# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1995--Angelo-J-E-Moody-N-R-Baskes-M-I--Ni-Al-H # implementation = EAM_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005 # 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 H Al Ni H H H Ni Ni Ni 0.02 9.981034822e+01 5.149679722e+00 1.463620920e+02 3.406366451e+01 2.444221022e+02 6.344089459e+01 0.04 9.433791730e+01 5.012998953e+00 1.375311203e+02 3.043197541e+01 2.210108851e+02 5.960289773e+01 0.06 8.913175171e+01 4.874331978e+00 1.291692911e+02 2.709291832e+01 1.996776317e+02 5.596026465e+01 0.08 8.417923303e+01 4.720771964e+00 1.212528254e+02 2.402590919e+01 1.802460820e+02 5.250325396e+01 0.10 7.946793619e+01 4.530785768e+00 1.137589117e+02 2.120670688e+01 1.625564671e+02 4.922203527e+01 0.12 7.498531748e+01 4.345878700e+00 1.066654184e+02 1.861998634e+01 1.465536561e+02 4.610641765e+01 0.14 7.071821743e+01 4.162760177e+00 9.995041222e+01 1.625212641e+01 1.321603947e+02 4.314547668e+01 0.16 6.665287422e+01 3.919184579e+00 9.359196404e+01 1.408456703e+01 1.192311262e+02 4.032717157e+01 0.18 6.277927327e+01 3.607514153e+00 8.757116190e+01 1.210288102e+01 1.076716978e+02 3.763903136e+01 0.20 5.911141230e+01 3.223513332e+00 8.188732923e+01 1.029335356e+01 9.738029067e+01 3.507371139e+01 0.22 5.570000446e+01 2.771895013e+00 7.657298739e+01 8.643214218e+00 8.825546781e+01 3.264875571e+01 0.24 5.249989278e+01 2.282418084e+00 7.161943820e+01 7.140565007e+00 8.019644552e+01 3.041513016e+01 0.26 4.946749361e+01 1.783092272e+00 6.698525862e+01 5.774327221e+00 7.310076881e+01 2.834624980e+01 0.28 4.661335544e+01 1.269254138e+00 6.264559874e+01 4.534185799e+00 6.686729174e+01 2.638915753e+01 0.30 4.392905718e+01 7.513510550e-01 5.859727501e+01 3.410540287e+00 6.139775133e+01 2.456062166e+01 0.32 4.140925345e+01 2.437039677e-01 5.482714739e+01 2.394457572e+00 5.661130628e+01 2.285273151e+01 0.34 3.904916930e+01 -2.385229315e-01 5.132340156e+01 1.477627787e+00 5.242287203e+01 2.125979176e+01 0.36 3.684442556e+01 -6.476421953e-01 4.807439624e+01 6.523234304e-01 4.872936271e+01 1.977609557e+01 0.38 3.479090170e+01 -9.798118678e-01 4.506863980e+01 -8.863963136e-02 4.544206397e+01 1.839606748e+01 0.40 3.288465350e+01 -1.262981358e+00 4.229477741e+01 -7.519377682e-01 4.248529963e+01 1.711437654e+01 0.42 3.113130750e+01 -1.510405470e+00 3.974156402e+01 -1.343773875e+00 3.979430277e+01 1.592598372e+01 0.44 2.954534422e+01 -1.727961556e+00 3.739784024e+01 -1.869908531e+00 3.731444785e+01 1.482616459e+01 0.46 2.811409375e+01 -1.919045751e+00 3.525401101e+01 -2.335689979e+00 3.500070539e+01 1.381049364e+01 0.48 2.682298858e+01 -2.086317247e+00 3.330692806e+01 -2.746081483e+00 3.281699666e+01 1.287480836e+01 0.50 2.566160362e+01 -2.232274096e+00 3.154580382e+01 -3.105687442e+00 3.073538032e+01 1.201517234e+01 0.52 2.462145258e+01 -2.359400649e+00 2.995547762e+01 -3.418777354e+00 2.873510158e+01 1.122780570e+01 0.54 2.369457707e+01 -2.470148148e+00 2.852209836e+01 -3.689308503e+00 2.680161711e+01 1.050904842e+01 0.56 2.287292554e+01 -2.566853856e+00 2.723571803e+01 -3.920946763e+00 2.492556977e+01 9.855302878e+00 0.58 2.214811728e+01 -2.651646753e+00 2.609010388e+01 -4.117086128e+00 2.310182013e+01 9.262982859e+00 0.60 2.151141763e+01 -2.726365346e+00 2.507233186e+01 -4.280866480e+00 2.132852297e+01 8.728478464e+00 0.62 2.096086389e+01 -2.792497225e+00 2.416728236e+01 -4.415190070e+00 1.960630514e+01 8.248998780e+00 0.64 2.051278771e+01 -2.851142910e+00 2.336095349e+01 -4.522736476e+00 1.793750016e+01 7.827675312e+00 0.66 2.015893875e+01 -2.902997142e+00 2.264059571e+01 -4.605976770e+00 1.632551752e+01 7.465022441e+00 0.68 1.987565721e+01 -2.948335126e+00 2.199443999e+01 -4.667187800e+00 1.477429649e+01 7.154231823e+00 0.70 1.964207836e+01 -2.986983811e+00 2.141252264e+01 -4.708469544e+00 1.328787143e+01 6.887214410e+00 0.72 1.944219829e+01 -3.018250371e+00 2.089093043e+01 -4.731771521e+00 1.187002664e+01 6.656856605e+00 0.74 1.926360528e+01 -3.040774210e+00 2.042384602e+01 -4.738940825e+00 1.052406734e+01 6.457121138e+00 0.76 1.909636671e+01 -3.052282602e+00 2.000004101e+01 -4.731815747e+00 9.252658588e+00 6.282793907e+00 0.78 1.893235127e+01 -3.049351695e+00 1.960783886e+01 -4.712405467e+00 8.057760594e+00 6.129276187e+00 0.80 1.876483600e+01 -3.027831851e+00 1.923715602e+01 -4.683210906e+00 6.940633660e+00 5.992457037e+00 0.82 1.858826900e+01 -2.986268393e+00 1.887965632e+01 -4.647711929e+00 5.901907433e+00 5.868641694e+00 0.84 1.839811310e+01 -2.932865855e+00 1.852850637e+01 -4.610862080e+00 4.941689631e+00 5.754512378e+00 0.86 1.819073132e+01 -2.877367620e+00 1.817812648e+01 -4.578923768e+00 4.059641132e+00 5.647108820e+00 0.88 1.796329414e+01 -2.821833459e+00 1.782400977e+01 -4.557408721e+00 3.254780843e+00 5.543796978e+00 0.90 1.771369923e+01 -2.767270498e+00 1.746255850e+01 -4.546895094e+00 2.524481937e+00 5.442301687e+00 0.92 1.744049744e+01 -2.714568894e+00 1.709099705e+01 -4.540318010e+00 1.863031695e+00 5.340636145e+00 0.94 1.714282486e+01 -2.664481008e+00 1.670726443e+01 -4.526406682e+00 1.264107809e+00 5.237129422e+00 0.96 1.682033855e+01 -2.617607712e+00 1.630993734e+01 -4.496550913e+00 7.235730059e-01 5.130398856e+00 0.98 1.647315602e+01 -2.574390048e+00 1.589815689e+01 -4.447962580e+00 2.376380389e-01 5.019334338e+00 1.00 1.610179834e+01 -2.535105430e+00 1.547156107e+01 -4.382121074e+00 -1.975153004e-01 4.903080262e+00 1.02 1.570713682e+01 -2.499868837e+00 1.503022156e+01 -4.302146003e+00 -5.856829975e-01 4.781016214e+00 1.04 1.529034310e+01 -2.468634764e+00 1.457458479e+01 -4.211224993e+00 -9.305864259e-01 4.652736909e+00 1.06 1.485284283e+01 -2.441203129e+00 1.410541652e+01 -4.112075933e+00 -1.235841354e+00 4.518031657e+00 1.08 1.439627262e+01 -2.417231060e+00 1.362375047e+01 -4.006900145e+00 -1.504925227e+00 4.376863773e+00 1.10 1.392244043e+01 -2.396259115e+00 1.313084052e+01 -3.897476931e+00 -1.741155313e+00 4.229350163e+00 1.12 1.343328909e+01 -2.377774527e+00 1.262811692e+01 -3.785262691e+00 -1.947670652e+00 4.075741399e+00 1.14 1.293086322e+01 -2.361347888e+00 1.211714117e+01 -3.671462070e+00 -2.127425577e+00 3.916402437e+00 1.16 1.241727887e+01 -2.346890357e+00 1.159958676e+01 -3.557073335e+00 -2.283176443e+00 3.751794192e+00 1.18 1.189469716e+01 -2.334907017e+00 1.107717982e+01 -3.442917709e+00 -2.417482836e+00 3.582456082e+00 1.20 1.136530030e+01 -2.326193222e+00 1.055169064e+01 -3.329659681e+00 -2.532705993e+00 3.408989655e+00 1.22 1.083127140e+01 -2.320933733e+00 1.002490072e+01 -3.217823854e+00 -2.631011760e+00 3.232043388e+00 1.24 1.029477777e+01 -2.318788718e+00 9.498581417e+00 -3.107810840e+00 -2.714375296e+00 3.052298703e+00 1.26 9.757957929e+00 -2.319372337e+00 8.974475837e+00 -2.999912727e+00 -2.784587555e+00 2.870457365e+00 1.28 9.222913001e+00 -2.322309567e+00 8.454283987e+00 -2.894328569e+00 -2.843263164e+00 2.687233699e+00 1.30 8.691702709e+00 -2.327236822e+00 7.939651561e+00 -2.791179614e+00 -2.891849162e+00 2.503333672e+00 1.32 8.166346814e+00 -2.333805050e+00 7.432165409e+00 -2.690523888e+00 -2.931634700e+00 2.319453400e+00 1.34 7.648832629e+00 -2.341680373e+00 6.933338086e+00 -2.592369848e+00 -2.963761560e+00 2.136281786e+00 1.36 7.141129276e+00 -2.350546123e+00 6.444625233e+00 -2.496687991e+00 -2.989233990e+00 1.954476422e+00 1.38 6.645208906e+00 -2.360103218e+00 5.967415330e+00 -2.403421922e+00 -3.008929601e+00 1.774669275e+00 1.40 6.163074170e+00 -2.370070263e+00 5.503041217e+00 -2.312498328e+00 -3.023610055e+00 1.597461357e+00 1.42 5.696786889e+00 -2.380184536e+00 5.052787670e+00 -2.223832659e+00 -3.033930876e+00 1.423420795e+00 1.44 5.248488827e+00 -2.390201604e+00 4.617900088e+00 -2.137337391e+00 -3.040452178e+00 1.253082285e+00 1.46 4.820384224e+00 -2.399895473e+00 4.199585909e+00 -2.052925490e+00 -3.043649362e+00 1.086947801e+00 1.48 4.414629029e+00 -2.409059126e+00 3.798998856e+00 -1.970514612e+00 -3.043920719e+00 9.254886213e-01 1.50 4.033015210e+00 -2.417503949e+00 3.417184168e+00 -1.890029537e+00 -3.041596925e+00 7.691485590e-01 1.52 3.676304414e+00 -2.425060301e+00 3.054950706e+00 -1.811404419e+00 -3.036949638e+00 6.183482933e-01 1.54 3.343239677e+00 -2.431577472e+00 2.712641283e+00 -1.734581987e+00 -3.030200207e+00 4.734905321e-01 1.56 3.030164979e+00 -2.436922330e+00 2.389853043e+00 -1.659517853e+00 -3.021526619e+00 3.349655057e-01 1.58 2.733191596e+00 -2.440982464e+00 2.085423606e+00 -1.586174246e+00 -3.011068762e+00 2.031557807e-01 1.60 2.450887833e+00 -2.443661430e+00 1.798158139e+00 -1.514526324e+00 -2.998937779e+00 7.843846808e-02 1.62 2.182977431e+00 -2.444882111e+00 1.527611747e+00 -1.444557330e+00 -2.985218254e+00 -3.881897350e-02 1.64 1.929195009e+00 -2.444586083e+00 1.273660365e+00 -1.376256298e+00 -2.969975244e+00 -1.482747046e-01 1.66 1.689227464e+00 -2.442729018e+00 1.036045258e+00 -1.309623222e+00 -2.953261229e+00 -2.496530880e-01 1.68 1.462722211e+00 -2.439284538e+00 8.142530279e-01 -1.244662438e+00 -2.935114174e+00 -3.428205364e-01 1.70 1.249293242e+00 -2.434244278e+00 6.074571074e-01 -1.181379715e+00 -2.915563562e+00 -4.279066807e-01 1.72 1.048531741e+00 -2.427610758e+00 4.146329679e-01 -1.119789062e+00 -2.894639786e+00 -5.054401219e-01 1.74 8.600081266e-01 -2.419398636e+00 2.348969226e-01 -1.059908450e+00 -2.872370685e+00 -5.763710739e-01 1.76 6.832803741e-01 -2.409638817e+00 6.765918352e-02 -1.001749576e+00 -2.848769524e+00 -6.417752626e-01 1.78 5.178986100e-01 -2.398374799e+00 -8.756896483e-02 -9.453286663e-01 -2.823866926e+00 -7.023608377e-01 1.80 3.634098345e-01 -2.385657217e+00 -2.312820803e-01 -8.906655250e-01 -2.797702229e+00 -7.584021666e-01 1.82 2.193621504e-01 -2.371543253e+00 -3.639768572e-01 -8.377801173e-01 -2.770318654e+00 -8.100780381e-01 1.84 8.530806448e-02 -2.355830445e+00 -4.861509912e-01 -7.866772729e-01 -2.741463698e+00 -8.575646509e-01 1.86 -3.919133603e-02 -2.338606227e+00 -5.982987011e-01 -7.373619494e-01 -2.711180498e+00 -9.010379662e-01 1.88 -1.545636350e-01 -2.320313239e+00 -7.009088051e-01 -6.898523743e-01 -2.679908257e+00 -9.406749229e-01 1.90 -2.612250867e-01 -2.301296049e+00 -7.944620447e-01 -6.441628322e-01 -2.647988673e+00 -9.766505413e-01 1.92 -3.595743142e-01 -2.281817447e+00 -8.794247450e-01 -6.003032119e-01 -2.615683040e+00 -1.009137933e+00 1.94 -4.499943859e-01 -2.262126743e+00 -9.562545999e-01 -5.582845164e-01 -2.583252409e+00 -1.038311043e+00 1.96 -5.328486570e-01 -2.242461501e+00 -1.025392044e+00 -5.181327968e-01 -2.550982678e+00 -1.064330806e+00 1.98 -6.084816301e-01 -2.222163122e+00 -1.087262286e+00 -4.797982301e-01 -2.518122527e+00 -1.087363410e+00 2.00 -6.772176647e-01 -2.200649377e+00 -1.142272654e+00 -4.432282043e-01 -2.484007040e+00 -1.107566691e+00 2.02 -7.393613137e-01 -2.177542066e+00 -1.190812303e+00 -4.083798108e-01 -2.448209615e+00 -1.125094584e+00 2.04 -7.951983014e-01 -2.152626687e+00 -1.233251315e+00 -3.752171371e-01 -2.410495337e+00 -1.140096195e+00 2.06 -8.449976934e-01 -2.125817888e+00 -1.269940444e+00 -3.437090345e-01 -2.370780955e+00 -1.152715721e+00 2.08 -8.890157206e-01 -2.097130076e+00 -1.301211431e+00 -3.138273018e-01 -2.329100742e+00 -1.163092394e+00 2.10 -9.275020105e-01 -2.066650423e+00 -1.327377350e+00 -2.855349115e-01 -2.285569833e+00 -1.171360448e+00 2.12 -9.607089891e-01 -2.034603323e+00 -1.348733971e+00 -2.586863819e-01 -2.240405187e+00 -1.177649230e+00 2.14 -9.889025562e-01 -2.001461074e+00 -1.365567476e+00 -2.333051887e-01 -2.194191483e+00 -1.182082983e+00 2.16 -1.012378767e+00 -1.967636799e+00 -1.378152277e+00 -2.094441268e-01 -2.147464371e+00 -1.184778127e+00 2.18 -1.031487356e+00 -1.933453354e+00 -1.386761906e+00 -1.871272158e-01 -2.100645241e+00 -1.185854129e+00 2.20 -1.046634717e+00 -1.899159846e+00 -1.391679210e+00 -1.663554920e-01 -2.054062133e+00 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