# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2011--Smirnova-D-E-Starikov-S-V-Stegailov-V-V--U # implementation = 2012--Smirnova-D-E--U--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 U U 0.02 6.615187293e+01 0.04 6.543885831e+01 0.06 6.472584369e+01 0.08 6.401282906e+01 0.10 6.329981444e+01 0.12 6.258679982e+01 0.14 6.187378520e+01 0.16 6.116077057e+01 0.18 6.044775595e+01 0.20 5.973474133e+01 0.22 5.902172670e+01 0.24 5.830871208e+01 0.26 5.759569746e+01 0.28 5.688268284e+01 0.30 5.616966821e+01 0.32 5.545665359e+01 0.34 5.474363897e+01 0.36 5.403062434e+01 0.38 5.331760972e+01 0.40 5.260459510e+01 0.42 5.189158048e+01 0.44 5.117856585e+01 0.46 5.046555123e+01 0.48 4.975253661e+01 0.50 4.903952198e+01 0.52 4.832650736e+01 0.54 4.761349274e+01 0.56 4.690047812e+01 0.58 4.618746349e+01 0.60 4.547444887e+01 0.62 4.476143425e+01 0.64 4.404841962e+01 0.66 4.333540500e+01 0.68 4.262239038e+01 0.70 4.190937576e+01 0.72 4.119636113e+01 0.74 4.048334651e+01 0.76 3.977033189e+01 0.78 3.905731726e+01 0.80 3.834430264e+01 0.82 3.763128802e+01 0.84 3.691827340e+01 0.86 3.620525877e+01 0.88 3.549224415e+01 0.90 3.477922953e+01 0.92 3.406621490e+01 0.94 3.335320028e+01 0.96 3.264018566e+01 0.98 3.192717104e+01 1.00 3.121415641e+01 1.02 3.050114179e+01 1.04 2.978812717e+01 1.06 2.907511254e+01 1.08 2.836209792e+01 1.10 2.764908330e+01 1.12 2.693606868e+01 1.14 2.622305405e+01 1.16 2.551003943e+01 1.18 2.479702481e+01 1.20 2.408401018e+01 1.22 2.337099556e+01 1.24 2.265798094e+01 1.26 2.194496632e+01 1.28 2.123195169e+01 1.30 2.051893707e+01 1.32 1.980592245e+01 1.34 1.909290782e+01 1.36 1.837989320e+01 1.38 1.766687858e+01 1.40 1.695386396e+01 1.42 1.624084933e+01 1.44 1.552783471e+01 1.46 1.481482009e+01 1.48 1.410180546e+01 1.50 1.338879084e+01 1.52 1.267577622e+01 1.54 1.196276160e+01 1.56 1.124974697e+01 1.58 1.053673412e+01 1.60 9.825618282e+00 1.62 9.122825413e+00 1.64 8.435403430e+00 1.66 7.770394443e+00 1.68 7.132199479e+00 1.70 6.516861600e+00 1.72 5.918777746e+00 1.74 5.332347328e+00 1.76 4.753244891e+00 1.78 4.182637691e+00 1.80 3.623160496e+00 1.82 3.077453486e+00 1.84 2.547765805e+00 1.86 2.034087043e+00 1.88 1.535588330e+00 1.90 1.051434840e+00 1.92 5.811667833e-01 1.94 1.273091507e-01 1.96 -3.861890164e-01 1.98 -7.838679307e-01 2.00 -1.145945897e+00 2.02 -1.472005824e+00 2.04 -1.762435824e+00 2.06 -2.018487172e+00 2.08 -2.242217102e+00 2.10 -2.436524404e+00 2.12 -2.605138034e+00 2.14 -2.752077405e+00 2.16 -2.881388661e+00 2.18 -2.996386641e+00 2.20 -3.099546529e+00 2.22 -3.192621871e+00 2.24 -3.276773550e+00 2.26 -3.352606763e+00 2.28 -3.419997360e+00 2.30 -3.478587290e+00 2.32 -3.527890715e+00 2.34 -3.567235462e+00 2.36 -3.595689639e+00 2.38 -3.612846127e+00 2.40 -3.619186520e+00 2.42 -3.615269089e+00 2.44 -3.601682330e+00 2.46 -3.579032712e+00 2.48 -3.547953758e+00 2.50 -3.509115017e+00 2.52 -3.463212499e+00 2.54 -3.410970602e+00 2.56 -3.353154277e+00 2.58 -3.290554851e+00 2.60 -3.223907651e+00 2.62 -3.153626028e+00 2.64 -3.080068963e+00 2.66 -3.003622259e+00 2.68 -2.924699957e+00 2.70 -2.843738829e+00 2.72 -2.761198861e+00 2.74 -2.677643079e+00 2.76 -2.593735154e+00 2.78 -2.510132226e+00 2.80 -2.427477775e+00 2.82 -2.346377072e+00 2.84 -2.267234821e+00 2.86 -2.190302547e+00 2.88 -2.115801328e+00 2.90 -2.043932238e+00 2.92 -1.974870258e+00 2.94 -1.908771147e+00 2.96 -1.845771111e+00 2.98 -1.785988653e+00 3.00 -1.729524798e+00 3.02 -1.676465790e+00 3.04 -1.626881446e+00 3.06 -1.580760143e+00 3.08 -1.537938633e+00 3.10 -1.498221948e+00 3.12 -1.461399751e+00 3.14 -1.427250661e+00 3.16 -1.395541051e+00 3.18 -1.366029176e+00 3.20 -1.338464700e+00 3.22 -1.312591774e+00 3.24 -1.288147790e+00 3.26 -1.264866477e+00 3.28 -1.242491249e+00 3.30 -1.220855549e+00 3.32 -1.199823879e+00 3.34 -1.179260087e+00 3.36 -1.159024584e+00 3.38 -1.138977225e+00 3.40 -1.118976851e+00 3.42 -1.098880666e+00 3.44 -1.078544435e+00 3.46 -1.057822908e+00 3.48 -1.036570801e+00 3.50 -1.014648195e+00 3.52 -9.921135025e-01 3.54 -9.692399469e-01 3.56 -9.463127588e-01 3.58 -9.236185078e-01 3.60 -9.014452257e-01 3.62 -8.800824514e-01 3.64 -8.598204494e-01 3.66 -8.409506462e-01 3.68 -8.237653335e-01 3.70 -8.085565531e-01 3.72 -7.956172617e-01 3.74 -7.850801827e-01 3.76 -7.765847430e-01 3.78 -7.696726300e-01 3.80 -7.638841525e-01 3.82 -7.587612781e-01 3.84 -7.538432121e-01 3.86 -7.486714279e-01 3.88 -7.427865649e-01 3.90 -7.357290539e-01 3.92 -7.270398058e-01 3.94 -7.162592425e-01 3.96 -7.029614405e-01 3.98 -6.870983208e-01 4.00 -6.688467444e-01 4.02 -6.483853467e-01 4.04 -6.258927125e-01 4.06 -6.015470012e-01 4.08 -5.755262619e-01 4.10 -5.480086390e-01 4.12 -5.191725540e-01 4.14 -4.891968091e-01 4.16 -4.582605386e-01 4.18 -4.265439583e-01 4.20 -3.942576376e-01 4.22 -3.616625492e-01 4.24 -3.290263761e-01 4.26 -2.944845450e-01 4.28 -2.729606393e-01 4.30 -2.340089439e-01 4.32 -9.756389151e-02 4.34 3.875772274e-02 4.36 5.469908749e-02 4.38 -1.261904643e-01 4.40 -5.311871528e-01 4.42 -1.140682658e+00 4.44 -1.911744317e+00 4.46 -2.794981758e+00 4.48 -3.741473571e+00 4.50 -4.708030677e+00 4.52 -5.660130230e+00 4.54 -6.573197754e+00 4.56 -7.432718191e+00 4.58 -8.233627129e+00 4.60 -8.979279373e+00 4.62 -9.680327725e+00 4.64 -1.035272061e+01 4.66 -1.099893060e+01 4.68 -1.160530393e+01 4.70 -1.215684048e+01 4.72 -1.263812654e+01 4.74 -1.303375569e+01 4.76 -1.332880029e+01 4.78 -1.350928574e+01 4.80 -1.356279246e+01 4.82 -1.347902298e+01 4.84 -1.325040381e+01 4.86 -1.287271409e+01 4.88 -1.235502736e+01 4.90 -1.173365404e+01 4.92 -1.104766550e+01 4.94 -1.033303856e+01 4.96 -9.621591264e+00 4.98 -8.940517642e+00 5.00 -8.312344784e+00 5.02 -7.755377856e+00 5.04 -7.284500895e+00 5.06 -6.912249169e+00 5.08 -6.650212891e+00 5.10 -6.508016597e+00 5.12 -6.474848590e+00 5.14 -6.531633737e+00 5.16 -6.661516958e+00 5.18 -6.848538920e+00 5.20 -7.076559964e+00 5.22 -7.328445313e+00 5.24 -7.585591819e+00 5.26 -7.827691296e+00 5.28 -8.032900849e+00 5.30 -8.178308405e+00 5.32 -8.241039760e+00 5.34 -8.211825860e+00 5.36 -8.101253839e+00 5.38 -7.922635252e+00 5.40 -7.689892773e+00 5.42 -7.416975301e+00 5.44 -7.117377777e+00 5.46 -6.803777194e+00 5.48 -6.487804652e+00 5.50 -6.179903902e+00 5.52 -5.889317361e+00 5.54 -5.624157829e+00 5.56 -5.387656800e+00 5.58 -5.166138441e+00 5.60 -4.942946929e+00 5.62 -4.703256003e+00 5.64 -4.434302322e+00 5.66 -4.125917048e+00 5.68 -3.771264076e+00 5.70 -3.367745438e+00 5.72 -2.917967116e+00 5.74 -2.430624353e+00 5.76 -1.921124942e+00 5.78 -1.412621176e+00 5.80 -9.450024359e-01 5.82 -5.562797049e-01 5.84 -2.652175261e-01 5.86 -7.280037818e-02 5.88 3.352316722e-02 5.90 7.438046062e-02 5.92 7.299803249e-02 5.94 5.073953693e-02 5.96 2.437708037e-02 5.98 5.315148724e-03 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