# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Al-Co # implementation = 2015--Purja-Pun-G-P--Al-Co--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 Al Al Al Co Co Co 0.02 5.160114800e+01 3.700231534e+04 2.575359305e+04 0.04 5.059945043e+01 3.605330388e+04 2.524333308e+04 0.06 4.952704636e+01 3.506655233e+04 2.471069694e+04 0.08 4.838945193e+01 3.404677823e+04 2.415740586e+04 0.10 4.719218359e+01 3.299869902e+04 2.358518111e+04 0.12 4.594075768e+01 3.192703197e+04 2.299574392e+04 0.14 4.464069017e+01 3.083649411e+04 2.239081555e+04 0.16 4.329749616e+01 2.973180232e+04 2.177211724e+04 0.18 4.191668959e+01 2.861767357e+04 2.114137024e+04 0.20 4.050378280e+01 2.749882516e+04 2.050029581e+04 0.22 3.906428618e+01 2.637997476e+04 1.985061519e+04 0.24 3.760370769e+01 2.526584031e+04 1.919404964e+04 0.26 3.612755256e+01 2.416113977e+04 1.853232039e+04 0.28 3.464132286e+01 2.307059108e+04 1.786714870e+04 0.30 3.315051711e+01 2.199891214e+04 1.720025582e+04 0.32 3.166062991e+01 2.095010310e+04 1.653336300e+04 0.34 3.017715160e+01 1.992529365e+04 1.586819147e+04 0.36 2.870556787e+01 1.892489580e+04 1.520646249e+04 0.38 2.725135947e+01 1.794932152e+04 1.454989731e+04 0.40 2.582000183e+01 1.699898277e+04 1.390021716e+04 0.42 2.441976589e+01 1.607394777e+04 1.325928055e+04 0.44 2.307011993e+01 1.517290998e+04 1.262949496e+04 0.46 2.179332723e+01 1.429421913e+04 1.201340515e+04 0.48 2.061164472e+01 1.343622495e+04 1.141355585e+04 0.50 1.954732294e+01 1.259727715e+04 1.083249181e+04 0.52 1.857590258e+01 1.179171338e+04 1.027184577e+04 0.54 1.764319569e+01 1.103775200e+04 9.731152364e+03 0.56 1.674803080e+01 1.033180320e+04 9.210043005e+03 0.58 1.588950492e+01 9.670482118e+03 8.708152153e+03 0.60 1.506671540e+01 9.050682334e+03 8.225114270e+03 0.62 1.427876018e+01 8.469550675e+03 7.760563814e+03 0.64 1.352473804e+01 7.924464377e+03 7.314135246e+03 0.66 1.280374890e+01 7.413010331e+03 6.885463025e+03 0.68 1.211489398e+01 6.932966263e+03 6.474181610e+03 0.70 1.145727609e+01 6.482283662e+03 6.079925463e+03 0.72 1.082999969e+01 6.059072261e+03 5.702329042e+03 0.74 1.023217119e+01 5.661585984e+03 5.341026805e+03 0.76 9.662898949e+00 5.288210171e+03 4.995653215e+03 0.78 9.121293481e+00 4.937450002e+03 4.665842730e+03 0.80 8.606467542e+00 4.607919976e+03 4.351229808e+03 0.82 8.117536209e+00 4.298334379e+03 4.051448909e+03 0.84 7.653616928e+00 4.007498628e+03 3.766134494e+03 0.86 7.213829618e+00 3.734301413e+03 3.494921022e+03 0.88 6.797296680e+00 3.477707574e+03 3.237442952e+03 0.90 6.403143025e+00 3.236751632e+03 2.993334744e+03 0.92 6.030496116e+00 3.010531922e+03 2.762230857e+03 0.94 5.678485953e+00 2.798205274e+03 2.543765752e+03 0.96 5.346245079e+00 2.598982176e+03 2.337573887e+03 0.98 5.032908568e+00 2.412122397e+03 2.143289722e+03 1.00 4.737613996e+00 2.236931007e+03 1.960547716e+03 1.02 4.459502195e+00 2.072754772e+03 1.788982329e+03 1.04 4.197727450e+00 1.918978885e+03 1.628228023e+03 1.06 3.951465882e+00 1.775023986e+03 1.477919256e+03 1.08 3.719915154e+00 1.640343480e+03 1.337690487e+03 1.10 3.502294402e+00 1.514421084e+03 1.207176176e+03 1.12 3.297844190e+00 1.396768622e+03 1.086010784e+03 1.14 3.105826423e+00 1.286923995e+03 9.738287615e+02 1.16 2.925524330e+00 1.184449389e+03 8.702645831e+02 1.18 2.756242338e+00 1.088929584e+03 7.749527016e+02 1.20 2.597306033e+00 9.999704748e+02 6.875275768e+02 1.22 2.448062081e+00 9.171977034e+02 6.076236685e+02 1.24 2.307878150e+00 8.402554265e+02 5.348754367e+02 1.26 2.176142834e+00 7.688051946e+02 4.689173413e+02 1.28 2.052265566e+00 7.025249314e+02 4.093838387e+02 1.30 1.935676565e+00 6.411080294e+02 3.559093959e+02 1.32 1.825826717e+00 5.842624900e+02 3.081284689e+02 1.34 1.722187518e+00 5.317101826e+02 2.656755179e+02 1.36 1.624250988e+00 4.831861522e+02 2.281850031e+02 1.38 1.531529594e+00 4.384379971e+02 1.952913841e+02 1.40 1.443556161e+00 3.972253036e+02 1.666291213e+02 1.42 1.359883801e+00 3.593191317e+02 1.418326737e+02 1.44 1.280085845e+00 3.245015573e+02 1.205365035e+02 1.46 1.203755737e+00 2.925652407e+02 1.023750697e+02 1.48 1.130506987e+00 2.633130511e+02 8.698283255e+01 1.50 1.059973081e+00 2.365577187e+02 7.399425207e+01 1.52 9.918074207e-01 2.121215207e+02 6.304547161e+01 1.54 9.256832412e-01 1.898359982e+02 5.380017326e+01 1.56 8.612935552e-01 1.695416955e+02 4.597733936e+01 1.58 7.983510846e-01 1.510879285e+02 3.934500368e+01 1.60 7.365881904e-01 1.343325676e+02 3.371122228e+01 1.62 6.757568209e-01 1.191418481e+02 2.891679290e+01 1.64 6.156284469e-01 1.053901953e+02 2.482936509e+01 1.66 5.559940108e-01 9.296006547e+01 2.133866398e+01 1.68 4.966638740e-01 8.174180297e+01 1.835260695e+01 1.70 4.374677605e-01 7.163350936e+01 1.579413852e+01 1.72 3.782547241e-01 6.254092641e+01 1.359864407e+01 1.74 3.188930860e-01 5.437732696e+01 1.171183118e+01 1.76 2.592704059e-01 4.706341909e+01 1.008799074e+01 1.78 1.992934397e-01 4.052725751e+01 8.688565825e+00 1.80 1.388881038e-01 3.470416329e+01 7.480971540e+00 1.82 7.799944102e-02 2.953645962e+01 6.437619512e+00 1.84 1.659159776e-02 2.497130115e+01 5.535110128e+00 1.86 -4.535220786e-02 2.095850917e+01 4.753561892e+00 1.88 -1.078297139e-01 1.745032696e+01 4.076053771e+00 1.90 -1.708196265e-01 1.440137180e+01 3.488160538e+00 1.92 -2.342816425e-01 1.176859121e+01 2.977564744e+00 1.94 -2.981564648e-01 9.511223257e+00 2.533732156e+00 1.96 -3.623658124e-01 7.590760769e+00 2.147639728e+00 1.98 -4.268124297e-01 5.970918682e+00 1.811547209e+00 2.00 -4.913800892e-01 4.617604950e+00 1.518805110e+00 2.02 -5.559344022e-01 3.498893297e+00 1.263692751e+00 2.04 -6.203316181e-01 2.584999376e+00 1.041281732e+00 2.06 -6.844274150e-01 1.848258714e+00 8.473204279e-01 2.08 -7.480777039e-01 1.263106796e+00 6.781362080e-01 2.10 -8.111386132e-01 8.060609784e-01 5.305524909e-01 2.12 -8.734664850e-01 4.557040864e-01 4.018182962e-01 2.14 -9.349178533e-01 1.926695187e-01 2.895483187e-01 2.16 -9.953494394e-01 -3.723784563e-04 1.916718340e-01 2.18 -1.054618127e+00 -1.387266001e-01 1.063891427e-01 2.20 -1.112580940e+00 -2.356847474e-01 3.213432893e-02 2.22 -1.169095023e+00 -3.025352884e-01 -3.245660311e-02 2.24 -1.224017615e+00 -3.485729373e-01 -8.857303339e-02 2.26 -1.277206016e+00 -3.811072386e-01 -1.372531530e-01 2.28 -1.328517557e+00 -4.054704434e-01 -1.794040919e-01 2.30 -1.377809573e+00 -4.250247575e-01 -2.158192416e-01 2.32 -1.424939358e+00 -4.412486054e-01 -2.471931668e-01 2.34 -1.469764130e+00 -4.546180997e-01 -2.741344724e-01 2.36 -1.512140989e+00 -4.654874969e-01 -2.971769127e-01 2.38 -1.551926871e+00 -4.741730681e-01 -3.167889965e-01 2.40 -1.588978499e+00 -4.809569517e-01 -3.333822991e-01 2.42 -1.623186463e+00 -4.860906285e-01 -3.473186673e-01 2.44 -1.654577512e+00 -4.897980546e-01 -3.589164703e-01 2.46 -1.683212153e+00 -4.922784847e-01 -3.684560257e-01 2.48 -1.709150462e+00 -4.937090176e-01 -3.761843190e-01 2.50 -1.732452027e+00 -4.942468886e-01 -3.823191109e-01 2.52 -1.753175881e+00 -4.940315334e-01 -3.870525156e-01 2.54 -1.771380431e+00 -4.931864477e-01 -3.905541202e-01 2.56 -1.787123390e+00 -4.918208594e-01 -3.929737106e-01 2.58 -1.800461704e+00 -4.900312333e-01 -3.944436513e-01 2.60 -1.811451466e+00 -4.879026244e-01 -3.950809673e-01 2.62 -1.820147836e+00 -4.855098942e-01 -3.949891669e-01 2.64 -1.826604957e+00 -4.829188031e-01 -3.942598389e-01 2.66 -1.830875857e+00 -4.801869918e-01 -3.929740539e-01 2.68 -1.833012360e+00 -4.773648619e-01 -3.912035939e-01 2.70 -1.833064981e+00 -4.744963648e-01 -3.890120317e-01 2.72 -1.831082821e+00 -4.716197107e-01 -3.864556819e-01 2.74 -1.827113459e+00 -4.687680016e-01 -3.835844366e-01 2.76 -1.821202829e+00 -4.659697984e-01 -3.804425008e-01 2.78 -1.813395108e+00 -4.632496286e-01 -3.770690425e-01 2.80 -1.803732576e+00 -4.606284379e-01 -3.734987634e-01 2.82 -1.792258786e+00 -4.581230524e-01 -3.697624063e-01 2.84 -1.779028992e+00 -4.557437309e-01 -3.658871985e-01 2.86 -1.764101485e+00 -4.534973589e-01 -3.618972486e-01 2.88 -1.747534643e+00 -4.513886955e-01 -3.578138943e-01 2.90 -1.729387105e+00 -4.494206365e-01 -3.536560112e-01 2.92 -1.709717943e+00 -4.475944529e-01 -3.494402866e-01 2.94 -1.688586826e+00 -4.459100018e-01 -3.451814618e-01 2.96 -1.666054186e+00 -4.443659149e-01 -3.408925471e-01 2.98 -1.642181367e+00 -4.429597664e-01 -3.365850124e-01 3.00 -1.617030773e+00 -4.416882222e-01 -3.322689569e-01 3.02 -1.590666015e+00 -4.405471734e-01 -3.279532586e-01 3.04 -1.563153249e+00 -4.395317670e-01 -3.236457095e-01 3.06 -1.534564181e+00 -4.386363157e-01 -3.193531330e-01 3.08 -1.504973175e+00 -4.378546238e-01 -3.150814904e-01 3.10 -1.474456581e+00 -4.371801311e-01 -3.108359753e-01 3.12 -1.443092858e+00 -4.366059859e-01 -3.066210971e-01 3.14 -1.410962682e+00 -4.361251123e-01 -3.024407552e-01 3.16 -1.378149044e+00 -4.357302674e-01 -2.982983066e-01 3.18 -1.344737343e+00 -4.354140936e-01 -2.941966243e-01 3.20 -1.310815460e+00 -4.351691652e-01 -2.901381512e-01 3.22 -1.276470071e+00 -4.349880286e-01 -2.861249461e-01 3.24 -1.241775450e+00 -4.348632392e-01 -2.821587276e-01 3.26 -1.206804751e+00 -4.347873943e-01 -2.782409099e-01 3.28 -1.171633800e+00 -4.347531620e-01 -2.743726375e-01 3.30 -1.136341100e+00 -4.347533084e-01 -2.705548150e-01 3.32 -1.101007830e+00 -4.347807201e-01 -2.667881341e-01 3.34 -1.065717827e+00 -4.348284283e-01 -2.630730970e-01 3.36 -1.030557549e+00 -4.348896278e-01 -2.594100383e-01 3.38 -9.956160315e-01 -4.349576962e-01 -2.557991447e-01 3.40 -9.609848107e-01 -4.350262123e-01 -2.522404707e-01 3.42 -9.267578439e-01 -4.350889724e-01 -2.487339551e-01 3.44 -8.930314074e-01 -4.351400076e-01 -2.452794341e-01 3.46 -8.599039745e-01 -4.351735987e-01 -2.418766542e-01 3.48 -8.274760780e-01 -4.351842921e-01 -2.385252820e-01 3.50 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-1.863328684e-01 3.86 -3.872986939e-01 -4.287617365e-01 -1.838402455e-01 3.88 -3.730350904e-01 -4.280442427e-01 -1.813853665e-01 3.90 -3.594913687e-01 -4.272867534e-01 -1.789674584e-01 3.92 -3.466342250e-01 -4.264889000e-01 -1.765857517e-01 3.94 -3.344297630e-01 -4.256503530e-01 -1.742394813e-01 3.96 -3.228435254e-01 -4.247706571e-01 -1.719278871e-01 3.98 -3.118405301e-01 -4.238493488e-01 -1.696502143e-01 4.00 -3.013853029e-01 -4.228859644e-01 -1.674057142e-01 4.02 -2.914442846e-01 -4.218798624e-01 -1.651936444e-01 4.04 -2.819929878e-01 -4.208303904e-01 -1.630132689e-01 4.06 -2.730089003e-01 -4.197368868e-01 -1.608638590e-01 4.08 -2.644691386e-01 -4.185985438e-01 -1.587446933e-01 4.10 -2.563504725e-01 -4.174143687e-01 -1.566550575e-01 4.12 -2.486293527e-01 -4.161834289e-01 -1.545942452e-01 4.14 -2.412819349e-01 -4.149047136e-01 -1.525615578e-01 4.16 -2.342841030e-01 -4.135770992e-01 -1.505563044e-01 4.18 -2.276114907e-01 -4.121991319e-01 -1.485778022e-01 4.20 -2.212395017e-01 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