# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Shim-J-H-Ko-W-S-Kim-K-H-et-al--V-Ni # implementation = 2013--Shim-J-H--V-Ni--LAMMPS--ipr1 # composition = Ni3V # 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 4.139283775e+02 nan nan 0.92 3.837093785e+02 nan nan 0.94 3.555597613e+02 nan nan 0.96 3.293427693e+02 nan nan 0.98 3.049304877e+02 4.115744285e+02 nan 1.00 2.822032764e+02 3.836005704e+02 nan 1.02 2.610492411e+02 3.574087255e+02 3.947219931e+02 1.04 2.413637372e+02 3.328894054e+02 3.686913872e+02 1.06 2.230489066e+02 3.099396945e+02 3.442617207e+02 1.08 2.060132437e+02 2.884628609e+02 3.213385053e+02 1.10 1.901711893e+02 2.683679887e+02 2.998326614e+02 1.12 1.754427501e+02 2.495696335e+02 2.796602171e+02 1.14 1.617531437e+02 2.319874981e+02 2.607420224e+02 1.16 1.490324644e+02 2.155461270e+02 2.430034798e+02 1.18 1.372153716e+02 2.001746196e+02 2.263742884e+02 1.20 1.262407978e+02 1.858063600e+02 2.107882040e+02 1.22 1.160516746e+02 1.723787628e+02 1.961828101e+02 1.24 1.065946766e+02 1.598330340e+02 1.824993031e+02 1.26 9.781998127e+01 1.481139458e+02 1.696822889e+02 1.28 8.968104412e+01 1.371696248e+02 1.576795901e+02 1.30 8.213438816e+01 1.269513529e+02 1.464420646e+02 1.32 7.513940661e+01 1.174133791e+02 1.359234339e+02 1.34 6.865817807e+01 1.085127431e+02 1.260801205e+02 1.36 6.265529355e+01 1.002091093e+02 1.168710953e+02 1.38 5.709769425e+01 9.246460992e+01 1.082577321e+02 1.40 5.195451977e+01 8.524369764e+01 1.002036714e+02 1.42 4.719696592e+01 7.851300728e+01 9.267469105e+01 1.44 4.279815147e+01 7.224122493e+01 8.563858403e+01 1.46 3.873299345e+01 6.639896526e+01 7.906504369e+01 1.48 3.497809026e+01 6.095865583e+01 7.292555473e+01 1.50 3.151161236e+01 5.589442818e+01 6.719329048e+01 1.52 2.831319974e+01 5.118201548e+01 6.184301602e+01 1.54 2.536386608e+01 4.679865609e+01 5.685099662e+01 1.56 2.264590885e+01 4.272300273e+01 5.219491124e+01 1.58 2.014282533e+01 3.893503728e+01 4.785377110e+01 1.60 1.783923385e+01 3.541599026e+01 4.380784257e+01 1.62 1.572080012e+01 3.214826529e+01 4.003857456e+01 1.64 1.377416829e+01 2.911536802e+01 3.652853002e+01 1.66 1.198689641e+01 2.630183911e+01 3.326132110e+01 1.68 1.034739602e+01 2.369319134e+01 3.022154822e+01 1.70 8.844875682e+00 2.127585038e+01 2.739474250e+01 1.72 7.469288092e+00 1.903709906e+01 2.476731130e+01 1.74 6.211280607e+00 1.696502502e+01 2.232648710e+01 1.76 5.062149005e+00 1.504847141e+01 2.006027915e+01 1.78 4.013794191e+00 1.327699057e+01 1.795742778e+01 1.80 3.058681749e+00 1.164080046e+01 1.600736159e+01 1.82 2.189804085e+00 1.013074372e+01 1.420015676e+01 1.84 1.400645052e+00 8.738249100e+00 1.252649891e+01 1.86 6.851468768e-01 7.455295350e+00 1.097764707e+01 1.88 3.767923058e-02 6.274377113e+00 9.545399707e+00 1.90 -5.469896597e-01 5.188472992e+00 8.222062691e+00 1.92 -1.073720025e+00 4.191015487e+00 7.000419181e+00 1.94 -1.547025785e+00 3.275862733e+00 5.873701124e+00 1.96 -1.971098128e+00 2.437272001e+00 4.835562526e+00 1.98 -2.349827532e+00 1.669874746e+00 3.880054174e+00 2.00 -2.686824342e+00 9.686531797e-01 3.001599848e+00 2.02 -2.985437971e+00 3.289183072e-01 2.194973959e+00 2.04 -3.248774854e+00 -2.537107635e-01 1.455280406e+00 2.06 -3.479715185e+00 -7.833262102e-01 7.779327196e-01 2.08 -3.680928556e+00 -1.263749703e+00 1.586353635e-01 2.10 -3.854888554e+00 -1.698549530e+00 -4.066339186e-01 2.12 -4.003886374e+00 -2.091056637e+00 -9.216406684e-01 2.14 -4.130043528e+00 -2.444379700e+00 -1.389909334e+00 2.16 -4.235323705e+00 -2.761419285e+00 -1.814737991e+00 2.18 -4.321543823e+00 -3.044881105e+00 -2.199212150e+00 2.20 -4.390384347e+00 -3.297288487e+00 -2.546217798e+00 2.22 -4.443398903e+00 -3.520994065e+00 -2.858453651e+00 2.24 -4.482023247e+00 -3.718190725e+00 -3.138442664e+00 2.26 -4.507583626e+00 -3.890921911e+00 -3.388542895e+00 2.28 -4.521304561e+00 -4.041091259e+00 -3.610957699e+00 2.30 -4.524316112e+00 -4.170471639e+00 -3.807745313e+00 2.32 -4.517660642e+00 -4.280713648e+00 -3.980827894e+00 2.34 -4.502299115e+00 -4.373353554e+00 -4.131999991e+00 2.36 -4.479116964e+00 -4.449820746e+00 -4.262936517e+00 2.38 -4.448929557e+00 -4.511444734e+00 -4.375200262e+00 2.40 -4.412487283e+00 -4.559461680e+00 -4.470248919e+00 2.42 -4.370480288e+00 -4.595020543e+00 -4.549441721e+00 2.44 -4.323542883e+00 -4.619188828e+00 -4.614045659e+00 2.46 -4.272257640e+00 -4.632957962e+00 -4.665241323e+00 2.48 -4.217159215e+00 -4.637248343e+00 -4.704128399e+00 2.50 -4.158737886e+00 -4.632914065e+00 -4.731730829e+00 2.52 -4.097442861e+00 -4.620747333e+00 -4.749001644e+00 2.54 -4.033685338e+00 -4.601482610e+00 -4.756827527e+00 2.56 -3.967841361e+00 -4.575800491e+00 -4.756033070e+00 2.58 -3.900254468e+00 -4.544331326e+00 -4.747384788e+00 2.60 -3.831238151e+00 -4.507658621e+00 -4.731594883e+00 2.62 -3.761078143e+00 -4.466322209e+00 -4.709324770e+00 2.64 -3.690034540e+00 -4.420821224e+00 -4.681188389e+00 2.66 -3.618343774e+00 -4.371616879e+00 -4.647755315e+00 2.68 -3.546220442e+00 -4.319135061e+00 -4.609553669e+00 2.70 -3.473859003e+00 -4.263768769e+00 -4.567072854e+00 2.72 -3.401435349e+00 -4.205880377e+00 -4.520766114e+00 2.74 -3.329108274e+00 -4.145803763e+00 -4.471052939e+00 2.76 -3.257020820e+00 -4.083846289e+00 -4.418321313e+00 2.78 -3.185301536e+00 -4.020290660e+00 -4.362929827e+00 2.80 -3.114065641e+00 -3.955396650e+00 -4.305209654e+00 2.82 -3.043416098e+00 -3.889402723e+00 -4.245466401e+00 2.84 -2.973444618e+00 -3.822527543e+00 -4.183981843e+00 2.86 -2.904232578e+00 -3.754971382e+00 -4.121015549e+00 2.88 -2.835851876e+00 -3.686917441e+00 -4.056806397e+00 2.90 -2.768365728e+00 -3.618533073e+00 -3.991574005e+00 2.92 -2.701829390e+00 -3.549970930e+00 -3.925520053e+00 2.94 -2.636290843e+00 -3.481370037e+00 -3.858829540e+00 2.96 -2.571791411e+00 -3.412856783e+00 -3.791671940e+00 2.98 -2.508366343e+00 -3.344545852e+00 -3.724202295e+00 3.00 -2.446045342e+00 -3.276541094e+00 -3.656562239e+00 3.02 -2.384853061e+00 -3.208936326e+00 -3.588880942e+00 3.04 -2.324809553e+00 -3.141816088e+00 -3.521276007e+00 3.06 -2.265930692e+00 -3.075256344e+00 -3.453854298e+00 3.08 -2.208228558e+00 -3.009325135e+00 -3.386712720e+00 3.10 -2.151711793e+00 -2.944083182e+00 -3.319938942e+00 3.12 -2.096385924e+00 -2.879584459e+00 -3.253612074e+00 3.14 -2.042253673e+00 -2.815876712e+00 -3.187803303e+00 3.16 -1.989315224e+00 -2.753001954e+00 -3.122576479e+00 3.18 -1.937568484e+00 -2.690996915e+00 -3.057988665e+00 3.20 -1.887009313e+00 -2.629893468e+00 -2.994090653e+00 3.22 -1.837631742e+00 -2.569719024e+00 -2.930927443e+00 3.24 -1.789428166e+00 -2.510496891e+00 -2.868538684e+00 3.26 -1.742389529e+00 -2.452246619e+00 -2.806959092e+00 3.28 -1.696505481e+00 -2.394984312e+00 -2.746218838e+00 3.30 -1.651764539e+00 -2.338722918e+00 -2.686343908e+00 3.32 -1.608154218e+00 -2.283472506e+00 -2.627356436e+00 3.34 -1.565661157e+00 -2.229240509e+00 -2.569275016e+00 3.36 -1.524271237e+00 -2.176031966e+00 -2.512114995e+00 3.38 -1.483969685e+00 -2.123849728e+00 -2.455888740e+00 3.40 -1.444741164e+00 -2.072694664e+00 -2.400605890e+00 3.42 -1.406569866e+00 -2.022565843e+00 -2.346273585e+00 3.44 -1.369439583e+00 -1.973460707e+00 -2.292896689e+00 3.46 -1.333333785e+00 -1.925375225e+00 -2.240477983e+00 3.48 -1.298235675e+00 -1.878304042e+00 -2.189018456e+00 3.50 -1.264128252e+00 -1.832240613e+00 -2.138519690e+00 3.52 -1.230994359e+00 -1.787177327e+00 -2.088984992e+00 3.54 -1.198816730e+00 -1.743105621e+00 -2.040399969e+00 3.56 -1.167578031e+00 -1.700016086e+00 -1.992753042e+00 3.58 -1.137260890e+00 -1.657898564e+00 -1.946046855e+00 3.60 -1.107847936e+00 -1.616742236e+00 -1.900274142e+00 3.62 -1.079321821e+00 -1.576535707e+00 -1.855426715e+00 3.64 -1.051665243e+00 -1.537267077e+00 -1.811495560e+00 3.66 -1.024860970e+00 -1.498924015e+00 -1.768470933e+00 3.68 -9.988918512e-01 -1.461493817e+00 -1.726342441e+00 3.70 -9.737408326e-01 -1.424963469e+00 -1.685099126e+00 3.72 -9.493909677e-01 -1.389319693e+00 -1.644729531e+00 3.74 -9.258254239e-01 -1.354549003e+00 -1.605221771e+00 3.76 -9.030274884e-01 -1.320637741e+00 -1.566563589e+00 3.78 -8.809805700e-01 -1.287572123e+00 -1.528742420e+00 3.80 -8.596681999e-01 -1.255338271e+00 -1.491745432e+00 3.82 -8.390740292e-01 -1.223922245e+00 -1.455559583e+00 3.84 -8.191818255e-01 -1.193310075e+00 -1.420171656e+00 3.86 -7.999754663e-01 -1.163487785e+00 -1.385568303e+00 3.88 -7.814389313e-01 -1.134441417e+00 -1.351736081e+00 3.90 -7.635562932e-01 -1.106157053e+00 -1.318661480e+00 3.92 -7.463117055e-01 -1.078620828e+00 -1.286330959e+00 3.94 -7.296893902e-01 -1.051818953e+00 -1.254730967e+00 3.96 -7.136736232e-01 -1.025737723e+00 -1.223847973e+00 3.98 -6.982487184e-01 -1.000363534e+00 -1.193668484e+00 4.00 -6.833990106e-01 -9.756828860e-01 -1.164179066e+00 4.02 -6.707808695e-01 -9.516823984e-01 -1.135366362e+00 4.04 -6.858205913e-01 -9.283488116e-01 -1.107217110e+00 4.06 -7.808256371e-01 -9.056689936e-01 -1.079718155e+00 4.08 -7.325808950e-01 -8.836299429e-01 -1.052856461e+00 4.10 -7.129557434e-01 -8.622187910e-01 -1.026619126e+00 4.12 -6.966848384e-01 -8.414228024e-01 -1.000993390e+00 4.14 -6.807864983e-01 -8.212293741e-01 -9.759666413e-01 4.16 -6.652529230e-01 -8.016260338e-01 -9.515264298e-01 4.18 -6.500763998e-01 -7.826004365e-01 -9.276604687e-01 4.20 -6.352493122e-01 -7.641403601e-01 -9.043566430e-01 4.22 -6.207641468e-01 -7.462337005e-01 -8.816030129e-01 4.24 -6.066134988e-01 -7.288684647e-01 -8.593878191e-01 4.26 -5.927900761e-01 -7.122274865e-01 -8.376994850e-01 4.28 -5.792867023e-01 -7.003441543e-01 -8.165266203e-01 4.30 -5.660963196e-01 -7.040792404e-01 -7.958580226e-01 4.32 -5.532119897e-01 -7.245541885e-01 -7.756826790e-01 4.34 -5.406268957e-01 -7.206459727e-01 -7.559897674e-01 4.36 -5.283343421e-01 -7.073264565e-01 -7.367686568e-01 4.38 -5.163277559e-01 -6.943696922e-01 -7.180089075e-01 4.40 -5.045525223e-01 -6.817593833e-01 -6.997002713e-01 4.42 -4.921022602e-01 -6.694790561e-01 -6.818326904e-01 4.44 -4.732597801e-01 -6.575120955e-01 -6.643962973e-01 4.46 -3.416207006e-01 -6.458417921e-01 -6.473814129e-01 4.48 -2.020665827e-01 -6.344513970e-01 -6.307785458e-01 4.50 -1.976623917e-01 -6.233241885e-01 -6.145783907e-01 4.52 -1.933523377e-01 -6.124435470e-01 -5.987718263e-01 4.54 -1.891344161e-01 -6.017930411e-01 -5.833499139e-01 4.56 -1.850066678e-01 -5.913565218e-01 -5.683038949e-01 4.58 -1.809671775e-01 -5.811182240e-01 -5.536251890e-01 4.60 -1.770140733e-01 -5.710628753e-01 -5.393053919e-01 4.62 -1.731455248e-01 -5.611758076e-01 -5.253362726e-01 4.64 -1.693597424e-01 -5.514430713e-01 -5.117097712e-01 4.66 -1.656549762e-01 -5.418515478e-01 -4.984179965e-01 4.68 -1.620295150e-01 -5.323890576e-01 -4.854532232e-01 4.70 -1.584816850e-01 -5.230444607e-01 -4.728078893e-01 4.72 -1.550098495e-01 -5.138077460e-01 -4.604745935e-01 4.74 -1.516124072e-01 -5.046701062e-01 -4.484460926e-01 4.76 -1.482877918e-01 -4.956239949e-01 -4.367152986e-01 4.78 -1.450344708e-01 -4.866631639e-01 -4.252752761e-01 4.80 -1.418509451e-01 -4.777826779e-01 -4.141192395e-01 4.82 -1.387357477e-01 -4.689789060e-01 -4.032405507e-01 4.84 -1.356874431e-01 -4.602494888e-01 -3.926327155e-01 4.86 -1.327046264e-01 -4.515932819e-01 -3.822893817e-01 4.88 -1.297859231e-01 -4.430102773e-01 -3.722043362e-01 4.90 -1.269299875e-01 -4.345015038e-01 -3.623715022e-01 4.92 -1.238759297e-01 -4.255052777e-01 -3.525804522e-01 4.94 -1.173404693e-01 -4.086825667e-01 -3.400269133e-01 4.96 -9.862920304e-02 -3.607694353e-01 -3.115984998e-01 4.98 -5.532991143e-02 -2.264541317e-01 -2.131623523e-01 5.00 -8.304619273e-23 -2.959344345e-22 -3.105605536e-22 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00