# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Mendelev-M-I-Kramer-M-J-Hao-S-G-et-al--Ni # implementation = 2012--Mendelev-M-I--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 nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 4.043661918e+04 nan 0.78 nan nan nan nan nan nan nan nan 3.671296284e+04 nan 0.80 nan nan nan nan nan nan nan nan 3.335708023e+04 nan 0.82 nan nan nan nan nan 2.525536268e+04 nan nan 3.032494253e+04 nan 0.84 nan nan nan nan nan 2.286962735e+04 nan nan 2.757854215e+04 nan 0.86 nan nan nan nan nan 2.070334218e+04 nan nan 2.508485773e+04 nan 0.88 nan nan nan nan nan 1.873191205e+04 nan nan 2.281558820e+04 nan 0.90 nan nan nan nan nan 1.693408498e+04 nan nan 2.074611380e+04 nan 0.92 nan nan nan 4.357961295e+04 4.358002934e+04 1.529140889e+04 nan nan 1.885492319e+04 2.817713940e+04 0.94 nan 2.579474547e+04 nan 4.027106392e+04 4.027118364e+04 1.378774670e+04 2.631834968e+04 nan 1.712328010e+04 2.585197200e+04 0.96 nan 2.366389244e+04 nan 3.723574230e+04 3.723559879e+04 1.240890773e+04 2.415691216e+04 nan 1.553479288e+04 2.371866990e+04 0.98 nan 2.170627351e+04 nan 3.444652344e+04 3.444608785e+04 1.114236520e+04 2.217047657e+04 nan 1.407508314e+04 2.175814150e+04 1.00 nan 1.990465975e+04 nan 3.187911672e+04 3.187845050e+04 9.977092771e+03 2.034168762e+04 nan 1.273154684e+04 1.995328427e+04 1.02 nan 1.824385466e+04 nan 2.951237943e+04 2.951174677e+04 8.903718136e+03 1.865540168e+04 nan 1.149307244e+04 1.828909616e+04 1.04 nan 1.671070198e+04 2.436532608e+04 2.732724879e+04 2.732681115e+04 7.913437734e+03 1.709806058e+04 2.524708036e+04 1.034971208e+04 1.675229785e+04 1.06 2.530671607e+04 1.529313167e+04 2.251411565e+04 2.530657621e+04 2.530638353e+04 6.998326020e+03 1.565760057e+04 2.334426555e+04 9.292573973e+03 1.533101636e+04 1.08 2.343509882e+04 1.398046255e+04 2.079962216e+04 2.343516850e+04 2.343520993e+04 6.151382131e+03 1.432332831e+04 2.158226338e+04 8.313845823e+03 1.401467166e+04 1.10 2.169931462e+04 1.276305214e+04 1.920930686e+04 2.169953515e+04 2.169977503e+04 5.366397353e+03 1.308571767e+04 1.994843025e+04 7.406482955e+03 1.279381125e+04 1.12 2.008783564e+04 1.163235142e+04 1.773205786e+04 2.008810763e+04 2.008843834e+04 4.637852858e+03 1.193624085e+04 1.843153513e+04 6.564147975e+03 1.166017459e+04 1.14 1.858973587e+04 1.058072139e+04 1.635799489e+04 1.859000063e+04 1.859032953e+04 3.960826092e+03 1.086724616e+04 1.702105185e+04 5.781167748e+03 1.060617150e+04 1.16 1.719494579e+04 9.601329097e+03 1.507830182e+04 1.719519790e+04 1.719548153e+04 3.330903077e+03 9.871861284e+03 1.570765220e+04 5.052448716e+03 9.624903943e+03 1.18 1.589456651e+04 8.688079424e+03 1.388521915e+04 1.589481795e+04 1.589504887e+04 2.744263596e+03 8.943985861e+03 1.448305265e+04 4.373472506e+03 8.710238567e+03 1.20 1.468067683e+04 7.835504172e+03 1.277176002e+04 1.468093258e+04 1.468112283e+04 2.197469005e+03 8.078071945e+03 1.333985066e+04 3.740215422e+03 7.856690430e+03 1.22 1.354617921e+04 7.038685202e+03 1.173130307e+04 1.354640909e+04 1.354655997e+04 1.698541204e+03 7.269067265e+03 1.227139399e+04 3.148879148e+03 7.059302887e+03 1.24 1.248468028e+04 6.293188080e+03 1.075790463e+04 1.248484416e+04 1.248495353e+04 1.306492493e+03 6.512431108e+03 1.127167789e+04 2.596051615e+03 6.313573888e+03 1.26 1.149040702e+04 5.594999815e+03 9.846218047e+03 1.149047989e+04 1.149054626e+04 1.006749840e+03 5.804053855e+03 1.033527770e+04 2.078660806e+03 5.615411571e+03 1.28 1.055813850e+04 4.940470215e+03 8.991424133e+03 1.055811984e+04 1.055814406e+04 7.772858570e+02 5.140195857e+03 9.457299742e+03 1.612897511e+03 4.961109506e+03 1.30 9.683132150e+03 4.326282365e+03 8.189155699e+03 9.683046924e+03 9.683035278e+03 6.014068721e+02 4.517451196e+03 8.633319595e+03 1.248806212e+03 4.347318286e+03 1.32 8.861076608e+03 3.749429311e+03 7.435437815e+03 8.860965486e+03 8.860930444e+03 4.664377748e+02 3.932846101e+03 7.859260738e+03 9.675165901e+02 3.771000894e+03 1.34 8.088054147e+03 3.207179159e+03 6.726659859e+03 8.087958133e+03 8.087914903e+03 3.627420337e+02 3.383565380e+03 7.131415021e+03 7.500105320e+02 3.229387425e+03 1.36 7.360557643e+03 2.697037515e+03 6.059545223e+03 7.360503836e+03 7.360466543e+03 2.829805636e+02 2.866943187e+03 6.446447359e+03 5.817000304e+02 2.720058764e+03 1.38 6.675389764e+03 2.216720214e+03 5.431117500e+03 6.675389829e+03 6.675370223e+03 2.215529192e+02 2.380570853e+03 5.801322995e+03 4.513750130e+02 2.240813751e+03 1.40 6.029506512e+03 1.767359149e+03 4.838664005e+03 6.029559067e+03 6.029565910e+03 1.741785878e+02 1.922263256e+03 5.193193008e+03 3.504042657e+02 1.791824744e+03 1.42 5.420133504e+03 1.395451505e+03 4.279707199e+03 5.420229366e+03 5.420267715e+03 1.375810492e+02 1.521743322e+03 4.619459315e+03 2.721333551e+02 1.418412064e+03 1.44 4.844738334e+03 1.101437131e+03 3.751971565e+03 4.844865533e+03 4.844935430e+03 1.092496962e+02 1.204702595e+03 4.077750793e+03 2.114271505e+02 1.123219650e+03 1.46 4.301006831e+03 8.688678014e+02 3.253359752e+03 4.301149543e+03 4.301244265e+03 8.725802863e+01 9.536433909e+02 3.565896457e+03 1.643180635e+02 8.896888611e+02 1.48 3.786820491e+03 6.848227289e+02 2.781939634e+03 3.786958013e+03 3.787064844e+03 7.012869018e+01 7.547188160e+02 3.081900981e+03 1.277388690e+02 7.048199644e+02 1.50 3.300229648e+03 5.391339688e+02 2.335926811e+03 3.300341994e+03 3.300446044e+03 5.673026344e+01 5.970332954e+02 2.623925547e+03 9.931864328e+01 5.583859831e+02 1.52 2.839437959e+03 4.237917987e+02 1.913668655e+03 2.839510863e+03 2.839598764e+03 4.619465806e+01 4.719983020e+02 2.190273981e+03 7.722299004e+01 4.423317086e+02 1.54 2.402790506e+03 3.324785984e+02 1.540892343e+03 2.402816772e+03 2.402879502e+03 3.785590180e+01 3.728749448e+02 1.781872004e+03 6.002982820e+01 3.503078171e+02 1.56 1.988758555e+03 2.602160837e+02 1.240373101e+03 1.988738941e+03 1.988773160e+03 3.120443251e+01 2.943175075e+02 1.437611620e+03 4.665536452e+01 2.773041330e+02 1.58 1.612858281e+03 2.031384070e+02 9.980361048e+02 1.612809909e+03 1.612820162e+03 2.585159397e+01 2.320516577e+02 1.159553056e+03 3.627268964e+01 2.193634952e+02 1.60 1.306564158e+03 1.580947357e+02 8.025332616e+02 1.306507448e+03 1.306502568e+03 2.150183863e+01 1.826943295e+02 9.348403103e+02 2.819675672e+01 1.733598138e+02 1.62 1.058071014e+03 1.225722171e+02 6.447670837e+02 1.058021537e+03 1.058008628e+03 1.793106773e+01 1.435664998e+02 7.531599969e+02 2.189688961e+01 1.368226381e+02 1.64 8.563731955e+02 9.458203050e+01 5.174321141e+02 8.563401697e+02 8.563239554e+02 1.496865206e+01 1.125459430e+02 6.062266428e+02 1.696355813e+01 1.077961307e+02 1.66 6.925998880e+02 7.254818218e+01 4.146829063e+02 6.925852591e+02 6.925683574e+02 1.248273848e+01 8.795118192e+01 4.873728691e+02 1.308110952e+01 8.472953685e+01 1.68 5.595894964e+02 5.522083705e+01 3.318438231e+02 5.595895415e+02 5.595731459e+02 1.037086531e+01 6.845037361e+01 3.912261718e+02 1.000700883e+01 6.639265038e+01 1.70 4.515499504e+02 4.160983991e+01 2.650658780e+02 4.515590437e+02 4.515436865e+02 8.554756919e+00 5.298877993e+01 3.134519103e+02 7.554648030e+00 5.180934453e+01 1.72 3.637912409e+02 3.098725179e+01 2.112473674e+02 3.638041685e+02 3.637902072e+02 6.976578923e+00 4.073124442e+01 2.505501189e+02 5.580608108e+00 4.020600686e+01 1.74 2.925125286e+02 2.275345233e+01 1.678910115e+02 2.925255228e+02 2.925135938e+02 5.594106498e+00 3.101625460e+01 1.996927954e+02 3.975820232e+00 3.096926473e+01 1.76 2.346305422e+02 1.638459362e+01 1.329828076e+02 2.346419838e+02 2.346333395e+02 4.375661333e+00 2.331911701e+01 1.585938022e+02 2.657928542e+00 2.361238364e+01 1.78 1.876426273e+02 1.146984957e+01 1.048956698e+02 1.876528894e+02 1.876491397e+02 3.296663087e+00 1.722325857e+01 1.254040686e+02 1.564650502e+00 1.774957261e+01 1.80 1.495171572e+02 7.687135331e+00 8.231422529e+01 1.495275866e+02 1.495300440e+02 2.338002030e+00 1.240128433e+01 9.862633709e+01 6.491053788e-01 1.307541411e+01 1.82 1.186048994e+02 4.783299463e+00 6.417555962e+01 1.186164498e+02 1.186255592e+02 1.485143208e+00 8.611688364e+00 7.704739163e+01 -1.237172738e-01 9.347905757e+00 1.84 9.356654424e+01 2.558973235e+00 4.962099286e+01 9.357895234e+01 9.359402398e+01 7.268818198e-01 5.640460317e+00 5.968287521e+01 -7.803578160e-01 6.374676214e+00 1.86 7.331141416e+01 8.578781288e-01 3.795700379e+01 7.332390322e+01 7.334352195e+01 5.409385406e-02 3.313042467e+00 4.577628088e+01 -1.341417513e+00 4.002893894e+00 1.88 5.694984173e+01 -4.417237406e-01 2.862401235e+01 5.696207810e+01 5.698482301e+01 -5.409290583e-01 1.491363515e+00 3.473009761e+01 -1.822819679e+00 2.111185023e+00 1.90 4.375618407e+01 -1.433992586e+00 2.117015157e+01 4.376843610e+01 4.379321977e+01 -1.064651659e+00 6.632406509e-02 2.597941814e+01 -2.236848213e+00 6.028414330e-01 1.92 3.322342394e+01 -2.180566013e+00 1.528698056e+01 3.323663549e+01 3.326267235e+01 -1.494060131e+00 -1.019526099e+00 1.909463586e+01 -2.571915009e+00 -5.572826087e-01 1.94 2.491096887e+01 -2.731286423e+00 1.070790330e+01 2.492655350e+01 2.495318201e+01 -1.819647572e+00 -1.819184503e+00 1.372060274e+01 -2.825176766e+00 -1.410448732e+00 1.96 1.837239048e+01 -3.134934951e+00 7.158641611e+00 1.839121938e+01 1.841753495e+01 -2.063866292e+00 -2.403259522e+00 9.542235492e+00 -3.015926806e+00 -2.032724305e+00 1.98 1.324746839e+01 -3.429120870e+00 4.418913656e+00 1.326911589e+01 1.329382549e+01 -2.246698676e+00 -2.827043145e+00 6.306705306e+00 -3.158710165e+00 -2.482724788e+00 2.00 9.246276506e+00 -3.642808659e+00 2.312625255e+00 9.268942087e+00 9.290492276e+00 -2.387036848e+00 -3.133126220e+00 3.811827624e+00 -3.264234591e+00 -2.805221000e+00 2.02 6.135217246e+00 -3.798279965e+00 6.993029871e-01 6.156403791e+00 6.173345926e+00 -2.493122533e+00 -3.353826878e+00 1.896081376e+00 -3.340407976e+00 -3.035085766e+00 2.04 3.725988253e+00 -3.912530272e+00 -5.326295692e-01 3.743436470e+00 3.754861138e+00 -2.568222462e+00 -3.513322610e+00 4.307312405e-01 -3.393333436e+00 -3.199657655e+00 2.06 1.867435383e+00 -3.998149110e+00 -1.470819602e+00 1.879535580e+00 1.885125439e+00 -2.623027781e+00 -3.629275261e+00 -6.862593592e-01 -3.429707448e+00 -3.319673974e+00 2.08 4.386258799e-01 -4.064125940e+00 -2.183405461e+00 4.445051380e-01 4.443925092e-01 -2.667645215e+00 -3.714310222e+00 -1.535649086e+00 -3.456530936e+00 -3.410305977e+00 2.10 -6.568337437e-01 -4.116617518e+00 -2.722831432e+00 -6.574254757e-01 -6.627703111e-01 -2.706876473e+00 -3.777190007e+00 -2.181108997e+00 -3.471637975e+00 -3.482119358e+00 2.12 -1.495386416e+00 -4.159406153e+00 -3.129418250e+00 -1.502219247e+00 -1.512081868e+00 -2.741805224e+00 -3.823952551e+00 -2.672331854e+00 -3.472126956e+00 -3.541951598e+00 2.14 -2.137200423e+00 -4.194803109e+00 -3.434503008e+00 -2.149592934e+00 -2.163102546e+00 -2.771991094e+00 -3.859022403e+00 -3.047522639e+00 -3.464122032e+00 -3.593731990e+00 2.16 -2.628984421e+00 -4.224071621e+00 -3.662583314e+00 -2.645907239e+00 -2.662176994e+00 -2.797258149e+00 -3.885585150e+00 -3.335459736e+00 -3.453716303e+00 -3.639022486e+00 2.18 -3.006629591e+00 -4.247484586e+00 -3.832621241e+00 -3.026838759e+00 -3.045082311e+00 -2.817717312e+00 -3.905779166e+00 -3.557688067e+00 -3.443188350e+00 -3.677788030e+00 2.20 -3.298021115e+00 -4.264780304e+00 -3.959218507e+00 -3.320062964e+00 -3.339512164e+00 -2.833671116e+00 -3.920836477e+00 -3.730543949e+00 -3.432025097e+00 -3.709758515e+00 2.22 -3.524533749e+00 -4.275506420e+00 -4.053545049e+00 -3.546869423e+00 -3.566726005e+00 -2.845540166e+00 -3.931383587e+00 -3.866349767e+00 -3.418662767e+00 -3.734717009e+00 2.24 -3.702146960e+00 -4.279552174e+00 -4.124036078e+00 -3.723414147e+00 -3.742863373e+00 -2.853731335e+00 -3.937719435e+00 -3.974249221e+00 -3.402057552e+00 -3.752581384e+00 2.26 -3.842596008e+00 -4.279471231e+00 -4.176916130e+00 -3.861797644e+00 -3.880035031e+00 -2.858608825e+00 -3.940685646e+00 -4.061103397e+00 -3.381816290e+00 -3.764895784e+00 2.28 -3.954678135e+00 -4.276984195e+00 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