# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2008--Do-E-C-Shin-Y-H-Lee-B-J--In # implementation = 2008--Do-E-C--In--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 In In 0.02 7.224161375e+02 0.04 6.905089398e+02 0.06 6.599401150e+02 0.08 6.306554490e+02 0.10 6.026028665e+02 0.12 5.757323486e+02 0.14 5.499958531e+02 0.16 5.253472380e+02 0.18 5.017421883e+02 0.20 4.791381451e+02 0.22 4.574942372e+02 0.24 4.367712161e+02 0.26 4.169313930e+02 0.28 3.979385778e+02 0.30 3.797580212e+02 0.32 3.623563587e+02 0.34 3.457015562e+02 0.36 3.297628590e+02 0.38 3.145107408e+02 0.40 2.999168570e+02 0.42 2.859539975e+02 0.44 2.725960429e+02 0.46 2.598179217e+02 0.48 2.475955693e+02 0.50 2.359058886e+02 0.52 2.247267120e+02 0.54 2.140367647e+02 0.56 2.038156300e+02 0.58 1.940437156e+02 0.60 1.847022205e+02 0.62 1.757731048e+02 0.64 1.672390590e+02 0.66 1.590834752e+02 0.68 1.512904201e+02 0.70 1.438446073e+02 0.72 1.367313726e+02 0.74 1.299366490e+02 0.76 1.234469428e+02 0.78 1.172493115e+02 0.80 1.113313412e+02 0.82 1.056811262e+02 0.84 1.002872484e+02 0.86 9.513875798e+01 0.88 9.022515490e+01 0.90 8.553637078e+01 0.92 8.106275172e+01 0.94 7.679504178e+01 0.96 7.272436700e+01 0.98 6.884222016e+01 1.00 6.514044605e+01 1.02 6.161122736e+01 1.04 5.824707109e+01 1.06 5.504079555e+01 1.08 5.198551781e+01 1.10 4.907464165e+01 1.12 4.630184604e+01 1.14 4.366107399e+01 1.16 4.114652191e+01 1.18 3.875262932e+01 1.20 3.647406906e+01 1.22 3.430573780e+01 1.24 3.224274692e+01 1.26 3.028041387e+01 1.28 2.841425370e+01 1.30 2.663997108e+01 1.32 2.495345253e+01 1.34 2.335075900e+01 1.36 2.182811877e+01 1.38 2.038192056e+01 1.40 1.900870701e+01 1.42 1.770516830e+01 1.44 1.646813617e+01 1.46 1.529457802e+01 1.48 1.418159141e+01 1.50 1.312639861e+01 1.52 1.212634152e+01 1.54 1.117887669e+01 1.56 1.028157059e+01 1.58 9.432095047e+00 1.60 8.628222887e+00 1.62 7.867823730e+00 1.64 7.148859967e+00 1.66 6.469382893e+00 1.68 5.827529003e+00 1.70 5.221516431e+00 1.72 4.649641532e+00 1.74 4.110275611e+00 1.76 3.601861777e+00 1.78 3.122911923e+00 1.80 2.672003837e+00 1.82 2.247778422e+00 1.84 1.848937034e+00 1.86 1.474238928e+00 1.88 1.122498802e+00 1.90 7.925844539e-01 1.92 4.834145200e-01 1.94 1.939563162e-01 1.96 -7.677623717e-02 1.98 -3.297246038e-01 2.00 -5.657875389e-01 2.02 -7.858229178e-01 2.04 -9.906494893e-01 2.06 -1.181048557e+00 2.08 -1.357765591e+00 2.10 -1.521511773e+00 2.12 -1.672965479e+00 2.14 -1.812773696e+00 2.16 -1.941553385e+00 2.18 -2.059892787e+00 2.20 -2.168352669e+00 2.22 -2.267467527e+00 2.24 -2.357746729e+00 2.26 -2.439675620e+00 2.28 -2.513716572e+00 2.30 -2.580309996e+00 2.32 -2.639875310e+00 2.34 -2.692811864e+00 2.36 -2.739499831e+00 2.38 -2.780301052e+00 2.40 -2.815559858e+00 2.42 -2.845603844e+00 2.44 -2.870744617e+00 2.46 -2.891278515e+00 2.48 -2.907487288e+00 2.50 -2.919638756e+00 2.52 -2.927987436e+00 2.54 -2.932775144e+00 2.56 -2.934231568e+00 2.58 -2.932574822e+00 2.60 -2.928011971e+00 2.62 -2.920739534e+00 2.64 -2.910943971e+00 2.66 -2.898802141e+00 2.68 -2.884481743e+00 2.70 -2.868141744e+00 2.72 -2.849932778e+00 2.74 -2.829997534e+00 2.76 -2.808471128e+00 2.78 -2.785481454e+00 2.80 -2.761149523e+00 2.82 -2.735589789e+00 2.84 -2.708910452e+00 2.86 -2.681213759e+00 2.88 -2.652596287e+00 2.90 -2.623149206e+00 2.92 -2.592958544e+00 2.94 -2.562105432e+00 2.96 -2.530666335e+00 2.98 -2.498713285e+00 3.00 -2.466314087e+00 3.02 -2.433532531e+00 3.04 -2.400428584e+00 3.06 -2.367058579e+00 3.08 -2.333475396e+00 3.10 -2.299728625e+00 3.12 -2.265864738e+00 3.14 -2.231927238e+00 3.16 -2.197956812e+00 3.18 -2.163991467e+00 3.20 -2.130066671e+00 3.22 -2.096215480e+00 3.24 -2.062468658e+00 3.26 -2.028854799e+00 3.28 -1.995400438e+00 3.30 -1.962130153e+00 3.32 -1.929066676e+00 3.34 -1.896230982e+00 3.36 -1.863642387e+00 3.38 -1.831318634e+00 3.40 -1.799275979e+00 3.42 -1.767529271e+00 3.44 -1.736092029e+00 3.46 -1.704976518e+00 3.48 -1.674193813e+00 3.50 -1.643753874e+00 3.52 -1.613665602e+00 3.54 -1.583936908e+00 3.56 -1.554574763e+00 3.58 -1.525585262e+00 3.60 -1.496973669e+00 3.62 -1.468744475e+00 3.64 -1.440901440e+00 3.66 -1.413447644e+00 3.68 -1.386385529e+00 3.70 -1.359716940e+00 3.72 -1.333443167e+00 3.74 -1.307564980e+00 3.76 -1.282082669e+00 3.78 -1.256996075e+00 3.80 -1.232304627e+00 3.82 -1.208007366e+00 3.84 -1.184102981e+00 3.86 -1.160589832e+00 3.88 -1.137465980e+00 3.90 -1.114729206e+00 3.92 -1.092377041e+00 3.94 -1.070406781e+00 3.96 -1.048815512e+00 3.98 -1.027600125e+00 4.00 -1.006757337e+00 4.02 -9.862837038e-01 4.04 -9.661756369e-01 4.06 -9.464294170e-01 4.08 -9.270412065e-01 4.10 -9.080070612e-01 4.12 -8.893229410e-01 4.14 -8.709847203e-01 4.16 -8.529881963e-01 4.18 -8.353290981e-01 4.20 -8.180030941e-01 4.22 -8.010057992e-01 4.24 -7.843327820e-01 4.26 -7.679795705e-01 4.28 -7.519416586e-01 4.30 -7.362145114e-01 4.32 -7.207935711e-01 4.34 -7.056742620e-01 4.36 -6.908519953e-01 4.38 -6.763221747e-01 4.40 -6.620802005e-01 4.42 -6.465568242e-01 4.44 -6.099707748e-01 4.46 -5.019669469e-01 4.48 -2.652255603e-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