# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2020--Jeong-G-U-Lee-B-J--Pt-C # implementation = 2020--Jeong-G-U--Pt-C--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 C C C Pt Pt Pt 0.02 8.896287171e+02 1.094879396e+04 1.089998050e+04 0.04 8.240681220e+02 1.019906260e+04 1.020280498e+04 0.06 7.628903736e+02 9.495925339e+03 9.548989104e+03 0.08 7.058142735e+02 8.836968773e+03 8.935899522e+03 0.10 6.525767129e+02 8.219844855e+03 8.361059555e+03 0.12 6.029315028e+02 7.642277971e+03 7.822140043e+03 0.14 5.566482770e+02 7.102070354e+03 7.316950716e+03 0.16 5.135114625e+02 6.597106047e+03 6.843432063e+03 0.18 4.733193147e+02 6.125353617e+03 6.399647668e+03 0.20 4.358830130e+02 5.684867773e+03 5.983776987e+03 0.22 4.010258138e+02 5.273790067e+03 5.594108544e+03 0.24 3.685822577e+02 4.890348789e+03 5.229033518e+03 0.26 3.383974277e+02 4.532858205e+03 4.887039703e+03 0.28 3.103262561e+02 4.199717227e+03 4.566705817e+03 0.30 2.842328768e+02 3.889407628e+03 4.266696137e+03 0.32 2.599900199e+02 3.600491883e+03 3.985755454e+03 0.34 2.374784482e+02 3.331610714e+03 3.722704308e+03 0.36 2.165864299e+02 3.081480410e+03 3.476434511e+03 0.38 1.972092492e+02 2.848889985e+03 3.245904926e+03 0.40 1.792487489e+02 2.632698216e+03 3.030137490e+03 0.42 1.626129054e+02 2.431830622e+03 2.828213471e+03 0.44 1.472154335e+02 2.245276410e+03 2.639269943e+03 0.46 1.329754183e+02 2.072085427e+03 2.462496466e+03 0.48 1.198169735e+02 1.911365147e+03 2.297131959e+03 0.50 1.076689242e+02 1.762277708e+03 2.142461759e+03 0.52 9.646451185e+01 1.624037028e+03 1.997814850e+03 0.54 8.614112019e+01 1.495906002e+03 1.862561254e+03 0.56 7.664002148e+01 1.377193800e+03 1.736109573e+03 0.58 6.790614022e+01 1.267253268e+03 1.617904684e+03 0.60 5.988783408e+01 1.165478437e+03 1.507425559e+03 0.62 5.253669032e+01 1.071302150e+03 1.404183217e+03 0.64 4.580733658e+01 9.841937898e+02 1.307718800e+03 0.66 3.965726490e+01 9.036571349e+02 1.217601760e+03 0.68 3.404666786e+01 8.292283099e+02 1.133428148e+03 0.70 2.893828566e+01 7.604738524e+02 1.054819014e+03 0.72 2.429726324e+01 6.969888810e+02 9.814188955e+02 0.74 2.009101633e+01 6.383953625e+02 9.128943922e+02 0.76 1.628910531e+01 5.843404758e+02 8.489328343e+02 0.78 1.286311596e+01 5.344950663e+02 7.892410226e+02 0.80 9.786545914e+00 4.885521876e+02 7.335440460e+02 0.82 7.034695672e+00 4.462257252e+02 6.815841689e+02 0.84 4.584562976e+00 4.072490983e+02 6.331197854e+02 0.86 2.414739166e+00 3.713740363e+02 5.879244350e+02 0.88 5.053060939e-01 3.383694244e+02 5.457858776e+02 0.90 -1.162267974e+00 3.080202158e+02 5.065052237e+02 0.92 -2.605235178e+00 2.801264066e+02 4.698961163e+02 0.94 -3.839679392e+00 2.545020696e+02 4.357839621e+02 0.96 -4.880633905e+00 2.309744449e+02 4.040052091e+02 0.98 -5.742207240e+00 2.093830820e+02 3.744066664e+02 1.00 -6.437718678e+00 1.895790340e+02 3.468448665e+02 1.02 -6.979844617e+00 1.714240975e+02 3.211854645e+02 1.04 -7.380776107e+00 1.547900988e+02 2.973026746e+02 1.06 -7.652386706e+00 1.395582219e+02 2.750787399e+02 1.08 -7.806408058e+00 1.256183769e+02 2.544034346e+02 1.10 -7.854608268e+00 1.128686074e+02 2.351735960e+02 1.12 -7.808965229e+00 1.012145328e+02 2.172926854e+02 1.14 -7.681823621e+00 9.056882625e+01 2.006703750e+02 1.16 -7.486020755e+00 8.085072378e+01 1.852221603e+02 1.18 -7.234963131e+00 7.198556506e+01 1.708689956e+02 1.20 -6.942633516e+00 6.390436281e+01 1.575369529e+02 1.22 -6.623508357e+00 5.654339969e+01 1.451568996e+02 1.24 -6.292368649e+00 4.984385129e+01 1.336641981e+02 1.26 -5.963994893e+00 4.375143348e+01 1.229984220e+02 1.28 -5.652748793e+00 3.821607303e+01 1.131030909e+02 1.30 -5.372060365e+00 3.319159998e+01 1.039254208e+02 1.32 -5.133857132e+00 2.863546062e+01 9.541608971e+01 1.34 -4.947988893e+00 2.450844983e+01 8.752901869e+01 1.36 -4.821713076e+00 2.077446168e+01 8.022116515e+01 1.38 -4.759308008e+00 1.740025714e+01 7.345232976e+01 1.40 -4.761872110e+00 1.435524794e+01 6.718497494e+01 1.42 -4.827346120e+00 1.161129555e+01 6.138405473e+01 1.44 -4.950766219e+00 9.142524323e+00 5.601685518e+01 1.46 -5.124723988e+00 6.925147995e+00 5.105284470e+01 1.48 -5.339981210e+00 4.937308586e+00 4.646353373e+01 1.50 -5.586169281e+00 3.158926998e+00 4.222234316e+01 1.52 -5.852497610e+00 1.571564498e+00 3.830448103e+01 1.54 -6.128402570e+00 1.582943916e-01 3.468682697e+01 1.56 -6.404085343e+00 -1.096416804e+00 3.134782386e+01 1.58 -6.670908649e+00 -2.206819312e+00 2.826737639e+01 1.60 -6.921644038e+00 -3.185981793e+00 2.542675602e+01 1.62 -7.150579549e+00 -4.045885339e+00 2.280851196e+01 1.64 -7.353509901e+00 -4.797510316e+00 2.039638786e+01 1.66 -7.527637734e+00 -5.450916548e+00 1.817524381e+01 1.68 -7.671415522e+00 -6.015317321e+00 1.613098332e+01 1.70 -7.784355082e+00 -6.499147647e+00 1.425048509e+01 1.72 -7.866826761e+00 -6.910127212e+00 1.252153910e+01 1.74 -7.919864694e+00 -7.255318387e+00 1.093278700e+01 1.76 -7.944989065e+00 -7.541179679e+00 9.473666274e+00 1.78 -7.944051516e+00 -7.773614955e+00 8.134358170e+00 1.80 -7.919106218e+00 -7.958018758e+00 6.905739081e+00 1.82 -7.872306404e+00 -8.099318012e+00 5.779335154e+00 1.84 -7.805824485e+00 -8.202010400e+00 4.747279970e+00 1.86 -7.721792872e+00 -8.270199652e+00 3.802275077e+00 1.88 -7.622262251e+00 -8.307628002e+00 2.937553225e+00 1.90 -7.509174010e+00 -8.317706026e+00 2.146844092e+00 1.92 -7.384343777e+00 -8.303540052e+00 1.424342367e+00 1.94 -7.249453352e+00 -8.267957357e+00 7.646779908e-01 1.96 -7.106048787e+00 -8.213529298e+00 1.628884120e-01 1.98 -6.955542729e+00 -8.142592551e+00 -3.856073279e-01 2.00 -6.799219608e+00 -8.057268593e+00 -8.850328433e-01 2.02 -6.638242535e+00 -7.959481567e+00 -1.339277165e+00 2.04 -6.473661124e+00 -7.850974309e+00 -1.751916190e+00 2.06 -6.306419659e+00 -7.733298138e+00 -2.126233008e+00 2.08 -6.137365227e+00 -7.607816107e+00 -2.465237276e+00 2.10 -5.967255573e+00 -7.475762332e+00 -2.771683833e+00 2.12 -5.796766554e+00 -7.338255830e+00 -3.048090711e+00 2.14 -5.626499104e+00 -7.196308425e+00 -3.296756695e+00 2.16 -5.456985708e+00 -7.050831704e+00 -3.519778543e+00 2.18 -5.288696380e+00 -6.902642925e+00 -3.719067930e+00 2.20 -5.122044178e+00 -6.752469693e+00 -3.896368138e+00 2.22 -4.957390270e+00 -6.600953112e+00 -4.053270406e+00 2.24 -4.795048605e+00 -6.448648904e+00 -4.191229815e+00 2.26 -4.635290202e+00 -6.296025703e+00 -4.311580487e+00 2.28 -4.478347096e+00 -6.143459196e+00 -4.415549812e+00 2.30 -4.324415967e+00 -5.991219981e+00 -4.504271396e+00 2.32 -4.173661475e+00 -5.839451633e+00 -4.578796422e+00 2.34 -4.026219325e+00 -5.688133312e+00 -4.640103194e+00 2.36 -3.882199084e+00 -5.537017828e+00 -4.689104729e+00 2.38 -3.741686762e+00 -5.385531323e+00 -4.726654460e+00 2.40 -3.604747186e+00 -5.232615660e+00 -4.753550276e+00 2.42 -3.471426171e+00 -5.076495366e+00 -4.770537323e+00 2.44 -3.341752517e+00 -4.914378722e+00 -4.778310128e+00 2.46 -3.215739827e+00 -4.742215818e+00 -4.777514637e+00 2.48 -3.093388178e+00 -4.554947004e+00 -4.768750745e+00 2.50 -2.974685646e+00 -4.348215108e+00 -4.752575698e+00 2.52 -2.859609698e+00 -4.122567926e+00 -4.729508558e+00 2.54 -2.748128460e+00 -3.888577290e+00 -4.700035620e+00 2.56 -2.640201878e+00 -3.666279151e+00 -4.664616476e+00 2.58 -2.535782772e+00 -3.474812495e+00 -4.623690210e+00 2.60 -2.434817792e+00 -3.321541336e+00 -4.577681181e+00 2.62 -2.337248292e+00 -3.201717034e+00 -4.527003861e+00 2.64 -2.243011117e+00 -3.105514155e+00 -4.472066345e+00 2.66 -2.152039321e+00 -3.023942867e+00 -4.413272317e+00 2.68 -2.064262813e+00 -2.950931768e+00 -4.351021470e+00 2.70 -1.979608943e+00 -2.883062640e+00 -4.285708535e+00 2.72 -1.898003027e+00 -2.818645484e+00 -4.217721228e+00 2.74 -1.819368822e+00 -2.756918693e+00 -4.147437451e+00 2.76 -1.743628952e+00 -2.697549612e+00 -4.075222163e+00 2.78 -1.670705291e+00 -2.640377496e+00 -4.001424236e+00 2.80 -1.600519300e+00 -2.585300345e+00 -3.926373600e+00 2.82 -1.532992335e+00 -2.532231904e+00 -3.850378881e+00 2.84 -1.468045911e+00 -2.481087654e+00 -3.773725647e+00 2.86 -1.405601950e+00 -2.431781073e+00 -3.696675324e+00 2.88 -1.345582979e+00 -2.384223006e+00 -3.619464770e+00 2.90 -1.287912327e+00 -2.338321851e+00 -3.542306450e+00 2.92 -1.232514278e+00 -2.293983929e+00 -3.465389121e+00 2.94 -1.179314213e+00 -2.251113901e+00 -3.388878936e+00 2.96 -1.128238732e+00 -2.209615208e+00 -3.312920863e+00 2.98 -1.079215756e+00 -2.169390532e+00 -3.237640296e+00 3.00 -1.032174613e+00 -2.130342286e+00 -3.163144797e+00 3.02 -9.870461111e-01 -2.092373123e+00 -3.089525859e+00 3.04 -9.437625987e-01 -2.055386480e+00 -3.016860653e+00 3.06 -9.022580110e-01 -2.019287151e+00 -2.945213689e+00 3.08 -8.624679078e-01 -1.983981875e+00 -2.874638367e+00 3.10 -8.243295009e-01 -1.949379964e+00 -2.805178399e+00 3.12 -7.877816733e-01 -1.915393928e+00 -2.736869078e+00 3.14 -7.527649905e-01 -1.881940128e+00 -2.669738403e+00 3.16 -7.192217054e-01 -1.848939412e+00 -2.603808066e+00 3.18 -6.870957564e-01 -1.816317747e+00 -2.539094300e+00 3.20 -6.563327613e-01 -1.784006828e+00 -2.475608608e+00 3.22 -6.268800053e-01 -1.751944634e+00 -2.413358385e+00 3.24 -5.986864256e-01 -1.720075943e+00 -2.352347451e+00 3.26 -5.717025922e-01 -1.688352761e+00 -2.292576500e+00 3.28 -5.458806851e-01 -1.656734670e+00 -2.234043487e+00 3.30 -5.211744695e-01 -1.625189074e+00 -2.176743961e+00 3.32 -4.975392681e-01 -1.593691328e+00 -2.120671353e+00 3.34 -4.749319317e-01 -1.562224738e+00 -2.065817222e+00 3.36 -4.533108079e-01 -1.530780442e+00 -2.012171483e+00 3.38 -4.326357085e-01 -1.499357149e+00 -1.959722595e+00 3.40 -4.128678762e-01 -1.467960751e+00 -1.908457743e+00 3.42 -3.939699498e-01 -1.436603808e+00 -1.858362991e+00 3.44 -3.759059288e-01 -1.405304932e+00 -1.809423427e+00 3.46 -3.586411382e-01 -1.374088061e+00 -1.761623289e+00 3.48 -3.421421920e-01 -1.342981665e+00 -1.714946087e+00 3.50 -3.263769577e-01 -1.312017893e+00 -1.669374706e+00 3.52 -3.113145194e-01 -1.281231687e+00 -1.624891503e+00 3.54 -2.969251424e-01 -1.250659890e+00 -1.581478401e+00 3.56 -2.831802368e-01 -1.220340366e+00 -1.539116964e+00 3.58 -2.700523226e-01 -1.190311160e+00 -1.497788470e+00 3.60 -2.575149937e-01 -1.160609713e+00 -1.457473985e+00 3.62 -2.455428842e-01 -1.131272157e+00 -1.418154413e+00 3.64 -2.341116332e-01 -1.102332694e+00 -1.379810561e+00 3.66 -2.231978519e-01 -1.073823071e+00 -1.342423179e+00 3.68 -2.127790904e-01 -1.045772170e+00 -1.305973013e+00 3.70 -2.028338053e-01 -1.018205689e+00 -1.270440838e+00 3.72 -1.933413280e-01 -9.911459439e-01 -1.235807498e+00 3.74 -1.842818337e-01 -9.646117571e-01 -1.202053940e+00 3.76 -1.756363116e-01 -9.386184458e-01 -1.169161238e+00 3.78 -1.673865347e-01 -9.131778901e-01 -1.137110621e+00 3.80 -1.595150320e-01 -8.882986716e-01 -1.105883496e+00 3.82 -1.520050596e-01 -8.639862696e-01 -1.075461469e+00 3.84 -1.448405743e-01 -8.402433027e-01 -1.045826360e+00 3.86 -1.380062068e-01 -8.170698008e-01 -1.016960220e+00 3.88 -1.314872362e-01 -7.944634965e-01 -9.888453441e-01 3.90 -1.252695651e-01 -7.724201239e-01 -9.614642842e-01 3.92 -1.193396956e-01 -7.509337145e-01 -9.347998561e-01 3.94 -1.136847059e-01 -7.299968818e-01 -9.088351500e-01 3.96 -1.082922275e-01 -7.096010884e-01 -8.835535362e-01 3.98 -1.031504239e-01 -6.897368891e-01 -8.589386711e-01 4.00 -9.824796900e-02 -6.703941489e-01 -8.349745013e-01 4.02 -9.357402673e-02 -6.515622325e-01 -8.116452670e-01 4.04 -8.911823155e-02 -6.332301663e-01 -7.889355046e-01 4.06 -8.487066926e-02 -6.153867734e-01 -7.668300477e-01 4.08 -8.082185867e-02 -5.980207832e-01 -7.453140282e-01 4.10 -7.696273390e-02 -5.811209188e-01 -7.243728763e-01 4.12 -7.328462730e-02 -5.646759653e-01 -7.039923196e-01 4.14 -6.977925299e-02 -5.486748201e-01 -6.841583823e-01 4.16 -6.643869103e-02 -5.331065311e-01 -6.648573833e-01 4.18 -6.325537215e-02 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