# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2010--Kim-H-K-Jung-W-S-Lee-B-J--Nb-C # implementation = 2010--Kim-H-K--Nb-C--LAMMPS--ipr1 # composition = CNb3 # 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 5.314137984e+02 nan nan 0.88 4.993662369e+02 nan nan 0.90 4.690693043e+02 nan nan 0.92 4.404364117e+02 4.178860329e+02 nan 0.94 4.133845473e+02 3.952392241e+02 nan 0.96 3.878341990e+02 3.736859098e+02 5.228777113e+02 0.98 3.637092684e+02 3.531791577e+02 4.939026946e+02 1.00 3.409369819e+02 3.336736380e+02 4.664143735e+02 1.02 3.194477954e+02 3.151256059e+02 4.403403984e+02 1.04 2.991752978e+02 2.974928802e+02 4.156117347e+02 1.06 2.800561110e+02 2.807348176e+02 3.921625243e+02 1.08 2.620297892e+02 2.648122849e+02 3.699299538e+02 1.10 2.450387173e+02 2.496876285e+02 3.488541255e+02 1.12 2.290280085e+02 2.353246414e+02 3.288779340e+02 1.14 2.139454035e+02 2.216885294e+02 3.099469468e+02 1.16 1.997411694e+02 2.087458748e+02 2.920092890e+02 1.18 1.863680001e+02 1.964645999e+02 2.750155328e+02 1.20 1.737809188e+02 1.848139295e+02 2.589185903e+02 1.22 1.619371815e+02 1.737643525e+02 2.436736108e+02 1.24 1.507961833e+02 1.632875837e+02 2.292378820e+02 1.26 1.403193661e+02 1.533565252e+02 2.155707349e+02 1.28 1.304701295e+02 1.439452274e+02 2.026334524e+02 1.30 1.212137438e+02 1.350288512e+02 1.903891813e+02 1.32 1.125172656e+02 1.265836295e+02 1.788028481e+02 1.34 1.043494564e+02 1.185868298e+02 1.678410781e+02 1.36 9.668070353e+01 1.110167168e+02 1.574721175e+02 1.38 8.948294388e+01 1.038525158e+02 1.476657594e+02 1.40 8.272959078e+01 9.707437720e+01 1.383932720e+02 1.42 7.639546315e+01 9.066334116e+01 1.296273301e+02 1.44 7.045671760e+01 8.460130317e+01 1.213419501e+02 1.46 6.489078323e+01 7.887098063e+01 1.135124269e+02 1.48 5.967629898e+01 7.345588024e+01 1.061152737e+02 1.50 5.479305369e+01 6.834026617e+01 9.912816520e+01 1.52 5.022192860e+01 6.350912922e+01 9.252988191e+01 1.54 4.594484241e+01 5.894815693e+01 8.630025814e+01 1.56 4.194469874e+01 5.464370450e+01 8.042013162e+01 1.58 3.820533589e+01 5.058276676e+01 7.487129555e+01 1.60 3.471147893e+01 4.675295101e+01 6.963645278e+01 1.62 3.144869395e+01 4.314245074e+01 6.469917211e+01 1.64 2.840334448e+01 3.974002040e+01 6.004384647e+01 1.66 2.556254991e+01 3.653495087e+01 5.565565310e+01 1.68 2.291414593e+01 3.351704604e+01 5.152051548e+01 1.70 2.044664684e+01 3.067660005e+01 4.762506709e+01 1.72 1.814920969e+01 2.800437560e+01 4.395661682e+01 1.74 1.601160019e+01 2.549158287e+01 4.050311590e+01 1.76 1.402416030e+01 2.312985947e+01 3.725312655e+01 1.78 1.217777741e+01 2.091125102e+01 3.419579195e+01 1.80 1.046385505e+01 1.882819263e+01 3.132080767e+01 1.82 8.874285128e+00 1.687349105e+01 2.861839448e+01 1.84 7.401421528e+00 1.504030758e+01 2.607927245e+01 1.86 6.038055070e+00 1.332214169e+01 2.369463618e+01 1.88 4.777389752e+00 1.171281534e+01 2.145613139e+01 1.90 3.613020215e+00 1.020645794e+01 1.935583245e+01 1.92 2.538910374e+00 8.797491969e+00 1.738622112e+01 1.94 1.549373168e+00 7.480619186e+00 1.554016624e+01 1.96 6.390513566e-01 6.250807476e+00 1.381090446e+01 1.98 -1.971006651e-01 5.103278244e+00 1.219202182e+01 2.00 -9.638340997e-01 4.033494374e+00 1.067743630e+01 2.02 -1.665622067e+00 3.037148719e+00 9.261381196e+00 2.04 -2.306675055e+00 2.110153104e+00 7.938389269e+00 2.06 -2.890955556e+00 1.248627819e+00 6.703277734e+00 2.08 -3.422191905e+00 4.488915910e-01 5.551133928e+00 2.10 -3.903891394e+00 -2.925479965e-01 4.477301703e+00 2.12 -4.339352668e+00 -9.790036413e-01 3.477368488e+00 2.14 -4.731677455e+00 -1.613617047e+00 2.547152980e+00 2.16 -5.083781668e+00 -2.199367244e+00 1.682693449e+00 2.18 -5.398405895e+00 -2.739078529e+00 8.802366116e-01 2.20 -5.678125324e+00 -3.235428033e+00 1.362270629e-01 2.22 -5.925359127e+00 -3.690952943e+00 -5.527027747e-01 2.24 -6.142379328e+00 -4.108057377e+00 -1.189742202e+00 2.26 -6.331319187e+00 -4.489018950e+00 -1.777911318e+00 2.28 -6.494181124e+00 -4.835995016e+00 -2.320069650e+00 2.30 -6.632844205e+00 -5.151028628e+00 -2.818924346e+00 2.32 -6.749071212e+00 -5.436054213e+00 -3.277037965e+00 2.34 -6.844515333e+00 -5.692902968e+00 -3.696835878e+00 2.36 -6.920726464e+00 -5.923308014e+00 -4.080613295e+00 2.38 -6.979157179e+00 -6.128909291e+00 -4.430541948e+00 2.40 -7.021168351e+00 -6.311258227e+00 -4.748676431e+00 2.42 -7.048034472e+00 -6.471822179e+00 -5.036960233e+00 2.44 -7.060948667e+00 -6.611988656e+00 -5.297231454e+00 2.46 -7.061027434e+00 -6.733069348e+00 -5.531228250e+00 2.48 -7.049315110e+00 -6.836303952e+00 -5.740593992e+00 2.50 -7.026788091e+00 -6.922863810e+00 -5.926882172e+00 2.52 -6.994358812e+00 -6.993855382e+00 -6.091561056e+00 2.54 -6.952879502e+00 -7.050323535e+00 -6.236018112e+00 2.56 -6.903145725e+00 -7.093254679e+00 -6.361564206e+00 2.58 -6.845899723e+00 -7.123579750e+00 -6.469437585e+00 2.60 -6.781833565e+00 -7.142177040e+00 -6.560807670e+00 2.62 -6.711592114e+00 -7.149874894e+00 -6.636778643e+00 2.64 -6.635775835e+00 -7.147454270e+00 -6.698392860e+00 2.66 -6.554943426e+00 -7.135651171e+00 -6.746634093e+00 2.68 -6.469614312e+00 -7.115158961e+00 -6.782430597e+00 2.70 -6.380270985e+00 -7.086630558e+00 -6.806658035e+00 2.72 -6.287361216e+00 -7.050680525e+00 -6.820142244e+00 2.74 -6.191300132e+00 -7.007887051e+00 -6.823661862e+00 2.76 -6.092472178e+00 -6.958793819e+00 -6.817950825e+00 2.78 -5.991232966e+00 -6.903895720e+00 -6.803700733e+00 2.80 -5.887911004e+00 -6.843568617e+00 -6.781563095e+00 2.82 -5.782809345e+00 -6.778356884e+00 -6.752151463e+00 2.84 -5.676207121e+00 -6.708879437e+00 -6.716043451e+00 2.86 -5.568360997e+00 -6.635363012e+00 -6.673782656e+00 2.88 -5.459506544e+00 -6.558178855e+00 -6.625880479e+00 2.90 -5.349859523e+00 -6.477674480e+00 -6.572817846e+00 2.92 -5.239617105e+00 -6.394174916e+00 -6.515046854e+00 2.94 -5.128959021e+00 -6.307983872e+00 -6.452992318e+00 2.96 -5.018048643e+00 -6.219384856e+00 -6.387053247e+00 2.98 -4.907034018e+00 -6.128642231e+00 -6.317604243e+00 3.00 -4.796048837e+00 -6.036002217e+00 -6.244996825e+00 3.02 -4.685213369e+00 -5.941693844e+00 -6.169560683e+00 3.04 -4.574635342e+00 -5.845929849e+00 -6.091604875e+00 3.06 -4.464410796e+00 -5.748907540e+00 -6.011418952e+00 3.08 -4.354624906e+00 -5.650809608e+00 -5.929274033e+00 3.10 -4.245352776e+00 -5.551804905e+00 -5.845423818e+00 3.12 -4.136660222e+00 -5.452049181e+00 -5.760105550e+00 3.14 -4.028604550e+00 -5.351685797e+00 -5.673540931e+00 3.16 -3.921235324e+00 -5.250846398e+00 -5.585936984e+00 3.18 -3.814595153e+00 -5.149651572e+00 -5.497486872e+00 3.20 -3.708720495e+00 -5.048211483e+00 -5.407870405e+00 3.22 -3.603642490e+00 -4.946626483e+00 -5.309439955e+00 3.24 -3.499387832e+00 -4.844987723e+00 -5.188895226e+00 3.26 -3.395979705e+00 -4.743377753e+00 -5.083030341e+00 3.28 -3.293438770e+00 -4.641871122e+00 -4.994157708e+00 3.30 -3.191784241e+00 -4.540534986e+00 -4.905351645e+00 3.32 -3.091035051e+00 -4.439429740e+00 -4.816725358e+00 3.34 -2.991211104e+00 -4.338609658e+00 -4.728383592e+00 3.36 -2.892334647e+00 -4.238123587e+00 -4.640423121e+00 3.38 -2.794431734e+00 -4.138015671e+00 -4.552933208e+00 3.40 -2.697533800e+00 -4.038326133e+00 -4.465996046e+00 3.42 -2.601679316e+00 -3.939092133e+00 -4.379687169e+00 3.44 -2.506915494e+00 -3.840348690e+00 -4.294075848e+00 3.46 -2.413300013e+00 -3.742129704e+00 -4.209225462e+00 3.48 -2.320902688e+00 -3.644469072e+00 -4.125193847e+00 3.50 -2.229807010e+00 -3.547401901e+00 -4.042033631e+00 3.52 -2.140111436e+00 -3.450965839e+00 -3.959792548e+00 3.54 -2.051930307e+00 -3.355202490e+00 -3.878513738e+00 3.56 -1.965394250e+00 -3.260158922e+00 -3.798236022e+00 3.58 -1.880649877e+00 -3.165889233e+00 -3.718994178e+00 3.60 -1.797858649e+00 -3.072456122e+00 -3.640819182e+00 3.62 -1.717194729e+00 -2.979932424e+00 -3.563738455e+00 3.64 -1.638841725e+00 -2.888402517e+00 -3.487776082e+00 3.66 -1.562988282e+00 -2.797963492e+00 -3.412953028e+00 3.68 -1.489824338e+00 -2.708725981e+00 -3.339287334e+00 3.70 -1.420620574e+00 -2.620814485e+00 -3.266794314e+00 3.72 -1.393333108e+00 -2.534367061e+00 -3.195486725e+00 3.74 -1.627384226e+00 -2.449534227e+00 -3.125374943e+00 3.76 -1.383933614e+00 -2.366476939e+00 -3.056467119e+00 3.78 -1.348871224e+00 -2.285363585e+00 -2.988769329e+00 3.80 -1.314545868e+00 -2.206365934e+00 -2.922285716e+00 3.82 -1.280956502e+00 -2.129654146e+00 -2.857018627e+00 3.84 -1.248100371e+00 -2.055390967e+00 -2.792968732e+00 3.86 -1.215973137e+00 -1.983725409e+00 -2.730135148e+00 3.88 -1.184569014e+00 -1.914786278e+00 -2.668515550e+00 3.90 -1.153880928e+00 -1.848674860e+00 -2.608106272e+00 3.92 -1.123900679e+00 -1.781224702e+00 -2.548902410e+00 3.94 -1.094619106e+00 -1.678218233e+00 -2.490897911e+00 3.96 -1.066026243e+00 -1.500429277e+00 -2.434085662e+00 3.98 -1.038111468e+00 -1.325830161e+00 -2.378457572e+00 4.00 -1.010863636e+00 -1.285596952e+00 -2.324004645e+00 4.02 -9.842712046e-01 -1.252652001e+00 -2.270717056e+00 4.04 -9.582702752e-01 -1.220580208e+00 -2.218584211e+00 4.06 -9.314723317e-01 -1.189331907e+00 -2.167594817e+00 4.08 -8.968130470e-01 -1.158867282e+00 -2.117736932e+00 4.10 -8.265483570e-01 -1.129154278e+00 -2.068998025e+00 4.12 -7.448350096e-01 -1.100166718e+00 -2.021365021e+00 4.14 -7.269626056e-01 -1.071882716e+00 -1.974824347e+00 4.16 -7.094548761e-01 -1.044283404e+00 -1.929361979e+00 4.18 -6.923073253e-01 -1.017351974e+00 -1.884963474e+00 4.20 -6.755153535e-01 -9.910729840e-01 -1.841614008e+00 4.22 -6.590742691e-01 -9.654318875e-01 -1.799298407e+00 4.24 -6.429792999e-01 -9.404147322e-01 -1.758001177e+00 4.26 -6.272256038e-01 -9.160079753e-01 -1.717706526e+00 4.28 -6.118082784e-01 -8.921983786e-01 -1.678398388e+00 4.30 -5.967223705e-01 -8.689729524e-01 -1.640060440e+00 4.32 -5.819628849e-01 -8.463189279e-01 -1.602676121e+00 4.34 -5.675247927e-01 -8.242237445e-01 -1.566228642e+00 4.36 -5.534030388e-01 -8.026750453e-01 -1.530700996e+00 4.38 -5.395925494e-01 -7.816606756e-01 -1.496075966e+00 4.40 -5.260882388e-01 -7.611686827e-01 -1.462336130e+00 4.42 -5.128850156e-01 -7.411873164e-01 -1.429463862e+00 4.44 -4.999777890e-01 -7.217050291e-01 -1.397441330e+00 4.46 -4.873614739e-01 -7.027104758e-01 -1.366250492e+00 4.48 -4.750309967e-01 -6.841925138e-01 -1.335873095e+00 4.50 -4.629812995e-01 -6.661402026e-01 -1.306290659e+00 4.52 -4.500219794e-01 -6.468654099e-01 -1.274385260e+00 4.54 -4.213106836e-01 -6.053761791e-01 -1.201054989e+00 4.56 -3.403958172e-01 -4.899891254e-01 -9.871927906e-01 4.58 -1.721459067e-01 -2.495702866e-01 -5.208540444e-01 4.60 -7.900609290e-23 -2.595231643e-22 -2.712587101e-22 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 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