# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Ag3Ni # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 3.698550979e+02 nan nan 0.92 3.391745227e+02 nan nan 0.94 3.117977247e+02 nan nan 0.96 2.872699489e+02 nan nan 0.98 2.651976758e+02 3.705313854e+02 nan 1.00 2.452525581e+02 3.421551942e+02 3.821545724e+02 1.02 2.271557493e+02 3.166249731e+02 3.533121831e+02 1.04 2.106697534e+02 2.935733919e+02 3.273312848e+02 1.06 1.955923058e+02 2.726854449e+02 3.038506277e+02 1.08 1.817524371e+02 2.536886230e+02 2.825579451e+02 1.10 1.690060280e+02 2.363474048e+02 2.631851928e+02 1.12 1.572279197e+02 2.204614676e+02 2.454961923e+02 1.14 1.463187773e+02 2.058590592e+02 2.292926625e+02 1.16 1.361887549e+02 1.923940513e+02 2.144011282e+02 1.18 1.267620403e+02 1.799362466e+02 2.006693372e+02 1.20 1.179761444e+02 1.683795924e+02 1.879697868e+02 1.22 1.097738798e+02 1.576309277e+02 1.761898969e+02 1.24 1.021078276e+02 1.476102475e+02 1.652339233e+02 1.26 9.493610254e+01 1.382468481e+02 1.550164685e+02 1.28 8.822295421e+01 1.294799947e+02 1.454680906e+02 1.30 8.193672897e+01 1.212595578e+02 1.365261859e+02 1.32 7.604862247e+01 1.135415499e+02 1.281378290e+02 1.34 7.053111098e+01 1.062863928e+02 1.202550430e+02 1.36 6.536238165e+01 9.946011950e+01 1.128366169e+02 1.38 6.052196185e+01 9.303375174e+01 1.058497387e+02 1.40 5.599005295e+01 8.697992800e+01 9.926242712e+01 1.42 5.174861432e+01 8.127419852e+01 9.304814003e+01 1.44 4.778026506e+01 7.589694873e+01 8.718264345e+01 1.46 4.406925408e+01 7.082916216e+01 8.164341703e+01 1.48 4.060236951e+01 6.605269281e+01 7.641222330e+01 1.50 3.736624472e+01 6.155217312e+01 7.147184097e+01 1.52 3.434742747e+01 5.731326288e+01 6.680612571e+01 1.54 3.153333680e+01 5.332167865e+01 6.239941120e+01 1.56 2.891263884e+01 4.956513010e+01 5.823810030e+01 1.58 2.647433678e+01 4.603152558e+01 5.431140617e+01 1.60 2.420739630e+01 4.270947316e+01 5.060755480e+01 1.62 2.210201213e+01 3.958644893e+01 4.711375692e+01 1.64 2.014863169e+01 3.665344128e+01 4.382159111e+01 1.66 1.833783415e+01 3.390142713e+01 4.072123560e+01 1.68 1.666108775e+01 3.132132329e+01 3.780314099e+01 1.70 1.511022913e+01 2.890401945e+01 3.505822098e+01 1.72 1.362796569e+01 2.664003193e+01 3.247811540e+01 1.74 1.228260888e+01 2.452254926e+01 3.005492205e+01 1.76 1.104516170e+01 2.254373429e+01 2.778069030e+01 1.78 9.888116905e+00 2.069609268e+01 2.564772612e+01 1.80 8.806396786e+00 1.897245516e+01 2.364918894e+01 1.82 7.796799968e+00 1.736596492e+01 2.177766674e+01 1.84 6.856099747e+00 1.587006594e+01 2.002594649e+01 1.86 5.980577220e+00 1.447815583e+01 1.838854731e+01 1.88 5.166705120e+00 1.313387105e+01 1.685941895e+01 1.90 4.411135483e+00 1.190734871e+01 1.543302877e+01 1.92 3.710562170e+00 1.077310908e+01 1.407616821e+01 1.94 3.061817767e+00 9.707107603e+00 1.281567531e+01 1.96 2.461876464e+00 8.706528819e+00 1.163571326e+01 1.98 1.907676800e+00 7.767956317e+00 1.054223507e+01 2.00 1.396645254e+00 6.888777598e+00 9.513274387e+00 2.02 9.267951402e-01 6.066116315e+00 8.545982634e+00 2.04 4.948547661e-01 5.297141756e+00 7.637556342e+00 2.06 9.847641265e-02 4.579114410e+00 6.785254734e+00 2.08 -2.646378638e-01 3.909375777e+00 5.986406260e+00 2.10 -5.966013774e-01 3.285221536e+00 5.238326544e+00 2.12 -8.996856045e-01 2.704401863e+00 4.537984446e+00 2.14 -1.175278306e+00 2.164559323e+00 3.883660675e+00 2.16 -1.425179559e+00 1.663258502e+00 3.272552349e+00 2.18 -1.651089101e+00 1.198400485e+00 2.702658623e+00 2.20 -1.854426716e+00 7.686688964e-01 2.172014253e+00 2.22 -2.036780364e+00 3.712777759e-01 1.678510989e+00 2.24 -2.199666199e+00 4.450748206e-03 1.220129804e+00 2.26 -2.344252566e+00 -3.335037575e-01 7.954990885e-01 2.28 -2.472051773e+00 -6.442841798e-01 4.021476294e-01 2.30 -2.584243023e+00 -9.295047169e-01 3.828333521e-02 2.32 -2.681935636e+00 -1.190698347e+00 -2.977278133e-01 2.34 -2.766173063e+00 -1.429319924e+00 -6.074755486e-01 2.36 -2.837936619e+00 -1.646749244e+00 -8.924738059e-01 2.38 -2.898216186e+00 -1.844281734e+00 -1.154163186e+00 2.40 -2.947833478e+00 -2.022926131e+00 -1.393915740e+00 2.42 -2.987701628e+00 -2.184338841e+00 -1.613299713e+00 2.44 -3.018519617e+00 -2.329354710e+00 -1.813252774e+00 2.46 -3.040827185e+00 -2.458859276e+00 -1.994808487e+00 2.48 -3.055337719e+00 -2.574076404e+00 -2.159093522e+00 2.50 -3.062839531e+00 -2.675940975e+00 -2.307587546e+00 2.52 -3.063825181e+00 -2.765690958e+00 -2.440805577e+00 2.54 -3.058838969e+00 -2.843947677e+00 -2.559870789e+00 2.56 -3.048398146e+00 -2.911314914e+00 -2.665726796e+00 2.58 -3.033001206e+00 -2.968540444e+00 -2.759222030e+00 2.60 -3.012588015e+00 -3.016329922e+00 -2.841159238e+00 2.62 -2.987995739e+00 -3.055348851e+00 -2.912297671e+00 2.64 -2.959734914e+00 -3.086224617e+00 -2.973355154e+00 2.66 -2.928159851e+00 -3.109538458e+00 -3.025010113e+00 2.68 -2.893900363e+00 -3.125759945e+00 -3.067903503e+00 2.70 -2.857003814e+00 -3.135491996e+00 -3.102640674e+00 2.72 -2.817734260e+00 -3.139260114e+00 -3.129793112e+00 2.74 -2.776366215e+00 -3.137526773e+00 -3.149889746e+00 2.76 -2.733155448e+00 -3.130727249e+00 -3.163332594e+00 2.78 -2.688458847e+00 -3.119294246e+00 -3.170986752e+00 2.80 -2.642555542e+00 -3.103651444e+00 -3.173413579e+00 2.82 -2.595458746e+00 -3.083886707e+00 -3.170629129e+00 2.84 -2.547208838e+00 -3.060209344e+00 -3.163037182e+00 2.86 -2.497924358e+00 -3.033304543e+00 -3.151018618e+00 2.88 -2.448005781e+00 -3.003468110e+00 -3.134929269e+00 2.90 -2.397585878e+00 -2.971001216e+00 -3.114896731e+00 2.92 -2.346802569e+00 -2.936398336e+00 -3.091142758e+00 2.94 -2.295780858e+00 -2.899630207e+00 -3.064302686e+00 2.96 -2.244636128e+00 -2.861204968e+00 -3.034653356e+00 2.98 -2.193645127e+00 -2.821035736e+00 -3.002454550e+00 3.00 -2.142803323e+00 -2.779325322e+00 -2.967950086e+00 3.02 -2.092111760e+00 -2.736262747e+00 -2.931368664e+00 3.04 -2.041652397e+00 -2.692023404e+00 -2.892924665e+00 3.06 -1.991500066e+00 -2.646773382e+00 -2.852818965e+00 3.08 -1.941727457e+00 -2.600564702e+00 -2.811239572e+00 3.10 -1.892455024e+00 -2.553487333e+00 -2.768362407e+00 3.12 -1.843665342e+00 -2.505784095e+00 -2.724351891e+00 3.14 -1.795447223e+00 -2.457638773e+00 -2.679362737e+00 3.16 -1.747750386e+00 -2.409162022e+00 -2.633517434e+00 3.18 -1.700489789e+00 -2.360457765e+00 -2.586780625e+00 3.20 -1.653834927e+00 -2.311621622e+00 -2.539361087e+00 3.22 -1.607896716e+00 -2.262741908e+00 -2.491773176e+00 3.24 -1.562678728e+00 -2.213900066e+00 -2.443891319e+00 3.26 -1.518204440e+00 -2.165171150e+00 -2.395751593e+00 3.28 -1.474492642e+00 -2.116624196e+00 -2.347447077e+00 3.30 -1.431558728e+00 -2.068322301e+00 -2.299063974e+00 3.32 -1.389420755e+00 -2.020323130e+00 -2.250681997e+00 3.34 -1.348080718e+00 -1.972679942e+00 -2.202374759e+00 3.36 -1.307554802e+00 -1.925440715e+00 -2.154210220e+00 3.38 -1.267863799e+00 -1.878646797e+00 -2.106251484e+00 3.40 -1.228990470e+00 -1.832355074e+00 -2.058611000e+00 3.42 -1.190925018e+00 -1.786808036e+00 -2.011421922e+00 3.44 -1.153679486e+00 -1.741742663e+00 -1.964589581e+00 3.46 -1.117246128e+00 -1.697089662e+00 -1.918158439e+00 3.48 -1.081581957e+00 -1.652985505e+00 -1.872164808e+00 3.50 -1.046702955e+00 -1.609528069e+00 -1.826664585e+00 3.52 -1.012647308e+00 -1.566725517e+00 -1.781693269e+00 3.54 -9.794502448e-01 -1.524586915e+00 -1.737148914e+00 3.56 -9.467872514e-01 -1.483128953e+00 -1.693039444e+00 3.58 -9.145492511e-01 -1.442368304e+00 -1.649510125e+00 3.60 -8.830646120e-01 -1.402307683e+00 -1.606616101e+00 3.62 -8.526109307e-01 -1.362960392e+00 -1.564358558e+00 3.64 -8.233833200e-01 -1.324341836e+00 -1.522754928e+00 3.66 -7.955112530e-01 -1.286449707e+00 -1.481814088e+00 3.68 -7.691661232e-01 -1.249282565e+00 -1.441553328e+00 3.70 -7.446616559e-01 -1.212841699e+00 -1.401979702e+00 3.72 -7.213316695e-01 -1.177125720e+00 -1.363095038e+00 3.74 -6.984890827e-01 -1.142109826e+00 -1.324918846e+00 3.76 -6.756621609e-01 -1.107798140e+00 -1.287461490e+00 3.78 -6.525457332e-01 -1.074196029e+00 -1.250704889e+00 3.80 -6.289618217e-01 -1.041310087e+00 -1.214650620e+00 3.82 -6.048280472e-01 -1.009150316e+00 -1.179300680e+00 3.84 -5.801324127e-01 -9.774930701e-01 -1.144652013e+00 3.86 -5.549133133e-01 -9.464020566e-01 -1.110667152e+00 3.88 -5.292438195e-01 -9.159258686e-01 -1.077367799e+00 3.90 -5.031379099e-01 -8.861743466e-01 -1.044764283e+00 3.92 -4.766567190e-01 -8.573423753e-01 -1.012878601e+00 3.94 -4.501948145e-01 -8.295935222e-01 -9.817591588e-01 3.96 -4.240725831e-01 -8.030857190e-01 -9.510086067e-01 3.98 -3.985315118e-01 -7.780457018e-01 -9.208218497e-01 4.00 -3.737494265e-01 -7.542032615e-01 -8.913348380e-01 4.02 -3.498530382e-01 -7.312975397e-01 -8.627304663e-01 4.04 -3.269282349e-01 -7.089739202e-01 -8.351689211e-01 4.06 -3.050285194e-01 -6.868140299e-01 -8.087609995e-01 4.08 -2.841819105e-01 -6.645066967e-01 -7.837047014e-01 4.10 -2.643965606e-01 -6.418549831e-01 -7.601560263e-01 4.12 -2.456653221e-01 -6.187500188e-01 -7.375839849e-01 4.14 -2.279694481e-01 -5.951516755e-01 -7.156265195e-01 4.16 -2.112815733e-01 -5.711332192e-01 -6.938856946e-01 4.18 -1.955681061e-01 -5.471535505e-01 -6.720427705e-01 4.20 -1.807911421e-01 -5.227494717e-01 -6.498915463e-01 4.22 -1.669099809e-01 -4.981115440e-01 -6.273131970e-01 4.24 -1.538823175e-01 -4.734135275e-01 -6.042557261e-01 4.26 -1.416651752e-01 -4.488448247e-01 -5.807172758e-01 4.28 -1.302266365e-01 -4.245902913e-01 -5.567326521e-01 4.30 -1.200693803e-01 -4.008444245e-01 -5.323503378e-01 4.32 -1.117207078e-01 -3.777537347e-01 -5.075368366e-01 4.34 -1.038831832e-01 -3.554251793e-01 -4.825302360e-01 4.36 -9.654129180e-02 -3.339336337e-01 -4.575819142e-01 4.38 -8.966481932e-02 -3.133281028e-01 -4.328753402e-01 4.40 -8.322529298e-02 -2.936368687e-01 -4.086189724e-01 4.42 -7.719574312e-02 -2.748717501e-01 -3.849769918e-01 4.44 -7.155067761e-02 -2.570316112e-01 -3.620708112e-01 4.46 -6.626604352e-02 -2.401052493e-01 -3.399870419e-01 4.48 -6.131917986e-02 -2.240737648e-01 -3.187841333e-01 4.50 -5.668876331e-02 -2.089124913e-01 -2.984978858e-01 4.52 -5.235756146e-02 -1.945925635e-01 -2.791460195e-01 4.54 -4.851608006e-02 -1.810821875e-01 -2.607319560e-01 4.56 -4.520553154e-02 -1.683476654e-01 -2.432479405e-01 4.58 -4.209910018e-02 -1.563542072e-01 -2.266776000e-01 4.60 -3.918437629e-02 -1.450665752e-01 -2.109980390e-01 4.62 -3.644968714e-02 -1.344495902e-01 -1.961815516e-01 4.64 -3.388405667e-02 -1.244685234e-01 -1.821970096e-01 4.66 -3.147716669e-02 -1.150893931e-01 -1.690109817e-01 4.68 -2.921931943e-02 -1.062791849e-01 -1.565886291e-01 4.70 -2.710140171e-02 -9.800601332e-02 -1.448944228e-01 4.72 -2.511485089e-02 -9.023922996e-02 -1.338927025e-01 4.74 -2.325162261e-02 -8.294949416e-02 -1.235481158e-01 4.76 -2.150416016e-02 -7.610881238e-02 -1.138259544e-01 4.78 -1.986536532e-02 -6.969454412e-02 -1.046985440e-01 4.80 -1.832857088e-02 -6.367627348e-02 -9.613860551e-02 4.82 -1.688751477e-02 -5.924987067e-02 -8.958157250e-02 4.84 -1.553631577e-02 -5.520987868e-02 -8.344637532e-02 4.86 -1.426945046e-02 -5.141547153e-02 -7.768562318e-02 4.88 -1.308173148e-02 -4.785215179e-02 -7.227742518e-02 4.90 -1.196828726e-02 -4.450615701e-02 -6.720090874e-02 4.92 -1.092454282e-02 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