# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Ni # implementation = 2004--Zhou-X-W--Ni--LAMMPS--ipr1 # composition = Ni # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 6.669156767e+02 nan 0.74 nan nan nan nan nan nan nan nan 5.974285631e+02 nan 0.76 nan nan nan nan nan 4.625833492e+02 nan nan 5.358919287e+02 nan 0.78 nan nan nan nan nan 4.160368121e+02 nan nan 4.812756106e+02 nan 0.80 nan nan nan nan nan 3.746186460e+02 nan nan 4.326910973e+02 nan 0.82 nan nan nan nan nan 3.376947255e+02 nan nan 3.893809154e+02 nan 0.84 nan nan nan nan nan 3.047383232e+02 nan nan 3.507055775e+02 nan 0.86 nan nan nan nan nan 2.752827559e+02 nan nan 3.161170070e+02 nan 0.88 nan nan nan 6.798672749e+02 6.798740505e+02 2.489092983e+02 nan nan 2.851406795e+02 4.283347148e+02 0.90 nan 3.796268790e+02 nan 6.202100878e+02 6.202081008e+02 2.252501789e+02 3.923584392e+02 nan 2.573642376e+02 3.886830433e+02 0.92 nan 3.440095040e+02 nan 5.662215403e+02 5.662200482e+02 2.039855210e+02 3.560793974e+02 nan 2.324255692e+02 3.529081708e+02 0.94 nan 3.118734598e+02 nan 5.172938573e+02 5.173011413e+02 1.848394412e+02 3.233227830e+02 nan 2.100054015e+02 3.205937253e+02 0.96 nan 2.828465332e+02 nan 4.728854123e+02 4.729043799e+02 1.675818972e+02 2.936974837e+02 nan 1.898240892e+02 2.913898309e+02 0.98 nan 2.566057705e+02 nan 4.325217594e+02 4.325486756e+02 1.520203866e+02 2.668793194e+02 3.967991430e+02 1.716377577e+02 2.649809084e+02 1.00 3.957497615e+02 2.328614113e+02 3.486099963e+02 3.957941423e+02 3.958210945e+02 1.379844025e+02 2.425893597e+02 3.626447501e+02 1.552314541e+02 2.410730835e+02 1.02 3.623254991e+02 2.113517072e+02 3.185286261e+02 3.623460272e+02 3.623662352e+02 1.253130329e+02 2.205755403e+02 3.315752603e+02 1.404136926e+02 2.194010382e+02 1.04 3.318635149e+02 1.918458355e+02 2.911526348e+02 3.318593829e+02 3.318704986e+02 1.138523351e+02 2.006090526e+02 3.032772159e+02 1.270154419e+02 1.997330934e+02 1.06 3.040637543e+02 1.741435634e+02 2.662078560e+02 3.040452708e+02 3.040484417e+02 1.034633862e+02 1.824854210e+02 2.774705026e+02 1.148911734e+02 1.818654327e+02 1.08 2.786625181e+02 1.580704762e+02 2.434522266e+02 2.786422704e+02 2.786401961e+02 9.402952512e+01 1.660218858e+02 2.539096484e+02 1.039162031e+02 1.656150703e+02 1.10 2.554303069e+02 1.434676753e+02 2.226705535e+02 2.554176409e+02 2.554140664e+02 8.545413039e+01 1.510517974e+02 2.323803787e+02 9.398009403e+01 1.508177319e+02 1.12 2.341666874e+02 1.301907836e+02 2.036720111e+02 2.341671724e+02 2.341663699e+02 7.765380853e+01 1.374230384e+02 2.126958739e+02 8.498149581e+01 1.373307961e+02 1.14 2.146944808e+02 1.181107056e+02 1.862924612e+02 2.147100856e+02 2.147151905e+02 7.055515506e+01 1.250000358e+02 1.946910088e+02 7.682623314e+01 1.250345126e+02 1.16 1.968553567e+02 1.071127275e+02 1.703903404e+02 1.968839425e+02 1.968956140e+02 6.409403272e+01 1.136671344e+02 1.782175044e+02 6.942871745e+01 1.138268296e+02 1.18 1.805048760e+02 9.709555026e+01 1.558370523e+02 1.805407376e+02 1.805573436e+02 5.821320398e+01 1.033267726e+02 1.631390847e+02 6.271353420e+01 1.036146787e+02 1.20 1.655133917e+02 8.797057069e+01 1.425124198e+02 1.655479259e+02 1.655665661e+02 5.285972559e+01 9.389412943e+01 1.493304197e+02 5.661447695e+01 9.430778503e+01 1.22 1.517645898e+02 7.965744096e+01 1.303067644e+02 1.517879811e+02 1.518053719e+02 4.798384329e+01 8.529104515e+01 1.366764827e+02 5.107261742e+01 8.581806526e+01 1.24 1.391492769e+02 7.208036937e+01 1.191221604e+02 1.391549217e+02 1.391684641e+02 4.353934023e+01 7.744424226e+01 1.250711438e+02 4.603500109e+01 7.806390405e+01 1.26 1.275626909e+02 6.516982820e+01 1.088715843e+02 1.275514463e+02 1.275599657e+02 3.948498868e+01 7.028520154e+01 1.144178694e+02 4.145396122e+01 7.097428768e+01 1.28 1.169081193e+02 5.886517591e+01 9.947505971e+01 1.168880308e+02 1.168918723e+02 3.578479783e+01 6.375027786e+01 1.046316326e+02 3.728635967e+01 6.448871963e+01 1.30 1.071019975e+02 5.311413059e+01 9.085672049e+01 1.070834397e+02 1.070839141e+02 3.240692750e+01 5.778044512e+01 9.563876700e+01 3.349319068e+01 5.855507641e+01 1.32 9.807410647e+01 4.786924833e+01 8.294290832e+01 9.806439072e+01 9.806296049e+01 2.932112884e+01 5.232196964e+01 8.737471316e+01 3.003947345e+01 5.312697159e+01 1.34 8.976353536e+01 4.308533505e+01 7.566625245e+01 8.976507302e+01 8.976291290e+01 2.649888961e+01 4.732778178e+01 7.978076164e+01 2.689403192e+01 4.816146841e+01 1.36 8.211531078e+01 3.871957846e+01 6.896958255e+01 8.212647717e+01 8.212453973e+01 2.391456566e+01 4.275806142e+01 7.280264611e+01 2.402903383e+01 4.361841026e+01 1.38 7.507774154e+01 3.473369278e+01 6.280631292e+01 7.509520120e+01 7.509459386e+01 2.154612662e+01 3.857856130e+01 6.639011861e+01 2.141938101e+01 3.946025856e+01 1.40 6.860225846e+01 3.109460196e+01 5.713742348e+01 6.862237167e+01 6.862439734e+01 1.937506229e+01 3.475818241e+01 6.049684748e+01 1.904187701e+01 3.565317713e+01 1.42 6.264302839e+01 2.777347100e+01 5.192782925e+01 6.266251670e+01 6.266822266e+01 1.738550386e+01 3.126737271e+01 5.507977262e+01 1.687499825e+01 3.216676195e+01 1.44 5.715759470e+01 2.474392462e+01 4.714463281e+01 5.717361041e+01 5.718307401e+01 1.556367018e+01 2.807780497e+01 5.009885716e+01 1.489950369e+01 2.897377473e+01 1.46 5.210642257e+01 2.198076793e+01 4.275569654e+01 5.211687885e+01 5.212894690e+01 1.389681799e+01 2.516262038e+01 4.551713022e+01 1.309866721e+01 2.604942251e+01 1.48 4.745340386e+01 1.946001670e+01 3.872927931e+01 4.745723796e+01 4.746987610e+01 1.237274779e+01 2.249699609e+01 4.130107126e+01 1.145795670e+01 2.337092575e+01 1.50 4.316509181e+01 1.715972083e+01 3.503425471e+01 4.316291856e+01 4.317414656e+01 1.097982840e+01 2.005845475e+01 3.742050052e+01 9.964319923e+00 2.091692914e+01 1.52 3.921072568e+01 1.506086627e+01 3.164112910e+01 3.920492736e+01 3.921353573e+01 9.706404335e+00 1.782668391e+01 3.384839002e+01 8.605496888e+00 1.866722936e+01 1.54 3.556315374e+01 1.314724697e+01 2.852327134e+01 3.555696802e+01 3.556263328e+01 8.541699692e+00 1.578339921e+01 3.056106180e+01 7.370251915e+00 1.660383552e+01 1.56 3.219909118e+01 1.140477207e+01 2.565717911e+01 3.219520748e+01 3.219814691e+01 7.475826836e+00 1.391189012e+01 2.753768043e+01 6.248373734e+00 1.471112385e+01 1.58 2.909852968e+01 9.820328543e+00 2.302212663e+01 2.909818208e+01 2.909878133e+01 6.499649970e+00 1.219717103e+01 2.475958638e+01 5.230203919e+00 1.297558270e+01 1.60 2.624373841e+01 8.381049883e+00 2.059920913e+01 2.624650620e+01 2.624510070e+01 5.604399913e+00 1.062601191e+01 2.220913748e+01 4.307112888e+00 1.138509306e+01 1.62 2.361806111e+01 7.074080223e+00 1.837129953e+01 2.362242414e+01 2.361927042e+01 4.782069973e+00 9.187015963e+00 1.986892599e+01 3.471314744e+00 9.928402771e+00 1.64 2.120525555e+01 5.886741950e+00 1.632323583e+01 2.120934520e+01 2.120469376e+01 4.025956709e+00 7.870291032e+00 1.772170562e+01 2.715471687e+00 8.595076050e+00 1.66 1.898913673e+01 4.806944694e+00 1.444176675e+01 1.899120037e+01 1.898535338e+01 3.330730461e+00 6.667122870e+00 1.575038833e+01 2.032386917e+00 7.375542953e+00 1.68 1.695322397e+01 3.823707331e+00 1.271519557e+01 1.695215810e+01 1.694559934e+01 2.692247024e+00 5.569418158e+00 1.393875320e+01 1.414978849e+00 6.261104124e+00 1.70 1.508095219e+01 2.927847229e+00 1.113251483e+01 1.507671393e+01 1.507016266e+01 2.106953742e+00 4.569891046e+00 1.227211428e+01 8.564998198e-01 5.244149842e+00 1.72 1.335661986e+01 2.111434421e+00 9.682814543e+00 1.335025070e+01 1.334456822e+01 1.571494910e+00 3.661255264e+00 1.073779323e+01 3.508749793e-01 4.317512748e+00 1.74 1.176637186e+01 1.368084663e+00 8.355015225e+00 1.175963409e+01 1.175562212e+01 1.082450535e+00 2.836166924e+00 9.325256747e+00 -1.070522262e-01 3.474439806e+00 1.76 1.029888650e+01 6.925587516e-01 7.138075424e+00 1.029355577e+01 1.029174754e+01 6.363164707e-01 2.087412175e+00 8.025595966e+00 -5.215317541e-01 2.708666897e+00 1.78 8.945038348e+00 8.028977079e-02 6.021465551e+00 8.942420623e+00 8.943007495e+00 2.294891898e-01 1.408113680e+00 6.830960881e+00 -8.960234728e-01 2.014120127e+00 1.80 7.697316346e+00 -4.729188410e-01 4.995773753e+00 7.697978763e+00 7.700909972e+00 -1.415419056e-01 7.919773354e-01 5.734109550e+00 -1.233529388e+00 1.384920980e+00 1.82 6.548820237e+00 -9.710362416e-01 4.053084173e+00 6.552701641e+00 6.557800619e+00 -4.799847521e-01 2.333877664e-01 4.728059450e+00 -1.536824297e+00 8.151077822e-01 1.84 5.492966855e+00 -1.417908803e+00 3.187427413e+00 5.499685219e+00 5.506786038e+00 -7.885345176e-01 -2.723976978e-01 3.806268805e+00 -1.808643538e+00 2.988210797e-01 1.86 4.523337649e+00 -1.817196763e+00 2.393773136e+00 4.532362987e+00 4.541274738e+00 -1.069389009e+00 -7.294606669e-01 2.962923342e+00 -2.051753672e+00 -1.694088604e-01 1.88 3.633806520e+00 -2.172482061e+00 1.667574514e+00 3.644590637e+00 3.655032119e+00 -1.324459882e+00 -1.141405194e+00 2.192235654e+00 -2.268866919e+00 -5.944047740e-01 1.90 2.819116020e+00 -2.487278683e+00 1.004672237e+00 2.830979137e+00 2.842453573e+00 -1.555462722e+00 -1.511536157e+00 1.488805318e+00 -2.462538339e+00 -9.799362128e-01 1.92 2.074022978e+00 -2.765129210e+00 4.008231560e-01 2.086144895e+00 2.097921904e+00 -1.764172713e+00 -1.842975889e+00 8.475296743e-01 -2.635051230e+00 -1.329016222e+00 1.94 1.393606228e+00 -3.009599676e+00 -1.482977898e-01 1.405082174e+00 1.416275847e+00 -1.952438339e+00 -2.138793090e+00 2.636551927e-01 -2.788394426e+00 -1.644155269e+00 1.96 7.731250690e-01 -3.224213841e+00 -6.470168719e-01 7.830478835e-01 7.927634712e-01 -2.122135182e+00 -2.401922456e+00 -2.672434744e-01 -2.924305633e+00 -1.927733324e+00 1.98 2.079415902e-01 -3.412319999e+00 -1.099462687e+00 2.155790442e-01 2.230701889e-01 -2.275016702e+00 -2.635239485e+00 -7.493054532e-01 -3.044291275e+00 -2.182228620e+00 2.00 -3.065610263e-01 -3.576999045e+00 -1.509533538e+00 -3.016602149e-01 -2.968602418e-01 -2.412734123e+00 -2.841415800e+00 -1.186440344e+00 -3.149729752e+00 -2.410363436e+00 2.02 -7.748034277e-01 -3.720872687e+00 -1.880653788e+00 -7.727735207e-01 -7.708121229e-01 -2.536622557e+00 -3.022984656e+00 -1.582303137e+00 -3.241913743e+00 -2.614900375e+00 2.04 -1.200882087e+00 -3.846108171e+00 -2.215898298e+00 -1.201566834e+00 -1.202297750e+00 -2.647831044e+00 -3.182360143e+00 -1.940242457e+00 -3.322080953e+00 -2.798479426e+00 2.06 -1.588346415e+00 -3.954482622e+00 -2.517978598e+00 -1.591386412e+00 -1.594463524e+00 -2.747316733e+00 -3.321844761e+00 -2.263293887e+00 -3.391387021e+00 -2.963345857e+00 2.08 -1.940171338e+00 -4.047365882e+00 -2.789307830e+00 -1.945139618e+00 -1.950132783e+00 -2.835889576e+00 -3.443636868e+00 -2.554078583e+00 -3.450891147e+00 -3.111244060e+00 2.10 -2.258832777e+00 -4.125951432e+00 -3.032038968e+00 -2.265307377e+00 -2.271798686e+00 -2.913876672e+00 -3.549761362e+00 -2.814989046e+00 -3.501460365e+00 -3.243457182e+00 2.12 -2.546449260e+00 -4.191215634e+00 -3.248106079e+00 -2.554090210e+00 -2.561732583e+00 -2.981065043e+00 -3.642055009e+00 -3.048250727e+00 -3.543852769e+00 -3.360960999e+00 2.14 -2.805108718e+00 -4.244074489e+00 -3.439259480e+00 -2.813616776e+00 -2.822125758e+00 -3.037341011e+00 -3.722133623e+00 -3.255962132e+00 -3.578391663e+00 -3.464577521e+00 2.16 -3.036701348e+00 -4.285402758e+00 -3.607084543e+00 -3.045845325e+00 -3.054989900e+00 -3.082719328e+00 -3.791384773e+00 -3.440217582e+00 -3.604714967e+00 -3.555100779e+00 2.18 -3.243175716e+00 -4.316060765e+00 -3.753152377e+00 -3.252749546e+00 -3.262323761e+00 -3.117316187e+00 -3.850949067e+00 -3.603076788e+00 -3.622568784e+00 -3.633354369e+00 2.20 -3.426510795e+00 -4.336897974e+00 -3.878905592e+00 -3.436268736e+00 -3.446026925e+00 -3.141342857e+00 -3.901727767e+00 -3.746528353e+00 -3.631876623e+00 -3.700227726e+00 2.22 -3.588712076e+00 -4.348773901e+00 -3.985814148e+00 -3.598333856e+00 -3.607961653e+00 -3.155092976e+00 -3.944419485e+00 -3.872431759e+00 -3.632740481e+00 -3.756661531e+00 2.24 -3.731767418e+00 -4.352546582e+00 -4.075467161e+00 -3.740859492e+00 -3.749955719e+00 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