# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2013--Smirnova-D-E-Kuksin-A-Y-Starikov-S-V-et-al--U-Mo-Xe # implementation = 2013--Smirnova-D-E--U-Mo-Xe--LAMMPS--ipr2 # 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 Mo Mo Mo U Mo Xe U U U Xe Xe Xe 0.02 2.184515744e+01 7.380964828e+02 1.003019495e+03 6.399251705e+01 2.877270154e+01 6.226090539e+03 0.04 2.142521340e+01 7.314155783e+02 9.917226323e+02 6.342835889e+01 2.854567642e+01 6.164831610e+03 0.06 2.100526937e+01 7.247348658e+02 9.804259127e+02 6.286420073e+01 2.831830712e+01 6.103572682e+03 0.08 2.058532533e+01 7.180543429e+02 9.691293406e+02 6.230004257e+01 2.809060321e+01 6.042313753e+03 0.10 2.016538129e+01 7.113740088e+02 9.578329214e+02 6.173513455e+01 2.786258645e+01 5.981054825e+03 0.12 1.974543726e+01 7.046938630e+02 9.465366598e+02 6.112060674e+01 2.763428808e+01 5.919795896e+03 0.14 1.932549322e+01 6.980139027e+02 9.352405615e+02 6.050854385e+01 2.740574645e+01 5.858536968e+03 0.16 1.890554918e+01 6.913341260e+02 9.239446286e+02 5.989787618e+01 2.717700488e+01 5.797278039e+03 0.18 1.848560514e+01 6.846545338e+02 9.126488686e+02 5.928820754e+01 2.694810989e+01 5.736019110e+03 0.20 1.806566111e+01 6.779751227e+02 9.013532853e+02 5.867922235e+01 2.671910948e+01 5.674760182e+03 0.22 1.764571707e+01 6.712958921e+02 8.900578836e+02 5.807067553e+01 2.649005185e+01 5.613501253e+03 0.24 1.722577303e+01 6.646168408e+02 8.787626674e+02 5.746238308e+01 2.626098416e+01 5.552242325e+03 0.26 1.680582900e+01 6.579379670e+02 8.674676431e+02 5.685421364e+01 2.603195154e+01 5.490983396e+03 0.28 1.638588496e+01 6.512592703e+02 8.561728144e+02 5.624608074e+01 2.580299630e+01 5.429724468e+03 0.30 1.596594092e+01 6.445807566e+02 8.448781866e+02 5.563793587e+01 2.557415728e+01 5.368465539e+03 0.32 1.554599689e+01 6.379024300e+02 8.335837763e+02 5.502976209e+01 2.534546931e+01 5.307206610e+03 0.34 1.512605285e+01 6.312242988e+02 8.222896004e+02 5.442156845e+01 2.511696287e+01 5.245947682e+03 0.36 1.470610881e+01 6.245463670e+02 8.109956798e+02 5.381338491e+01 2.488866380e+01 5.184688753e+03 0.38 1.428616477e+01 6.178686417e+02 7.997020318e+02 5.320525783e+01 2.466059320e+01 5.123429825e+03 0.40 1.386622074e+01 6.111911279e+02 7.884086768e+02 5.259724601e+01 2.443276732e+01 5.062170896e+03 0.42 1.344627670e+01 6.045138322e+02 7.771156340e+02 5.198941718e+01 2.420519767e+01 5.000911968e+03 0.44 1.302633266e+01 5.978367600e+02 7.658229226e+02 5.138184498e+01 2.397789104e+01 4.939653039e+03 0.46 1.260638863e+01 5.911599185e+02 7.545305610e+02 5.077460632e+01 2.375084976e+01 4.878394110e+03 0.48 1.218644459e+01 5.844833129e+02 7.432385692e+02 5.016777912e+01 2.352407188e+01 4.817135182e+03 0.50 1.176650055e+01 5.778069487e+02 7.319469656e+02 4.956144045e+01 2.329755146e+01 4.755876253e+03 0.52 1.134655652e+01 5.711308314e+02 7.206557700e+02 4.895566489e+01 2.307127892e+01 4.694617325e+03 0.54 1.092661248e+01 5.644549686e+02 7.093650003e+02 4.835052332e+01 2.284524134e+01 4.633358396e+03 0.56 1.050666844e+01 5.577793651e+02 6.980746771e+02 4.774608185e+01 2.261942285e+01 4.572099468e+03 0.58 1.008672440e+01 5.511040278e+02 6.867848193e+02 4.714240104e+01 2.239380507e+01 4.510840539e+03 0.60 9.666780368e+00 5.444289606e+02 6.754954460e+02 4.653953540e+01 2.216836743e+01 4.449581610e+03 0.62 9.246836331e+00 5.377541723e+02 6.642065759e+02 4.593753293e+01 2.194308766e+01 4.388322682e+03 0.64 8.826892294e+00 5.310796660e+02 6.529182272e+02 4.533643500e+01 2.171794215e+01 4.327063753e+03 0.66 8.406948257e+00 5.244054505e+02 6.416304054e+02 4.473627626e+01 2.149290638e+01 4.265804825e+03 0.68 7.987004220e+00 5.177315291e+02 6.303431057e+02 4.413708475e+01 2.126795530e+01 4.204545896e+03 0.70 7.567060183e+00 5.110579093e+02 6.190563216e+02 4.353888207e+01 2.104306374e+01 4.143286968e+03 0.72 7.147116146e+00 5.043845964e+02 6.077700489e+02 4.294168372e+01 2.081820676e+01 4.082028039e+03 0.74 6.727172109e+00 4.977115966e+02 5.964842808e+02 4.234549942e+01 2.059336001e+01 4.020769110e+03 0.76 6.307228072e+00 4.910389160e+02 5.851990130e+02 4.175033362e+01 2.036850006e+01 3.959513856e+03 0.78 5.887284035e+00 4.843665607e+02 5.739142388e+02 4.115618595e+01 2.014360468e+01 3.898265982e+03 0.80 5.467339998e+00 4.776945363e+02 5.626299535e+02 4.056305178e+01 1.991865315e+01 3.837017219e+03 0.82 5.047395961e+00 4.710228504e+02 5.513461511e+02 3.997092277e+01 1.969362649e+01 3.775767015e+03 0.84 4.627451924e+00 4.643515177e+02 5.400628275e+02 3.937978748e+01 1.946850769e+01 3.714515141e+03 0.86 4.207507887e+00 4.576805552e+02 5.287799754e+02 3.878963195e+01 1.924328188e+01 3.653261593e+03 0.88 3.787563850e+00 4.510099797e+02 5.174975900e+02 3.820044029e+01 1.899749014e+01 3.592006532e+03 0.90 3.367619813e+00 4.443398056e+02 5.062156653e+02 3.761219526e+01 1.873440236e+01 3.530750228e+03 0.92 2.963176665e+00 4.376700517e+02 4.949341969e+02 3.702487888e+01 1.847272651e+01 3.469493018e+03 0.94 2.553807081e+00 4.310007325e+02 4.836531791e+02 3.643847292e+01 1.821178674e+01 3.408235271e+03 0.96 2.127554780e+00 4.243318651e+02 4.723726051e+02 3.585295948e+01 1.795112824e+01 3.346977360e+03 0.98 1.675534969e+00 4.176634653e+02 4.610924716e+02 3.526832143e+01 1.769047307e+01 3.285719640e+03 1.00 1.189553550e+00 4.109955500e+02 4.498127849e+02 3.468454291e+01 1.742968213e+01 3.224462429e+03 1.02 6.765764214e-01 4.043281355e+02 4.385335676e+02 3.410160971e+01 1.716872259e+01 3.163206000e+03 1.04 1.583643664e-01 3.976612383e+02 4.272548426e+02 3.351950968e+01 1.690764028e+01 3.101950572e+03 1.06 -3.427068035e-01 3.909948753e+02 4.159766342e+02 3.293823302e+01 1.664653653e+01 3.040696306e+03 1.08 -8.042745136e-01 3.843290608e+02 4.046989644e+02 3.235777259e+01 1.638554908e+01 2.979443303e+03 1.10 -1.212800343e+00 3.776638128e+02 3.934218560e+02 3.177812418e+01 1.612483639e+01 2.918191609e+03 1.12 -1.579634763e+00 3.709991476e+02 3.821453332e+02 3.119928662e+01 1.586456523e+01 2.856941214e+03 1.14 -1.920475928e+00 3.643350805e+02 3.708694189e+02 3.062126202e+01 1.560490094e+01 2.795692062e+03 1.16 -2.251028765e+00 3.576716289e+02 3.595941361e+02 3.004405582e+01 1.534600010e+01 2.734444054e+03 1.18 -2.585611485e+00 3.510088094e+02 3.483195088e+02 2.946767687e+01 1.508800530e+01 2.673197056e+03 1.20 -2.925546584e+00 3.443466370e+02 3.370455587e+02 2.889213742e+01 1.483104164e+01 2.611950906e+03 1.22 -3.265033158e+00 3.376851289e+02 3.257723089e+02 2.831745313e+01 1.457521474e+01 2.550705424e+03 1.24 -3.598189594e+00 3.310243016e+02 3.144997845e+02 2.774364298e+01 1.432060995e+01 2.489460419e+03 1.26 -3.919198532e+00 3.243641706e+02 3.032280070e+02 2.717072920e+01 1.406729261e+01 2.428215695e+03 1.28 -4.225473893e+00 3.177047539e+02 2.919569997e+02 2.659873709e+01 1.381530908e+01 2.366971059e+03 1.30 -4.519430663e+00 3.110460661e+02 2.806867868e+02 2.602769492e+01 1.356468835e+01 2.305726329e+03 1.32 -4.803901925e+00 3.043881242e+02 2.694173898e+02 2.545763369e+01 1.331544412e+01 2.244481339e+03 1.34 -5.081727008e+00 2.977309449e+02 2.581488476e+02 2.488858697e+01 1.306757719e+01 2.183235943e+03 1.36 -5.355262946e+00 2.910745475e+02 2.468812204e+02 2.432059060e+01 1.282107792e+01 2.121990019e+03 1.38 -5.624606501e+00 2.844189622e+02 2.356145714e+02 2.375368253e+01 1.257592884e+01 2.060743476e+03 1.40 -5.889185893e+00 2.777642217e+02 2.243489654e+02 2.318790251e+01 1.233210717e+01 1.999496250e+03 1.42 -6.148430222e+00 2.711103599e+02 2.130844657e+02 2.262329184e+01 1.208958719e+01 1.938248312e+03 1.44 -6.401719003e+00 2.644574102e+02 2.018211345e+02 2.205989313e+01 1.184834246e+01 1.876999662e+03 1.46 -6.647557445e+00 2.578054046e+02 1.905590385e+02 2.149775000e+01 1.160834777e+01 1.815750333e+03 1.48 -6.883688323e+00 2.511543754e+02 1.792982389e+02 2.093690687e+01 1.136958083e+01 1.754500385e+03 1.50 -7.107825480e+00 2.445043567e+02 1.680387995e+02 2.037740867e+01 1.113202361e+01 1.693249910e+03 1.52 -7.317687404e+00 2.378553827e+02 1.567807855e+02 1.981930064e+01 1.089566346e+01 1.631999018e+03 1.54 -7.511753561e+00 2.312074833e+02 1.455242589e+02 1.926262811e+01 1.066049379e+01 1.570747844e+03 1.56 -7.690389337e+00 2.245606940e+02 1.342810317e+02 1.870743632e+01 1.042651448e+01 1.509496534e+03 1.58 -7.854251557e+00 2.179038128e+02 1.230404875e+02 1.815377024e+01 1.019373205e+01 1.448245248e+03 1.60 -8.003542832e+00 2.111180336e+02 1.117923082e+02 1.760167443e+01 9.962159432e+00 1.386994150e+03 1.62 -8.185799010e+00 2.043394939e+02 1.005461944e+02 1.705119299e+01 9.731815575e+00 1.325743402e+03 1.64 -8.306391801e+00 1.975637967e+02 8.930976087e+01 1.650236943e+01 9.502724810e+00 1.264493161e+03 1.66 -8.408833244e+00 1.907982863e+02 7.808454173e+01 1.583115745e+01 9.274916028e+00 1.203243571e+03 1.68 -8.490366108e+00 1.840500169e+02 6.686708036e+01 1.520008774e+01 9.048421722e+00 1.141994757e+03 1.70 -8.548194633e+00 1.773219660e+02 5.577389126e+01 1.447425617e+01 8.823276956e+00 1.080746823e+03 1.72 -8.577571886e+00 1.706136117e+02 4.301985136e+01 1.364655811e+01 8.599518275e+00 1.019499840e+03 1.74 -8.570922048e+00 1.639231466e+02 3.427841272e+01 1.272165467e+01 8.377182638e+00 9.582538478e+02 1.76 -8.464659667e+00 1.572442592e+02 2.706429041e+01 1.171792515e+01 8.156306404e+00 8.970088476e+02 1.78 -8.388991283e+00 1.505931519e+02 2.121525516e+01 1.065429315e+01 7.936924432e+00 8.357647985e+02 1.80 -8.298588271e+00 1.439593840e+02 1.657656452e+01 9.549684146e+00 7.719069335e+00 7.745216152e+02 1.82 -8.194840271e+00 1.373412662e+02 1.298821725e+01 8.423050144e+00 7.502770942e+00 7.132791656e+02 1.84 -8.080185114e+00 1.307369501e+02 1.028876811e+01 7.293299169e+00 7.288056003e+00 6.520372702e+02 1.86 -7.957353456e+00 1.241444570e+02 8.316267820e+00 6.179376900e+00 7.074948184e+00 5.907957015e+02 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