# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2003--Lee-B-J-Shim-J-H-Baskes-M-I--Pt # implementation = 2003--Lee-B-J--Pt--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 Pt Pt 0.02 1.089998050e+04 0.04 1.020280498e+04 0.06 9.548989104e+03 0.08 8.935899522e+03 0.10 8.361059555e+03 0.12 7.822140043e+03 0.14 7.316950716e+03 0.16 6.843432063e+03 0.18 6.399647668e+03 0.20 5.983776987e+03 0.22 5.594108544e+03 0.24 5.229033518e+03 0.26 4.887039703e+03 0.28 4.566705817e+03 0.30 4.266696137e+03 0.32 3.985755454e+03 0.34 3.722704308e+03 0.36 3.476434511e+03 0.38 3.245904926e+03 0.40 3.030137490e+03 0.42 2.828213471e+03 0.44 2.639269943e+03 0.46 2.462496466e+03 0.48 2.297131959e+03 0.50 2.142461759e+03 0.52 1.997814850e+03 0.54 1.862561254e+03 0.56 1.736109573e+03 0.58 1.617904684e+03 0.60 1.507425559e+03 0.62 1.404183217e+03 0.64 1.307718800e+03 0.66 1.217601760e+03 0.68 1.133428148e+03 0.70 1.054819014e+03 0.72 9.814188955e+02 0.74 9.128943922e+02 0.76 8.489328343e+02 0.78 7.892410226e+02 0.80 7.335440460e+02 0.82 6.815841689e+02 0.84 6.331197854e+02 0.86 5.879244350e+02 0.88 5.457858776e+02 0.90 5.065052237e+02 0.92 4.698961163e+02 0.94 4.357839621e+02 0.96 4.040052091e+02 0.98 3.744066664e+02 1.00 3.468448665e+02 1.02 3.211854645e+02 1.04 2.973026746e+02 1.06 2.750787399e+02 1.08 2.544034346e+02 1.10 2.351735960e+02 1.12 2.172926854e+02 1.14 2.006703750e+02 1.16 1.852221603e+02 1.18 1.708689956e+02 1.20 1.575369529e+02 1.22 1.451568996e+02 1.24 1.336641981e+02 1.26 1.229984220e+02 1.28 1.131030909e+02 1.30 1.039254208e+02 1.32 9.541608971e+01 1.34 8.752901869e+01 1.36 8.022116515e+01 1.38 7.345232976e+01 1.40 6.718497494e+01 1.42 6.138405473e+01 1.44 5.601685518e+01 1.46 5.105284470e+01 1.48 4.646353373e+01 1.50 4.222234316e+01 1.52 3.830448103e+01 1.54 3.468682697e+01 1.56 3.134782386e+01 1.58 2.826737639e+01 1.60 2.542675602e+01 1.62 2.280851196e+01 1.64 2.039638786e+01 1.66 1.817524381e+01 1.68 1.613098332e+01 1.70 1.425048509e+01 1.72 1.252153910e+01 1.74 1.093278700e+01 1.76 9.473666274e+00 1.78 8.134358170e+00 1.80 6.905739081e+00 1.82 5.779335154e+00 1.84 4.747279970e+00 1.86 3.802275077e+00 1.88 2.937553225e+00 1.90 2.146844092e+00 1.92 1.424342367e+00 1.94 7.646779908e-01 1.96 1.628884120e-01 1.98 -3.856073279e-01 2.00 -8.850328433e-01 2.02 -1.339277165e+00 2.04 -1.751916190e+00 2.06 -2.126233008e+00 2.08 -2.465237276e+00 2.10 -2.771683833e+00 2.12 -3.048090711e+00 2.14 -3.296756695e+00 2.16 -3.519778543e+00 2.18 -3.719067930e+00 2.20 -3.896368138e+00 2.22 -4.053270406e+00 2.24 -4.191229815e+00 2.26 -4.311580487e+00 2.28 -4.415549812e+00 2.30 -4.504271396e+00 2.32 -4.578796422e+00 2.34 -4.640103194e+00 2.36 -4.689104729e+00 2.38 -4.726654460e+00 2.40 -4.753550276e+00 2.42 -4.770537323e+00 2.44 -4.778310128e+00 2.46 -4.777514637e+00 2.48 -4.768750745e+00 2.50 -4.752575698e+00 2.52 -4.729508558e+00 2.54 -4.700035620e+00 2.56 -4.664616476e+00 2.58 -4.623690210e+00 2.60 -4.577681181e+00 2.62 -4.527003861e+00 2.64 -4.472066345e+00 2.66 -4.413272317e+00 2.68 -4.351021470e+00 2.70 -4.285708535e+00 2.72 -4.217721228e+00 2.74 -4.147437451e+00 2.76 -4.075222163e+00 2.78 -4.001424236e+00 2.80 -3.926373600e+00 2.82 -3.850378881e+00 2.84 -3.773725647e+00 2.86 -3.696675324e+00 2.88 -3.619464770e+00 2.90 -3.542306450e+00 2.92 -3.465389121e+00 2.94 -3.388878936e+00 2.96 -3.312920863e+00 2.98 -3.237640296e+00 3.00 -3.163144797e+00 3.02 -3.089525859e+00 3.04 -3.016860653e+00 3.06 -2.945213689e+00 3.08 -2.874638367e+00 3.10 -2.805178399e+00 3.12 -2.736869078e+00 3.14 -2.669738403e+00 3.16 -2.603808066e+00 3.18 -2.539094300e+00 3.20 -2.475608608e+00 3.22 -2.413358385e+00 3.24 -2.352347451e+00 3.26 -2.292576500e+00 3.28 -2.234043487e+00 3.30 -2.176743961e+00 3.32 -2.120671353e+00 3.34 -2.065817222e+00 3.36 -2.012171483e+00 3.38 -1.959722595e+00 3.40 -1.908457743e+00 3.42 -1.858362991e+00 3.44 -1.809423427e+00 3.46 -1.761623289e+00 3.48 -1.714946087e+00 3.50 -1.669374706e+00 3.52 -1.624891503e+00 3.54 -1.581478401e+00 3.56 -1.539116964e+00 3.58 -1.497788470e+00 3.60 -1.457473985e+00 3.62 -1.418154413e+00 3.64 -1.379810561e+00 3.66 -1.342423179e+00 3.68 -1.305973013e+00 3.70 -1.270440838e+00 3.72 -1.235807498e+00 3.74 -1.202053940e+00 3.76 -1.169161238e+00 3.78 -1.137110621e+00 3.80 -1.105883496e+00 3.82 -1.075461469e+00 3.84 -1.045826360e+00 3.86 -1.016960220e+00 3.88 -9.888453441e-01 3.90 -9.614642842e-01 3.92 -9.347998561e-01 3.94 -9.088351500e-01 3.96 -8.835535362e-01 3.98 -8.589386711e-01 4.00 -8.349745013e-01 4.02 -8.116452670e-01 4.04 -7.889355046e-01 4.06 -7.668300477e-01 4.08 -7.453140282e-01 4.10 -7.243728763e-01 4.12 -7.039923196e-01 4.14 -6.841583823e-01 4.16 -6.648573833e-01 4.18 -6.460759341e-01 4.20 -6.278009365e-01 4.22 -6.100195793e-01 4.24 -5.927193356e-01 4.26 -5.758879593e-01 4.28 -5.595134812e-01 4.30 -5.435842051e-01 4.32 -5.280887043e-01 4.34 -5.130158167e-01 4.36 -4.983546411e-01 4.38 -4.840945324e-01 4.40 -4.702250975e-01 4.42 -4.555706687e-01 4.44 -4.255852777e-01 4.46 -3.445119581e-01 4.48 -1.763637822e-01 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 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