# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Pt # implementation = 2023--Daw-M-S--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 2026-08-31 r Pt Pt 0.02 9.043029195e+05 0.04 8.466843643e+05 0.06 7.917166197e+05 0.08 7.392715753e+05 0.10 6.892278019e+05 0.12 6.414701659e+05 0.14 5.958894684e+05 0.16 5.523821079e+05 0.18 5.108497642e+05 0.20 4.711991021e+05 0.22 4.333414935e+05 0.24 3.971927578e+05 0.26 3.626729167e+05 0.28 3.297059655e+05 0.30 2.982196575e+05 0.32 2.681453013e+05 0.34 2.394175712e+05 0.36 2.119743275e+05 0.38 1.857564488e+05 0.40 1.607076728e+05 0.42 1.367744477e+05 0.44 1.141442852e+05 0.46 9.483019908e+04 0.48 7.878424805e+04 0.50 6.545635543e+04 0.52 5.438841478e+04 0.54 4.519901001e+04 0.56 3.757066030e+04 0.58 3.123917459e+04 0.60 2.598476834e+04 0.62 2.162465212e+04 0.64 1.800684954e+04 0.66 1.500504146e+04 0.68 1.251426718e+04 0.70 1.044734089e+04 0.72 8.731865055e+03 0.74 7.307741920e+03 0.76 6.125100591e+03 0.78 5.142570711e+03 0.80 4.325845191e+03 0.82 3.646483935e+03 0.84 3.080918449e+03 0.86 2.609623843e+03 0.88 2.216430315e+03 0.90 1.887950795e+03 0.92 1.613105326e+03 0.94 1.382725972e+03 0.96 1.189228743e+03 0.98 1.026341268e+03 1.00 8.888768445e+02 1.02 7.725470345e+02 1.04 6.738063071e+02 1.06 5.897232956e+02 1.08 5.178741649e+02 1.10 4.562543303e+02 1.12 4.032054055e+02 1.14 3.573547825e+02 1.16 3.175656835e+02 1.18 2.828958916e+02 1.20 2.525636692e+02 1.22 2.259196274e+02 1.24 2.024235193e+02 1.26 1.816251042e+02 1.28 1.631483784e+02 1.30 1.466785848e+02 1.32 1.319515181e+02 1.34 1.187447227e+02 1.36 1.068702519e+02 1.38 9.616871351e+01 1.40 8.650437430e+01 1.42 7.776113609e+01 1.44 6.983922857e+01 1.46 6.265249098e+01 1.48 5.612613754e+01 1.50 5.019491985e+01 1.52 4.480161481e+01 1.54 3.989577943e+01 1.56 3.543272436e+01 1.58 3.137266633e+01 1.60 2.768002724e+01 1.62 2.432285317e+01 1.64 2.127233138e+01 1.66 1.850238778e+01 1.68 1.598934990e+01 1.70 1.371166379e+01 1.72 1.164965487e+01 1.74 9.785324988e+00 1.76 8.102179125e+00 1.78 6.585076565e+00 1.80 5.220102185e+00 1.82 3.994454451e+00 1.84 2.896347254e+00 1.86 1.914923317e+00 1.88 1.040177287e+00 1.90 2.628870002e-01 1.92 -4.254483068e-01 1.94 -1.032663864e+00 1.96 -1.565980125e+00 1.98 -2.032049088e+00 2.00 -2.436996744e+00 2.02 -2.786462101e+00 2.04 -3.085633169e+00 2.06 -3.339280220e+00 2.08 -3.551786593e+00 2.10 -3.727177269e+00 2.12 -3.869145409e+00 2.14 -3.981077023e+00 2.16 -4.066073919e+00 2.18 -4.126975054e+00 2.20 -4.166376406e+00 2.22 -4.186649476e+00 2.24 -4.189958497e+00 2.26 -4.178276451e+00 2.28 -4.153399966e+00 2.30 -4.116963164e+00 2.32 -4.070450529e+00 2.34 -4.015208858e+00 2.36 -3.952458354e+00 2.38 -3.883302919e+00 2.40 -3.808739686e+00 2.42 -3.729667860e+00 2.44 -3.646896900e+00 2.46 -3.561154079e+00 2.48 -3.473091487e+00 2.50 -3.383292490e+00 2.52 -3.292277695e+00 2.54 -3.200510455e+00 2.56 -3.108401936e+00 2.58 -3.016315798e+00 2.60 -2.924572485e+00 2.62 -2.833453188e+00 2.64 -2.743203474e+00 2.66 -2.654036630e+00 2.68 -2.566136722e+00 2.70 -2.479661404e+00 2.72 -2.394744497e+00 2.74 -2.311498338e+00 2.76 -2.230015943e+00 2.78 -2.150372973e+00 2.80 -2.072629536e+00 2.82 -1.996831830e+00 2.84 -1.923013640e+00 2.86 -1.851197699e+00 2.88 -1.781396939e+00 2.90 -1.713615609e+00 2.92 -1.647850309e+00 2.94 -1.584090914e+00 2.96 -1.522321425e+00 2.98 -1.462520726e+00 3.00 -1.404663276e+00 3.02 -1.348719736e+00 3.04 -1.294657528e+00 3.06 -1.242441342e+00 3.08 -1.192033593e+00 3.10 -1.143394827e+00 3.12 -1.096484091e+00 3.14 -1.051259255e+00 3.16 -1.007677311e+00 3.18 -9.656946277e-01 3.20 -9.252671820e-01 3.22 -8.863507659e-01 3.24 -8.489011649e-01 3.26 -8.128743169e-01 3.28 -7.782264508e-01 3.30 -7.449142078e-01 3.32 -7.128947458e-01 3.34 -6.821258296e-01 3.36 -6.525659082e-01 3.38 -6.241741797e-01 3.40 -5.969106464e-01 3.42 -5.707361593e-01 3.44 -5.456124552e-01 3.46 -5.215021855e-01 3.48 -4.983689381e-01 3.50 -4.761772537e-01 3.52 -4.548926365e-01 3.54 -4.344815602e-01 3.56 -4.149114693e-01 3.58 -3.961507776e-01 3.60 -3.781688630e-01 3.62 -3.609360590e-01 3.64 -3.444236447e-01 3.66 -3.286038321e-01 3.68 -3.134497512e-01 3.70 -2.989354349e-01 3.72 -2.850358009e-01 3.74 -2.717266340e-01 3.76 -2.589845666e-01 3.78 -2.467870589e-01 3.80 -2.351123783e-01 3.82 -2.239395789e-01 3.84 -2.132484800e-01 3.86 -2.030196452e-01 3.88 -1.932343605e-01 3.90 -1.838746137e-01 3.92 -1.749230724e-01 3.94 -1.663630636e-01 3.96 -1.581785523e-01 3.98 -1.503541210e-01 4.00 -1.428749496e-01 4.02 -1.357267952e-01 4.04 -1.288959727e-01 4.06 -1.223693353e-01 4.08 -1.161342562e-01 4.10 -1.101786097e-01 4.12 -1.044907536e-01 4.14 -9.905951171e-02 4.16 -9.387415687e-02 4.18 -8.892439477e-02 4.20 -8.420034754e-02 4.22 -7.969253740e-02 4.24 -7.539187242e-02 4.26 -7.128963185e-02 4.28 -6.737745191e-02 4.30 -6.364731212e-02 4.32 -6.009152191e-02 4.34 -5.670270788e-02 4.36 -5.347380132e-02 4.38 -5.039802625e-02 4.40 -4.746888786e-02 4.42 -4.468003967e-02 4.44 -4.202528234e-02 4.46 -3.949900430e-02 4.48 -3.709582423e-02 4.50 -3.481056942e-02 4.52 -3.263827000e-02 4.54 -3.057415300e-02 4.56 -2.861363628e-02 4.58 -2.675232244e-02 4.60 -2.498599264e-02 4.62 -2.331060052e-02 4.64 -2.172226606e-02 4.66 -2.021726965e-02 4.68 -1.879204615e-02 4.70 -1.744317910e-02 4.72 -1.616739508e-02 4.74 -1.496155819e-02 4.76 -1.382266467e-02 4.78 -1.274783768e-02 4.80 -1.173432223e-02 4.82 -1.077948032e-02 4.84 -9.880786133e-03 4.86 -9.035821503e-03 4.88 -8.242271478e-03 4.90 -7.497920053e-03 4.92 -6.800646066e-03 4.94 -6.148419244e-03 4.96 -5.539296395e-03 4.98 -4.971417753e-03 5.00 -4.443003458e-03 5.02 -3.952350181e-03 5.04 -3.497827880e-03 5.06 -3.077876688e-03 5.08 -2.691003924e-03 5.10 -2.335781228e-03 5.12 -2.010841819e-03 5.14 -1.714877854e-03 5.16 -1.446637907e-03 5.18 -1.204924551e-03 5.20 -9.885920367e-04 5.22 -7.965440756e-04 5.24 -6.277317108e-04 5.26 -4.811512816e-04 5.28 -3.558424721e-04 5.30 -2.508864445e-04 5.32 -1.654040508e-04 5.34 -9.855412111e-05 5.36 -4.953182560e-05 5.38 -1.756710585e-05 5.40 -1.923174036e-06 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