9.127909046e-01 5.645974383e+00 -1.118183506e+00 1.72 -1.163296999e+00 4.941069508e+00 -1.494365942e+00 1.74 -1.396438295e+00 4.277526185e+00 -1.828409475e+00 1.76 -1.613205978e+00 3.653958994e+00 -2.124877467e+00 1.78 -1.814536965e+00 3.068962166e+00 -2.387804758e+00 1.80 -2.001316743e+00 2.521103099e+00 -2.620759111e+00 1.82 -2.174382075e+00 2.008921051e+00 -2.826895501e+00 1.84 -2.334523570e+00 1.530929721e+00 -3.009004042e+00 1.86 -2.482488139e+00 1.085622640e+00 -3.169552263e+00 1.88 -2.618981318e+00 6.714804335e-01 -3.310722356e+00 1.90 -2.744669487e+00 2.869792241e-01 -3.434443990e+00 1.92 -2.860181977e+00 -6.940043852e-02 -3.542423227e+00 1.94 -2.966113065e+00 -3.991645851e-01 -3.636168013e+00 1.96 -3.063023883e+00 -7.037971437e-01 -3.717010659e+00 1.98 -3.151444213e+00 -9.847518275e-01 -3.786127695e+00 2.00 -3.231874208e+00 -1.243444783e+00 -3.844557438e+00 2.02 -3.304786012e+00 -1.481248116e+00 -3.893217436e+00 2.04 -3.370625302e+00 -1.699484367e+00 -3.932937418e+00 2.06 -3.429812749e+00 -1.899421949e+00 -3.964485935e+00 2.08 -3.482745405e+00 -2.082271549e+00 -3.988575846e+00 2.10 -3.529798010e+00 -2.249183450e+00 -4.005867712e+00 2.12 -3.571324238e+00 -2.401245712e+00 -4.016973033e+00 2.14 -3.607657871e+00 -2.539483160e+00 -4.022457330e+00 2.16 -3.639113912e+00 -2.664857094e+00 -4.022843072e+00 2.18 -3.665989636e+00 -2.778265638e+00 -4.018612467e+00 2.20 -3.688565588e+00 -2.880544658e+00 -4.010210118e+00 2.22 -3.707106523e+00 -2.972469172e+00 -3.998045537e+00 2.24 -3.721862291e+00 -3.054755160e+00 -3.982495540e+00 2.26 -3.733068684e+00 -3.128061736e+00 -3.963906514e+00 2.28 -3.740948223e+00 -3.192995392e+00 -3.942596559e+00 2.30 -3.745710910e+00 -3.250121143e+00 -3.918857522e+00 2.32 -3.747554936e+00 -3.299969163e+00 -3.892956907e+00 2.34 -3.746667345e+00 -3.343036988e+00 -3.865139680e+00 2.36 -3.743224666e+00 -3.379791462e+00 -3.835629966e+00 2.38 -3.737393507e+00 -3.410670565e+00 -3.804632639e+00 2.40 -3.729331114e+00 -3.436085158e+00 -3.772334818e+00 2.42 -3.719185901e+00 -3.456420608e+00 -3.738907257e+00 2.44 -3.707097944e+00 -3.472038342e+00 -3.704505651e+00 2.46 -3.693199456e+00 -3.483277290e+00 -3.669271847e+00 2.48 -3.677615226e+00 -3.490455259e+00 -3.633334971e+00 2.50 -3.660463038e+00 -3.493870218e+00 -3.596812477e+00 2.52 -3.641854062e+00 -3.493801510e+00 -3.559811113e+00 2.54 -3.621893228e+00 -3.490510988e+00 -3.522427821e+00 2.56 -3.600679571e+00 -3.484244084e+00 -3.484750562e+00 2.58 -3.578306564e+00 -3.475230812e+00 -3.446859078e+00 2.60 -3.554862424e+00 -3.463686712e+00 -3.408825597e+00 2.62 -3.530430410e+00 -3.449813730e+00 -3.370715474e+00 2.64 -3.505089093e+00 -3.433801052e+00 -3.332587787e+00 2.66 -3.478912616e+00 -3.415825877e+00 -3.294495878e+00 2.68 -3.451970944e+00 -3.396054151e+00 -3.256487849e+00 2.70 -3.424330087e+00 -3.374641246e+00 -3.218607018e+00 2.72 -3.396052323e+00 -3.351732606e+00 -3.180892335e+00 2.74 -3.367196401e+00 -3.327464347e+00 -3.143378762e+00 2.76 -3.337817733e+00 -3.301963822e+00 -3.106097617e+00 2.78 -3.307968578e+00 -3.275350146e+00 -3.069076895e+00 2.80 -3.277698214e+00 -3.247734701e+00 -3.032341554e+00 2.82 -3.247053096e+00 -3.219221594e+00 -2.995913776e+00 2.84 -3.216077016e+00 -3.189908099e+00 -2.959813213e+00 2.86 -3.184811240e+00 -3.159885067e+00 -2.924057202e+00 2.88 -3.153294649e+00 -3.129237308e+00 -2.888660965e+00 2.90 -3.121563864e+00 -3.098043958e+00 -2.853637791e+00 2.92 -3.089653371e+00 -3.066378816e+00 -2.818999205e+00 2.94 -3.057595631e+00 -3.034310665e+00 -2.784755116e+00 2.96 -3.025421193e+00 -3.001903572e+00 -2.750913959e+00 2.98 -2.993158792e+00 -2.969217170e+00 -2.717482817e+00 3.00 -2.960835449e+00 -2.936306925e+00 -2.684467544e+00 3.02 -2.928476558e+00 -2.903224385e+00 -2.651872863e+00 3.04 -2.896105976e+00 -2.870017414e+00 -2.619702469e+00 3.06 -2.863746104e+00 -2.836730417e+00 -2.587959114e+00 3.08 -2.831417960e+00 -2.803404544e+00 -2.556644691e+00 3.10 -2.799141259e+00 -2.770077891e+00 -2.525760306e+00 3.12 -2.766934475e+00 -2.736785681e+00 -2.495306351e+00 3.14 -2.734814910e+00 -2.703560437e+00 -2.465282562e+00 3.16 -2.702798756e+00 -2.670432152e+00 -2.435688079e+00 3.18 -2.670901151e+00 -2.637428437e+00 -2.406521500e+00 3.20 -2.639136237e+00 -2.604574673e+00 -2.377780931e+00 3.22 -2.607517210e+00 -2.571894142e+00 -2.349464029e+00 3.24 -2.576056373e+00 -2.539408159e+00 -2.321568043e+00 3.26 -2.544765178e+00 -2.507136197e+00 -2.294089859e+00 3.28 -2.513654275e+00 -2.475095998e+00 -2.267026026e+00 3.30 -2.482733554e+00 -2.443303682e+00 -2.240372796e+00 3.32 -2.452012182e+00 -2.411773850e+00 -2.214126154e+00 3.34 -2.421498644e+00 -2.380519683e+00 -2.188281841e+00 3.36 -2.391200778e+00 -2.349553029e+00 -2.162835387e+00 3.38 -2.361125808e+00 -2.318884488e+00 -2.137782129e+00 3.40 -2.331280380e+00 -2.288523498e+00 -2.113117238e+00 3.42 -2.301670587e+00 -2.258478407e+00 -2.088835736e+00 3.44 -2.272302005e+00 -2.228756546e+00 -2.064932518e+00 3.46 -2.243179716e+00 -2.199364297e+00 -2.041402368e+00 3.48 -2.214308334e+00 -2.170307155e+00 -2.018239978e+00 3.50 -2.185692035e+00 -2.141589791e+00 -1.995439957e+00 3.52 -2.157334576e+00 -2.113216106e+00 -1.972996854e+00 3.54 -2.129239318e+00 -2.085189288e+00 -1.950905164e+00 3.56 -2.101409250e+00 -2.057511858e+00 -1.929159342e+00 3.58 -2.073847008e+00 -2.030185719e+00 -1.907753817e+00 3.60 -2.046554892e+00 -2.003212202e+00 -1.886682997e+00 3.62 -2.019534890e+00 -1.976592105e+00 -1.865941285e+00 3.64 -1.992788689e+00 -1.950325736e+00 -1.845523081e+00 3.66 -1.966317697e+00 -1.924412947e+00 -1.825422795e+00 3.68 -1.940123054e+00 -1.898853172e+00 -1.805634853e+00 3.70 -1.914205654e+00 -1.873645457e+00 -1.786153703e+00 3.72 -1.888566149e+00 -1.848788492e+00 -1.766973823e+00 3.74 -1.863204972e+00 -1.824280640e+00 -1.748089724e+00 3.76 -1.838122346e+00 -1.800119965e+00 -1.729495959e+00 3.78 -1.813318295e+00 -1.776304256e+00 -1.711187125e+00 3.80 -1.788792660e+00 -1.752831052e+00 -1.693157869e+00 3.82 -1.764545102e+00 -1.729697667e+00 -1.675402889e+00 3.84 -1.740575124e+00 -1.706901204e+00 -1.657916942e+00 3.86 -1.716882071e+00 -1.684438583e+00 -1.640694845e+00 3.88 -1.693465144e+00 -1.662306554e+00 -1.623731476e+00 3.90 -1.670323408e+00 -1.640501717e+00 -1.607021782e+00 3.92 -1.647455801e+00 -1.619020538e+00 -1.590560775e+00 3.94 -1.624861145e+00 -1.597859363e+00 -1.574343538e+00 3.96 -1.602538146e+00 -1.577014432e+00 -1.558365226e+00 3.98 -1.580485411e+00 -1.556481895e+00 -1.542621066e+00 4.00 -1.558700614e+00 -1.536257016e+00 -1.527105567e+00 4.02 -1.536965824e+00 -1.516126780e+00 -1.511606981e+00 4.04 -1.513892229e+00 -1.494747096e+00 -1.494787380e+00 4.06 -1.486517039e+00 -1.469252273e+00 -1.473777078e+00 4.08 -1.450365807e+00 -1.435308161e+00 -1.444203879e+00 4.10 -1.399507841e+00 -1.387145061e+00 -1.400199001e+00 4.12 -1.326597522e+00 -1.317552768e+00 -1.334358868e+00 4.14 -1.222971124e+00 -1.217893851e+00 -1.237716049e+00 4.16 -1.079034920e+00 -1.078360475e+00 -1.099947415e+00 4.18 -8.855834768e-01 -8.891202178e-01 -9.104871107e-01 4.20 -6.376805978e-01 -6.440439140e-01 -6.623149100e-01 4.22 -3.455430703e-01 -3.516829451e-01 -3.633301015e-01 4.24 -6.815776633e-02 -7.012228870e-02 -7.282884391e-02 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 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