# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Pt-Mo # implementation = 2017--Kim-J-S--Pt-Mo--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 Mo Mo Mo Pt Pt Pt 0.02 2.276616157e+03 8.916832752e+02 1.089998060e+04 0.04 2.160235906e+03 8.828218847e+02 1.020280507e+04 0.06 2.049347898e+03 8.715495905e+02 9.548989198e+03 0.08 1.943754064e+03 8.581849475e+02 8.935899619e+03 0.10 1.843249296e+03 8.430178773e+02 8.361059656e+03 0.12 1.747625747e+03 8.263118733e+02 7.822140149e+03 0.14 1.656675991e+03 8.083060505e+02 7.316950828e+03 0.16 1.570195315e+03 7.892170500e+02 6.843432184e+03 0.18 1.487983352e+03 7.692408072e+02 6.399647800e+03 0.20 1.409845217e+03 7.485541951e+02 5.983777132e+03 0.22 1.335592257e+03 7.273165483e+02 5.594108705e+03 0.24 1.265042530e+03 7.056710780e+02 5.229033697e+03 0.26 1.198021057e+03 6.837461833e+02 4.887039904e+03 0.28 1.134359937e+03 6.616566686e+02 4.566706042e+03 0.30 1.073898333e+03 6.395048697e+02 4.266696392e+03 0.32 1.016482383e+03 6.173816989e+02 3.985755742e+03 0.34 9.619650534e+02 5.953676116e+02 3.722704633e+03 0.36 9.102059521e+02 5.735335009e+02 3.476434880e+03 0.38 8.610711125e+02 5.519415260e+02 3.245905344e+03 0.40 8.144327648e+02 5.306458768e+02 3.030137963e+03 0.42 7.701690977e+02 5.096934818e+02 2.828214007e+03 0.44 7.281640161e+02 4.891246612e+02 2.639270549e+03 0.46 6.883069008e+02 4.689737296e+02 2.462497150e+03 0.48 6.504923701e+02 4.492695530e+02 2.297132731e+03 0.50 6.146200483e+02 4.300360609e+02 2.142462629e+03 0.52 5.805943398e+02 4.112927198e+02 1.997815829e+03 0.54 5.483242117e+02 3.930549675e+02 1.862562353e+03 0.56 5.177229835e+02 3.753346141e+02 1.736110806e+03 0.58 4.887081259e+02 3.581402100e+02 1.617906065e+03 0.60 4.612010677e+02 3.414773838e+02 1.507427102e+03 0.62 4.351270104e+02 3.253491534e+02 1.404184940e+03 0.64 4.104147520e+02 3.097562100e+02 1.307720721e+03 0.66 3.869965177e+02 2.946971797e+02 1.217603896e+03 0.68 3.648077989e+02 2.801688620e+02 1.133430521e+03 0.70 3.437871993e+02 2.661664481e+02 1.054821647e+03 0.72 3.238762881e+02 2.526837209e+02 9.814218104e+02 0.74 3.050194599e+02 2.397132367e+02 9.128976149e+02 0.76 2.871638015e+02 2.272464911e+02 8.489363919e+02 0.78 2.702589642e+02 2.152740703e+02 7.892449440e+02 0.80 2.542570429e+02 2.037857879e+02 7.335483618e+02 0.82 2.391124599e+02 1.927708098e+02 6.815889119e+02 0.84 2.247818550e+02 1.822177665e+02 6.331249904e+02 0.86 2.112239803e+02 1.721148557e+02 5.879301389e+02 0.88 1.983995994e+02 1.624499338e+02 5.457921196e+02 0.90 1.862713927e+02 1.532105989e+02 5.065120452e+02 0.92 1.748038655e+02 1.443842656e+02 4.699035612e+02 0.94 1.639632617e+02 1.359582311e+02 4.357920769e+02 0.96 1.537174805e+02 1.279197356e+02 4.040140425e+02 0.98 1.440359980e+02 1.202560147e+02 3.744162702e+02 1.00 1.348897914e+02 1.129543469e+02 3.468552949e+02 1.02 1.262512679e+02 1.060020952e+02 3.211967747e+02 1.04 1.180941956e+02 9.938674398e+01 2.973149267e+02 1.06 1.103936392e+02 9.309593068e+01 2.750919970e+02 1.08 1.031258969e+02 8.711747410e+01 2.544177629e+02 1.10 9.626844214e+01 8.143939841e+01 2.351890651e+02 1.12 8.979986649e+01 7.604995385e+01 2.173093680e+02 1.14 8.369982624e+01 7.093763428e+01 2.006883472e+02 1.16 7.794899102e+01 6.609119186e+01 1.852415017e+02 1.18 7.252899498e+01 6.149964918e+01 1.708897895e+02 1.20 6.742239027e+01 5.715230900e+01 1.575592860e+02 1.22 6.261260266e+01 5.303876192e+01 1.451808627e+02 1.24 5.808388931e+01 4.914889218e+01 1.336898855e+02 1.26 5.382129850e+01 4.547288167e+01 1.230259323e+02 1.28 4.981063123e+01 4.200121247e+01 1.131325264e+02 1.30 4.603840475e+01 3.872466803e+01 1.039568879e+02 1.32 4.249181765e+01 3.563433309e+01 9.544969918e+01 1.34 3.915871677e+01 3.272159254e+01 8.756488527e+01 1.36 3.602756555e+01 2.997812937e+01 8.025940793e+01 1.38 3.308741395e+01 2.739592167e+01 7.349307208e+01 1.40 3.032786979e+01 2.496723901e+01 6.722834443e+01 1.42 2.773907141e+01 2.268463810e+01 6.143018331e+01 1.44 2.531166172e+01 2.054095796e+01 5.606587902e+01 1.46 2.303676338e+01 1.852931453e+01 5.110490417e+01 1.48 2.090595526e+01 1.664309500e+01 4.651877328e+01 1.50 1.891124994e+01 1.487595165e+01 4.228091120e+01 1.52 1.704507235e+01 1.322179557e+01 3.836652974e+01 1.54 1.530023942e+01 1.167479006e+01 3.475251203e+01 1.56 1.366994064e+01 1.022934386e+01 3.141730417e+01 1.58 1.214771967e+01 8.880104266e+00 2.834081365e+01 1.60 1.072745673e+01 7.621950204e+00 2.550431425e+01 1.62 9.403351878e+00 6.449985143e+00 2.289035693e+01 1.64 8.169909085e+00 5.359530065e+00 2.048268634e+01 1.66 7.021921100e+00 4.346116407e+00 1.826616274e+01 1.68 5.954455007e+00 3.405479030e+00 1.622668881e+01 1.70 4.962838505e+00 2.533549250e+00 1.435114119e+01 1.72 4.042646838e+00 1.726447921e+00 1.262730647e+01 1.74 3.189690362e+00 9.804786194e-01 1.104382122e+01 1.76 2.400002712e+00 2.921209197e-01 9.590116043e+00 1.78 1.669829532e+00 -3.419762133e-01 8.256363135e+00 1.80 9.956177586e-01 -9.250009080e-01 7.033427402e+00 1.82 3.740054102e-01 -1.459984736e+00 5.912820742e+00 1.84 -1.981881260e-01 -1.949808921e+00 4.886659381e+00 1.86 -7.239713433e-01 -2.397210398e+00 3.947624057e+00 1.88 -1.206189416e+00 -2.804787725e+00 3.088922880e+00 1.90 -1.647532572e+00 -3.175006830e+00 2.304256710e+00 1.92 -2.050544051e+00 -3.510206604e+00 1.587786894e+00 1.94 -2.417627663e+00 -3.812604329e+00 9.341052059e-01 1.96 -2.751054958e+00 -4.084300951e+00 3.382058601e-01 1.98 -3.052972013e+00 -4.327286173e+00 -2.045405506e-01 2.00 -3.325405852e+00 -4.543443407e+00 -6.984113290e-01 2.02 -3.570270507e+00 -4.734554549e+00 -1.147354289e+00 2.04 -3.789372732e+00 -4.902304594e+00 -1.555008855e+00 2.06 -3.984417393e+00 -5.048286105e+00 -1.924725771e+00 2.08 -4.157012555e+00 -5.174003506e+00 -2.259585564e+00 2.10 -4.308674290e+00 -5.280877223e+00 -2.562415904e+00 2.12 -4.440831242e+00 -5.370247670e+00 -2.835807984e+00 2.14 -4.554828975e+00 -5.443379061e+00 -3.082132078e+00 2.16 -4.651934148e+00 -5.501463057e+00 -3.303552404e+00 2.18 -4.733338530e+00 -5.545622245e+00 -3.502041417e+00 2.20 -4.800162907e+00 -5.576913428e+00 -3.679393654e+00 2.22 -4.853460871e+00 -5.596330739e+00 -3.837239227e+00 2.24 -4.894222521e+00 -5.604808559e+00 -3.977057020e+00 2.26 -4.923378078e+00 -5.603224253e+00 -4.100187630e+00 2.28 -4.941801393e+00 -5.592400724e+00 -4.207846038e+00 2.30 -4.950313353e+00 -5.573108794e+00 -4.301133945e+00 2.32 -4.949685149e+00 -5.546069448e+00 -4.381051675e+00 2.34 -4.940641396e+00 -5.511955954e+00 -4.448509496e+00 2.36 -4.923863080e+00 -5.471395909e+00 -4.504338197e+00 2.38 -4.899990303e+00 -5.424973264e+00 -4.549298753e+00 2.40 -4.869624828e+00 -5.373230357e+00 -4.584090952e+00 2.42 -4.833332401e+00 -5.316670038e+00 -4.609360885e+00 2.44 -4.791644850e+00 -5.255757915e+00 -4.625707332e+00 2.46 -4.745061976e+00 -5.190924776e+00 -4.633687118e+00 2.48 -4.694053238e+00 -5.122569216e+00 -4.633819655e+00 2.50 -4.639059253e+00 -5.051060485e+00 -4.626590910e+00 2.52 -4.580493134e+00 -4.976741546e+00 -4.612457099e+00 2.54 -4.518741692e+00 -4.899932304e+00 -4.591848356e+00 2.56 -4.454166512e+00 -4.820932943e+00 -4.565172553e+00 2.58 -4.387104947e+00 -4.740027271e+00 -4.532819332e+00 2.60 -4.317871029e+00 -4.657485938e+00 -4.495164263e+00 2.62 -4.246756312e+00 -4.573569403e+00 -4.452572947e+00 2.64 -4.174030670e+00 -4.488530464e+00 -4.405404770e+00 2.66 -4.099943019e+00 -4.402616212e+00 -4.354016018e+00 2.68 -4.024721995e+00 -4.316069264e+00 -4.298762084e+00 2.70 -3.948576524e+00 -4.229128162e+00 -4.239998590e+00 2.72 -3.871696296e+00 -4.142026877e+00 -4.178081361e+00 2.74 -3.794252072e+00 -4.054993422e+00 -4.113365306e+00 2.76 -3.716395780e+00 -3.968247610e+00 -4.046202383e+00 2.78 -3.638260310e+00 -3.882018356e+00 -3.976938881e+00 2.80 -3.559958889e+00 -3.796577409e+00 -3.905912321e+00 2.82 -3.481583878e+00 -3.712176171e+00 -3.833448244e+00 2.84 -3.403204746e+00 -3.629029696e+00 -3.759857163e+00 2.86 -3.324864872e+00 -3.547314464e+00 -3.685431881e+00 2.88 -3.246576671e+00 -3.467166472e+00 -3.610445316e+00 2.90 -3.168314255e+00 -3.388679936e+00 -3.535148934e+00 2.92 -3.090002472e+00 -3.311906882e+00 -3.459771799e+00 2.94 -3.011500521e+00 -3.236857863e+00 -3.384520240e+00 2.96 -2.932577388e+00 -3.163504022e+00 -3.309578060e+00 2.98 -2.852874862e+00 -3.091780635e+00 -3.235107218e+00 3.00 -2.771851641e+00 -3.021592182e+00 -3.161248890e+00 3.02 -2.688698935e+00 -2.952818864e+00 -3.088124815e+00 3.04 -2.602214110e+00 -2.885324267e+00 -3.015838823e+00 3.06 -2.510616230e+00 -2.818963693e+00 -2.944478478e+00 3.08 -2.411292250e+00 -2.753592478e+00 -2.874116747e+00 3.10 -2.300493973e+00 -2.689073467e+00 -2.804813645e+00 3.12 -2.173108756e+00 -2.625282813e+00 -2.736617814e+00 3.14 -2.022879901e+00 -2.562113443e+00 -2.669567985e+00 3.16 -1.843886616e+00 -2.499475818e+00 -2.603694327e+00 3.18 -1.634309765e+00 -2.437296113e+00 -2.539019643e+00 3.20 -1.402088210e+00 -2.375512390e+00 -2.475560444e+00 3.22 -1.167922767e+00 -2.314069749e+00 -2.413327864e+00 3.24 -9.590249228e-01 -2.252915664e+00 -2.352328466e+00 3.26 -7.954735073e-01 -2.191996638e+00 -2.292564916e+00 3.28 -6.815344524e-01 -2.131257124e+00 -2.234036558e+00 3.30 -6.085648537e-01 -2.070641214e+00 -2.176739902e+00 3.32 -5.633671440e-01 -2.010097183e+00 -2.120669025e+00 3.34 -5.343677586e-01 -1.949584560e+00 -2.065815917e+00 3.36 -5.137464924e-01 -1.889083075e+00 -2.012170767e+00 3.38 -4.970765830e-01 -1.828602619e+00 -1.959722212e+00 3.40 -4.821909741e-01 -1.768193158e+00 -1.908457543e+00 3.42 -4.681613804e-01 -1.707953432e+00 -1.858362890e+00 3.44 -4.546377668e-01 -1.648037159e+00 -1.809423376e+00 3.46 -4.415020449e-01 -1.588655415e+00 -1.761623265e+00 3.48 -4.287160342e-01 -1.530074035e+00 -1.714946076e+00 3.50 -4.162651080e-01 -1.472605256e+00 -1.669374700e+00 3.52 -4.041405779e-01 -1.416593496e+00 -1.624891501e+00 3.54 -3.923350747e-01 -1.362396109e+00 -1.581478400e+00 3.56 -3.808415416e-01 -1.310360902e+00 -1.539116963e+00 3.58 -3.696530531e-01 -1.260802954e+00 -1.497788470e+00 3.60 -3.587627892e-01 -1.213983603e+00 -1.457473984e+00 3.62 -3.481640324e-01 -1.170094191e+00 -1.418154413e+00 3.64 -3.378501681e-01 -1.129246388e+00 -1.379810561e+00 3.66 -3.278146849e-01 -1.091469794e+00 -1.342423179e+00 3.68 -3.180511742e-01 -1.056716362e+00 -1.305973012e+00 3.70 -3.085533312e-01 -1.024870311e+00 -1.270440837e+00 3.72 -2.993149542e-01 -9.957616343e-01 -1.235807498e+00 3.74 -2.903299451e-01 -9.691812384e-01 -1.202053940e+00 3.76 -2.815923092e-01 -9.448959685e-01 -1.169161238e+00 3.78 -2.730961547e-01 -9.226622171e-01 -1.137110621e+00 3.80 -2.648356932e-01 -9.022373085e-01 -1.105883496e+00 3.82 -2.568052385e-01 -8.833883112e-01 -1.075461469e+00 3.84 -2.489992072e-01 -8.658982827e-01 -1.045826359e+00 3.86 -2.414121174e-01 -8.495701945e-01 -1.016960219e+00 3.88 -2.340385890e-01 -8.342289090e-01 -9.888453438e-01 3.90 -2.268733425e-01 -8.197216280e-01 -9.614642839e-01 3.92 -2.199111988e-01 -8.059172205e-01 -9.347998558e-01 3.94 -2.131470786e-01 -7.927047880e-01 -9.088351497e-01 3.96 -2.065760013e-01 -7.799917660e-01 -8.835535359e-01 3.98 -2.001930846e-01 -7.677017970e-01 -8.589386708e-01 4.00 -1.939935436e-01 -7.557725479e-01 -8.349745010e-01 4.02 -1.879726899e-01 -7.441535951e-01 -8.116452667e-01 4.04 -1.821259309e-01 -7.328044595e-01 -7.889355043e-01 4.06 -1.764487684e-01 -7.216928367e-01 -7.668300474e-01 4.08 -1.709367983e-01 -7.107930470e-01 -7.453140279e-01 4.10 -1.655857091e-01 -7.000847085e-01 -7.243728760e-01 4.12 -1.603912810e-01 -6.895516250e-01 -7.039923193e-01 4.14 -1.553493848e-01 -6.791808724e-01 -6.841583821e-01 4.16 -1.504559812e-01 -6.689620619e-01 -6.648573830e-01 4.18 -1.457071188e-01 -6.588867560e-01 -6.460759339e-01 4.20 -1.410989340e-01 -6.489480140e-01 -6.278009362e-01 4.22 -1.366276490e-01 -6.391400432e-01 -6.100195790e-01 4.24 -1.322895711e-01 -6.294579360e-01 -5.927193354e-01 4.26 -1.280810913e-01 -6.198974736e-01 -5.758879591e-01 4.28 -1.239986832e-01 -6.104549811e-01 -5.595134809e-01 4.30 -1.200389015e-01 -6.011272220e-01 -5.435842049e-01 4.32 -1.161983812e-01 -5.919113199e-01 -5.280887040e-01 4.34 -1.124738360e-01 -5.828047013e-01 -5.130158164e-01 4.36 -1.088620570e-01 -5.738050531e-01 -4.983546408e-01 4.38 -1.053599119e-01 -5.649102890e-01 -4.840945322e-01 4.40 -1.019643431e-01 -5.561185236e-01 -4.702250972e-01 4.42 -9.835686782e-02 -5.457459237e-01 -4.555706684e-01 4.44 -9.065501534e-02 -5.126097017e-01 -4.255852775e-01 4.46 -6.999250444e-02 -4.059070662e-01 -3.445119579e-01 4.48 -3.115859857e-02 -1.888258419e-01 -1.763637821e-01 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 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