# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2018--Pan-Z-Borovikov-V-Mendelev-M-I-Sansoz-F--Ag-Ni # implementation = 2018--Pan-Z--Ag-Ni--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 Ag Ag Ag Ni Ni Ni 0.02 4.000000000e+13 4.000039048e+13 4.000078096e+13 0.04 1.500000000e+13 1.500039048e+13 1.500078096e+13 0.06 6.666666669e+12 6.667057148e+12 6.667447628e+12 0.08 2.500000002e+12 2.500390481e+12 2.500780961e+12 0.10 2.864722559e+04 3.065951882e+08 6.131654273e+08 0.12 8.976233961e+04 5.707082994e+04 3.655547787e+04 0.14 6.697738675e+04 4.291563571e+04 2.772636954e+04 0.16 5.128670139e+04 3.310674244e+04 2.156701070e+04 0.18 4.007779820e+04 2.605495020e+04 1.710853995e+04 0.20 3.184059406e+04 2.083951274e+04 1.378815672e+04 0.22 2.564869616e+04 1.689415449e+04 1.125884329e+04 0.24 2.090674187e+04 1.385387779e+04 9.296297980e+03 0.26 1.721766719e+04 1.147441255e+04 7.749921624e+03 0.28 1.430857424e+04 9.587206778e+03 6.515405279e+03 0.30 1.198718588e+04 8.072978153e+03 5.518613330e+03 0.32 1.011517110e+04 6.845502712e+03 4.705700830e+03 0.34 8.591219529e+03 5.841317790e+03 4.036833178e+03 0.36 7.339977332e+03 5.012980116e+03 3.482070469e+03 0.38 6.304628898e+03 4.324535509e+03 3.018598076e+03 0.40 5.441813218e+03 3.748405755e+03 2.628819003e+03 0.42 4.718073657e+03 3.263207369e+03 2.299013477e+03 0.44 4.107337164e+03 2.852198110e+03 2.018380529e+03 0.46 3.589098002e+03 2.502151275e+03 1.778342011e+03 0.48 3.147091886e+03 2.202530001e+03 1.572030228e+03 0.50 2.768316667e+03 1.944876870e+03 1.393906038e+03 0.52 2.442301217e+03 1.722355135e+03 1.239470987e+03 0.54 2.160554252e+03 1.529401259e+03 1.105048268e+03 0.56 1.916145053e+03 1.361459398e+03 9.876145672e+02 0.58 1.703381852e+03 1.214776802e+03 8.846698365e+02 0.60 1.517563193e+03 1.086244953e+03 7.941356827e+02 0.62 1.354784297e+03 9.732753309e+02 7.142755051e+02 0.64 1.211785209e+03 8.737015892e+02 6.436313179e+02 0.66 1.085830950e+03 7.857020488e+02 5.809734599e+02 0.68 9.746163064e+02 7.077379182e+02 5.252603375e+02 0.70 8.761897656e+02 6.385037705e+02 4.756060192e+02 0.72 7.888923890e+02 5.768876259e+02 4.312539983e+02 0.74 7.113084188e+02 5.219386087e+02 3.915558512e+02 0.76 6.422251595e+02 4.728406102e+02 3.559537974e+02 0.78 5.806002253e+02 4.288907394e+02 3.239663815e+02 0.80 5.255346707e+02 3.894816078e+02 2.951766690e+02 0.82 4.762508428e+02 3.540867039e+02 2.692224720e+02 0.84 4.320740462e+02 3.222482636e+02 2.457882235e+02 0.86 3.924172968e+02 2.935671703e+02 2.246002032e+02 0.88 3.567685909e+02 2.676945112e+02 2.054193604e+02 0.90 3.246802329e+02 2.443244902e+02 1.880327375e+02 0.92 2.957598531e+02 2.231884576e+02 1.722527841e+02 0.94 2.696628195e+02 2.040498630e+02 1.579139688e+02 0.96 2.460858069e+02 1.866999775e+02 1.448698726e+02 0.98 2.247613259e+02 1.709542520e+02 1.329907106e+02 1.00 2.054530545e+02 1.566492022e+02 1.221612137e+02 1.02 1.879518421e+02 1.436397407e+02 1.123099204e+02 1.04 1.720722797e+02 1.317968838e+02 1.033597512e+02 1.06 1.576497463e+02 1.210057760e+02 9.520811194e+01 1.08 1.445378597e+02 1.111639829e+02 8.776577021e+01 1.10 1.326062707e+02 1.021800139e+02 8.095496108e+01 1.12 1.217387492e+02 9.393702164e+01 7.470778679e+01 1.14 1.118315206e+02 8.633728251e+01 6.896486067e+01 1.16 1.027918153e+02 7.932897451e+01 6.367415516e+01 1.18 9.453660318e+01 7.286470102e+01 5.879002054e+01 1.20 8.699148543e+01 6.690108621e+01 5.427234685e+01 1.22 8.006529492e+01 6.139841109e+01 5.008584612e+01 1.24 7.368128642e+01 5.632028454e+01 4.619943582e+01 1.26 6.779558276e+01 5.163334591e+01 4.258570791e+01 1.28 6.236802622e+01 4.730699575e+01 3.922047002e+01 1.30 5.736184756e+01 4.331315216e+01 3.608234790e+01 1.32 5.274336567e+01 3.962602985e+01 3.315243979e+01 1.34 4.848171515e+01 3.622193997e+01 3.041401492e+01 1.36 4.454859910e+01 3.307910848e+01 2.785224973e+01 1.38 4.091806471e+01 3.017751120e+01 2.545399621e+01 1.40 3.756629940e+01 2.749872415e+01 2.320757781e+01 1.42 3.447144559e+01 2.502578738e+01 2.110260905e+01 1.44 3.161343230e+01 2.274308124e+01 1.912983560e+01 1.46 2.897382192e+01 2.063621380e+01 1.728099206e+01 1.48 2.653567084e+01 1.869191829e+01 1.554867521e+01 1.50 2.428340253e+01 1.689795976e+01 1.392623086e+01 1.52 2.220269193e+01 1.524304997e+01 1.240765264e+01 1.54 2.028036007e+01 1.371676975e+01 1.098749153e+01 1.56 1.850427809e+01 1.230949822e+01 9.660774962e+00 1.58 1.686327958e+01 1.101234810e+01 8.422934691e+00 1.60 1.534708068e+01 9.817106684e+00 7.269742591e+00 1.62 1.394620710e+01 8.716181861e+00 6.197253892e+00 1.64 1.265192749e+01 7.702552743e+00 5.201757263e+00 1.66 1.145619253e+01 6.769724519e+00 4.279731347e+00 1.68 1.035157927e+01 5.911687109e+00 3.427807346e+00 1.70 9.331240289e+00 5.122877301e+00 2.642737345e+00 1.72 8.388857063e+00 4.398144051e+00 1.921368019e+00 1.74 7.518597402e+00 3.732716663e+00 1.260619439e+00 1.76 6.715076421e+00 3.122175596e+00 6.574686381e-01 1.78 5.973320810e+00 2.562425676e+00 1.089376076e-01 1.80 5.288736085e+00 2.049671479e+00 -3.879146134e-01 1.82 4.657076579e+00 1.580394725e+00 -8.359961463e-01 1.84 4.074417913e+00 1.151333481e+00 -1.238183165e+00 1.86 3.537131749e+00 7.594630360e-01 -1.597317894e+00 1.88 3.041862610e+00 4.019782970e-01 -1.916204153e+00 1.90 2.585506613e+00 7.627757537e-02 -2.197601566e+00 1.92 2.165191919e+00 -2.200523529e-01 -2.430038385e+00 1.94 1.778260786e+00 -4.892500212e-01 -2.609105505e+00 1.96 1.422253068e+00 -7.333919791e-01 -2.746252975e+00 1.98 1.094891035e+00 -9.544045200e-01 -2.850750897e+00 2.00 7.940654276e-01 -1.154074514e+00 -2.930024755e+00 2.02 5.178226081e-01 -1.334059414e+00 -2.989952599e+00 2.04 2.643527454e-01 -1.495896516e+00 -3.035126422e+00 2.06 3.197893046e-02 -1.641011512e+00 -3.069080554e+00 2.08 -1.808528476e-01 -1.770726424e+00 -3.094489862e+00 2.10 -3.755829381e-01 -1.886266935e+00 -3.113340371e+00 2.12 -5.535465427e-01 -1.988769197e+00 -3.127074831e+00 2.14 -7.159815653e-01 -2.079286136e+00 -3.136715654e+00 2.16 -8.640358521e-01 -2.158793300e+00 -3.142967498e+00 2.18 -9.987738726e-01 -2.228194292e+00 -3.146301684e+00 2.20 -1.121182885e+00 -2.288325813e+00 -3.147024530e+00 2.22 -1.232178629e+00 -2.339962348e+00 -3.145331520e+00 2.24 -1.332610583e+00 -2.383820522e+00 -3.141349184e+00 2.26 -1.423266822e+00 -2.420563156e+00 -3.135166387e+00 2.28 -1.504878505e+00 -2.450803029e+00 -3.126856648e+00 2.30 -1.578124024e+00 -2.475106398e+00 -3.116492989e+00 2.32 -1.643632844e+00 -2.493996259e+00 -3.104156684e+00 2.34 -1.701989048e+00 -2.507955398e+00 -3.089941187e+00 2.36 -1.753734623e+00 -2.517429224e+00 -3.073952394e+00 2.38 -1.799372500e+00 -2.522828420e+00 -3.056306266e+00 2.40 -1.839369366e+00 -2.524531429e+00 -3.037124754e+00 2.42 -1.874158270e+00 -2.523480549e+00 -3.016530828e+00 2.44 -1.904141038e+00 -2.520302860e+00 -2.994643313e+00 2.46 -1.929690506e+00 -2.514941984e+00 -2.971572113e+00 2.48 -1.951152599e+00 -2.507413855e+00 -2.947414292e+00 2.50 -1.968848245e+00 -2.497794875e+00 -2.922251370e+00 2.52 -1.983075161e+00 -2.486209840e+00 -2.896148076e+00 2.54 -1.994109507e+00 -2.472819931e+00 -2.869152679e+00 2.56 -2.002047611e+00 -2.457811121e+00 -2.841298919e+00 2.58 -2.006580549e+00 -2.441383235e+00 -2.812609433e+00 2.60 -2.008546043e+00 -2.423739930e+00 -2.783100455e+00 2.62 -2.008558862e+00 -2.405079768e+00 -2.752787476e+00 2.64 -2.006941325e+00 -2.385588563e+00 -2.721691406e+00 2.66 -2.003837039e+00 -2.365433114e+00 -2.689844689e+00 2.68 -1.999294164e+00 -2.344756415e+00 -2.657296697e+00 2.70 -1.993323353e+00 -2.323674386e+00 -2.624117621e+00 2.72 -1.985935094e+00 -2.302274139e+00 -2.590399954e+00 2.74 -1.977160744e+00 -2.280613757e+00 -2.556256559e+00 2.76 -1.967061145e+00 -2.258723503e+00 -2.521814185e+00 2.78 -1.955726265e+00 -2.236608388e+00 -2.487201208e+00 2.80 -1.943268919e+00 -2.214251921e+00 -2.452528215e+00 2.82 -1.929815169e+00 -2.191620899e+00 -2.417863610e+00 2.84 -1.915493617e+00 -2.168670999e+00 -2.383241967e+00 2.86 -1.900425346e+00 -2.145352926e+00 -2.348691157e+00 2.88 -1.884715881e+00 -2.121618829e+00 -2.314235668e+00 2.90 -1.868450080e+00 -2.097428665e+00 -2.279896996e+00 2.92 -1.851690501e+00 -2.072756119e+00 -2.245694011e+00 2.94 -1.834479302e+00 -2.047593716e+00 -2.211643288e+00 2.96 -1.816843359e+00 -2.021956647e+00 -2.177759410e+00 2.98 -1.798801855e+00 -1.995884865e+00 -2.144055244e+00 3.00 -1.780375164e+00 -1.969442902e+00 -2.110542183e+00 3.02 -1.761593432e+00 -1.942715687e+00 -2.077230378e+00 3.04 -1.742502853e+00 -1.915790590e+00 -2.044128931e+00 3.06 -1.723167195e+00 -1.888742943e+00 -2.011246073e+00 3.08 -1.703661732e+00 -1.861636116e+00 -1.978589324e+00 3.10 -1.684056291e+00 -1.834522849e+00 -1.946165625e+00 3.12 -1.664387799e+00 -1.807446480e+00 -1.913981463e+00 3.14 -1.644664450e+00 -1.780442092e+00 -1.882042962e+00 3.16 -1.624892636e+00 -1.753537573e+00 -1.850355979e+00 3.18 -1.605079821e+00 -1.726754589e+00 -1.818926168e+00 3.20 -1.585234365e+00 -1.700109484e+00 -1.787759041e+00 3.22 -1.565365359e+00 -1.673614100e+00 -1.756860009e+00 3.24 -1.545482471e+00 -1.647276523e+00 -1.726234419e+00 3.26 -1.525595810e+00 -1.621101770e+00 -1.695887571e+00 3.28 -1.505715794e+00 -1.595092400e+00 -1.665824741e+00 3.30 -1.485853040e+00 -1.569249072e+00 -1.636051176e+00 3.32 -1.466018260e+00 -1.543571036e+00 -1.606572091e+00 3.34 -1.446222161e+00 -1.518056578e+00 -1.577392672e+00 3.36 -1.426475346e+00 -1.492703410e+00 -1.548518051e+00 3.38 -1.406788248e+00 -1.467509005e+00 -1.519953286e+00 3.40 -1.387171082e+00 -1.442470886e+00 -1.491703337e+00 3.42 -1.367633760e+00 -1.417586876e+00 -1.463773043e+00 3.44 -1.348185813e+00 -1.392855313e+00 -1.436167086e+00 3.46 -1.328836415e+00 -1.368275232e+00 -1.408889966e+00 3.48 -1.309594307e+00 -1.343846490e+00 -1.381945959e+00 3.50 -1.290467710e+00 -1.319569829e+00 -1.355339090e+00 3.52 -1.271464433e+00 -1.295447005e+00 -1.329073093e+00 3.54 -1.252591723e+00 -1.271480868e+00 -1.303151379e+00 3.56 -1.233856286e+00 -1.247675247e+00 -1.277577003e+00 3.58 -1.215264389e+00 -1.224035041e+00 -1.252352635e+00 3.60 -1.196821601e+00 -1.200566290e+00 -1.227480536e+00 3.62 -1.178533151e+00 -1.177275850e+00 -1.202962516e+00 3.64 -1.160403517e+00 -1.154171658e+00 -1.178799900e+00 3.66 -1.142436859e+00 -1.131262465e+00 -1.154993521e+00 3.68 -1.124636613e+00 -1.108557705e+00 -1.131543728e+00 3.70 -1.107005922e+00 -1.086067720e+00 -1.108450373e+00 3.72 -1.089547203e+00 -1.063803066e+00 -1.085712675e+00 3.74 -1.072262691e+00 -1.041775215e+00 -1.063329344e+00 3.76 -1.055153802e+00 -1.019995430e+00 -1.041298678e+00 3.78 -1.038221990e+00 -9.984758175e-01 -1.019618198e+00 3.80 -1.021467755e+00 -9.772278763e-01 -9.982850197e-01 3.82 -1.004891794e+00 -9.562637956e-01 -9.772958335e-01 3.84 -9.884939547e-01 -9.355949176e-01 -9.566464487e-01 3.86 -9.722740111e-01 -9.152327853e-01 -9.363327591e-01 3.88 -9.562316091e-01 -8.951884357e-01 -9.163494634e-01 3.90 -9.403655003e-01 -8.754718706e-01 -8.966916183e-01 3.92 -9.246750759e-01 -8.560936354e-01 -8.773529893e-01 3.94 -9.091587932e-01 -8.370619353e-01 -8.583279729e-01 3.96 -8.938149772e-01 -8.183852712e-01 -8.396094006e-01 3.98 -8.786426383e-01 -8.000714208e-01 -8.211913725e-01 4.00 -8.636394356e-01 -7.821253770e-01 -8.030658133e-01 4.02 -8.488034168e-01 -7.645530455e-01 -7.852266194e-01 4.04 -8.341334592e-01 -7.473588414e-01 -7.676655162e-01 4.06 -8.196268694e-01 -7.305437729e-01 -7.503752114e-01 4.08 -8.052813281e-01 -7.141100928e-01 -7.333493467e-01 4.10 -7.910957406e-01 -6.980593438e-01 -7.165783903e-01 4.12 -7.770680164e-01 -6.823877161e-01 -7.000568037e-01 4.14 -7.631950187e-01 -6.670926932e-01 -6.837774733e-01 4.16 -7.494754091e-01 -6.521724259e-01 -6.677309146e-01 4.18 -7.359087339e-01 -6.376218134e-01 -6.519130756e-01 4.20 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