# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Purja-Pun-G-P-Darling-K-A-Kecskes-L-J-Mishin-Y--Ta # implementation = 2015--Purja-Pun-G-P--Ta--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 2024-11-27 r Ta Ta 0.02 3.123586736e+00 0.04 3.115499732e+00 0.06 3.107988804e+00 0.08 3.101673273e+00 0.10 3.097293509e+00 0.12 3.095705801e+00 0.14 3.097876522e+00 0.16 3.104874934e+00 0.18 3.117864269e+00 0.20 3.138090361e+00 0.22 3.166867244e+00 0.24 3.205559073e+00 0.26 3.255557829e+00 0.28 3.318251143e+00 0.30 3.394381862e+00 0.32 3.483386405e+00 0.34 3.584358785e+00 0.36 3.696213133e+00 0.38 3.817861519e+00 0.40 3.948142658e+00 0.42 4.085763093e+00 0.44 4.229508759e+00 0.46 4.379001507e+00 0.48 4.534047652e+00 0.50 4.694363893e+00 0.52 4.859314352e+00 0.54 5.028126741e+00 0.56 5.200356408e+00 0.58 5.375545068e+00 0.60 5.553244814e+00 0.62 5.733044478e+00 0.64 5.914595208e+00 0.66 6.097633611e+00 0.68 6.282002019e+00 0.70 6.467665493e+00 0.72 6.654727003e+00 0.74 6.843441009e+00 0.76 7.034226351e+00 0.78 7.227672854e+00 0.80 7.424529306e+00 0.82 7.625634901e+00 0.84 7.831723844e+00 0.86 8.042985604e+00 0.88 8.258321037e+00 0.90 8.474556408e+00 0.92 8.686461880e+00 0.94 8.888157255e+00 0.96 9.074988406e+00 0.98 9.244342685e+00 1.00 9.395284961e+00 1.02 9.527824982e+00 1.04 9.642388357e+00 1.06 9.739556161e+00 1.08 9.819953448e+00 1.10 9.884204193e+00 1.12 9.932902568e+00 1.14 9.966596759e+00 1.16 9.985782862e+00 1.18 9.990905954e+00 1.20 9.982365847e+00 1.22 9.960526879e+00 1.24 9.925719201e+00 1.26 9.878258959e+00 1.28 9.818489493e+00 1.30 9.746492496e+00 1.32 9.663003893e+00 1.34 9.568244148e+00 1.36 9.460948316e+00 1.38 9.342907545e+00 1.40 9.214765474e+00 1.42 9.076661656e+00 1.44 8.928151578e+00 1.46 8.768419130e+00 1.48 8.596938718e+00 1.50 8.413983346e+00 1.52 8.220908746e+00 1.54 8.019661111e+00 1.56 7.812071077e+00 1.58 7.599142419e+00 1.60 7.381598860e+00 1.62 7.158525014e+00 1.64 6.930649783e+00 1.66 6.699652919e+00 1.68 6.465152416e+00 1.70 6.227639931e+00 1.72 5.987473884e+00 1.74 5.744920017e+00 1.76 5.500243010e+00 1.78 5.253676843e+00 1.80 5.005427513e+00 1.82 4.755678275e+00 1.84 4.504592140e+00 1.86 4.252316990e+00 1.88 3.998991986e+00 1.90 3.744755680e+00 1.92 3.489755648e+00 1.94 3.234159202e+00 1.96 2.978164543e+00 1.98 2.722012065e+00 2.00 2.465993917e+00 2.02 2.210469520e+00 2.04 1.955889126e+00 2.06 1.702820661e+00 2.08 1.451986067e+00 2.10 1.204290210e+00 2.12 9.608207207e-01 2.14 7.228020770e-01 2.16 4.915026818e-01 2.18 2.681150736e-01 2.20 5.364379099e-02 2.22 -1.511628341e-01 2.24 -3.458217612e-01 2.26 -5.300797389e-01 2.28 -7.038567537e-01 2.30 -8.671877495e-01 2.32 -1.020176275e+00 2.34 -1.162971188e+00 2.36 -1.295729663e+00 2.38 -1.418595701e+00 2.40 -1.531690630e+00 2.42 -1.635108485e+00 2.44 -1.728938159e+00 2.46 -1.813509041e+00 2.48 -1.889279668e+00 2.50 -1.956675228e+00 2.52 -2.016089933e+00 2.54 -2.067890527e+00 2.56 -2.112418862e+00 2.58 -2.149993788e+00 2.60 -2.180912567e+00 2.62 -2.205451937e+00 2.64 -2.223869190e+00 2.66 -2.236403697e+00 2.68 -2.243277952e+00 2.70 -2.244700134e+00 2.72 -2.240874360e+00 2.74 -2.232043416e+00 2.76 -2.218463328e+00 2.78 -2.200393695e+00 2.80 -2.178103422e+00 2.82 -2.151879923e+00 2.84 -2.122038247e+00 2.86 -2.088927854e+00 2.88 -2.052939462e+00 2.90 -2.014508981e+00 2.92 -1.974114265e+00 2.94 -1.932267736e+00 2.96 -1.889502832e+00 2.98 -1.846343251e+00 3.00 -1.803293020e+00 3.02 -1.760753752e+00 3.04 -1.718895278e+00 3.06 -1.677820517e+00 3.08 -1.637603393e+00 3.10 -1.598291610e+00 3.12 -1.559909110e+00 3.14 -1.522462754e+00 3.16 -1.485944375e+00 3.18 -1.450335317e+00 3.20 -1.415610147e+00 3.22 -1.381737570e+00 3.24 -1.348684381e+00 3.26 -1.316415333e+00 3.28 -1.284895541e+00 3.30 -1.254090437e+00 3.32 -1.223966739e+00 3.34 -1.194492545e+00 3.36 -1.165637876e+00 3.38 -1.137374597e+00 3.40 -1.109676835e+00 3.42 -1.082520788e+00 3.44 -1.055884859e+00 3.46 -1.029749417e+00 3.48 -1.004097023e+00 3.50 -9.789120837e-01 3.52 -9.541810237e-01 3.54 -9.298921426e-01 3.56 -9.060354794e-01 3.58 -8.826029053e-01 3.60 -8.595878821e-01 3.62 -8.369854637e-01 3.64 -8.147922785e-01 3.66 -7.930063296e-01 3.68 -7.716270029e-01 3.70 -7.506550233e-01 3.72 -7.300922987e-01 3.74 -7.099418962e-01 3.76 -6.902080103e-01 3.78 -6.708958522e-01 3.80 -6.520115793e-01 3.82 -6.335622843e-01 3.84 -6.155559299e-01 3.86 -5.980012543e-01 3.88 -5.809077474e-01 3.90 -5.642856212e-01 3.92 -5.481457570e-01 3.94 -5.324996291e-01 3.96 -5.173592883e-01 3.98 -5.027373374e-01 4.00 -4.886468924e-01 4.02 -4.751015266e-01 4.04 -4.621152334e-01 4.06 -4.497024275e-01 4.08 -4.378779128e-01 4.10 -4.266568549e-01 4.12 -4.160547387e-01 4.14 -4.060873294e-01 4.16 -3.967706885e-01 4.18 -3.881124182e-01 4.20 -3.800710429e-01 4.22 -3.725880138e-01 4.24 -3.656049389e-01 4.26 -3.590636551e-01 4.28 -3.529067969e-01 4.30 -3.470813520e-01 4.32 -3.415361703e-01 4.34 -3.362201364e-01 4.36 -3.310821093e-01 4.38 -3.260709138e-01 4.40 -3.211405180e-01 4.42 -3.162766990e-01 4.44 -3.114774459e-01 4.46 -3.067407962e-01 4.48 -3.020647439e-01 4.50 -2.974473612e-01 4.52 -2.928868096e-01 4.54 -2.883812624e-01 4.56 -2.839289019e-01 4.58 -2.795279178e-01 4.60 -2.751765016e-01 4.62 -2.708727355e-01 4.64 -2.666147033e-01 4.66 -2.624005262e-01 4.68 -2.582283314e-01 4.70 -2.540962483e-01 4.72 -2.500024036e-01 4.74 -2.459449266e-01 4.76 -2.419221248e-01 4.78 -2.379319233e-01 4.80 -2.339720702e-01 4.82 -2.300402962e-01 4.84 -2.261343077e-01 4.86 -2.222517788e-01 4.88 -2.183903447e-01 4.90 -2.145467497e-01 4.92 -2.107176153e-01 4.94 -2.069021304e-01 4.96 -2.030994619e-01 4.98 -1.993086712e-01 5.00 -1.955287151e-01 5.02 -1.917584484e-01 5.04 -1.879966864e-01 5.06 -1.842449943e-01 5.08 -1.804974712e-01 5.10 -1.767440592e-01 5.12 -1.729745382e-01 5.14 -1.691784815e-01 5.16 -1.653452136e-01 5.18 -1.614637717e-01 5.20 -1.575202413e-01 5.22 -1.534956259e-01 5.24 -1.494013949e-01 5.26 -1.452541521e-01 5.28 -1.410714898e-01 5.30 -1.368722400e-01 5.32 -1.326767304e-01 5.34 -1.285068948e-01 5.36 -1.243619619e-01 5.38 -1.202072995e-01 5.40 -1.160083063e-01 5.42 -1.117302696e-01 5.44 -1.073390300e-01 5.46 -1.028019437e-01 5.48 -9.809027152e-02 5.50 -9.324326461e-02 5.52 -8.825332782e-02 5.54 -8.307317340e-02 5.56 -7.766800440e-02 5.58 -7.201945797e-02 5.60 -6.612926981e-02 5.62 -6.002207134e-02 5.64 -5.368709830e-02 5.66 -4.722537687e-02 5.68 -4.085786611e-02 5.70 -3.476912864e-02 5.72 -2.910203378e-02 5.74 -2.395627071e-02 5.76 -1.939024350e-02 5.78 -1.542573881e-02 5.80 -1.205441158e-02 5.82 -9.245038541e-03 5.84 -6.950621371e-03 5.86 -5.114697460e-03 5.88 -3.676525934e-03 5.90 -2.575076837e-03 5.92 -1.751918913e-03 5.94 -1.153178841e-03 5.96 -7.307573544e-04 5.98 -4.429666960e-04 6.00 -2.547231702e-04 6.02 -1.374008149e-04 6.04 -6.843107025e-05 6.06 -3.071766964e-05 6.08 -1.192336474e-05 6.10 -3.673674897e-06 6.12 -7.118738134e-07 6.14 -2.903618295e-08 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