# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Agrawal-A-Mirzaeifar-R--Cu-C # implementation = 2021--Agrawal-A--Cu-C--LAMMPS--ipr1 # composition = C3Cu # 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 1.614195126e+02 nan nan 0.92 1.575001423e+02 nan nan 0.94 1.530267759e+02 nan nan 0.96 1.481216666e+02 nan nan 0.98 1.428907213e+02 1.453625284e+02 nan 1.00 1.374253357e+02 1.425720529e+02 nan 1.02 1.318040409e+02 1.392631954e+02 1.403137511e+02 1.04 1.260939817e+02 1.355340733e+02 1.377512896e+02 1.06 1.203522404e+02 1.314710268e+02 1.347166532e+02 1.08 1.146270238e+02 1.271498082e+02 1.312943904e+02 1.10 1.089587242e+02 1.226366640e+02 1.275594647e+02 1.12 1.033808693e+02 1.179893165e+02 1.235781651e+02 1.14 9.792096917e+01 1.132578526e+02 1.194089385e+02 1.16 9.260127336e+01 1.084855314e+02 1.151031516e+02 1.18 8.743944470e+01 1.037095144e+02 1.107057846e+02 1.20 8.244915960e+01 9.896152593e+01 1.062560645e+02 1.22 7.764064179e+01 9.426845183e+01 1.017880437e+02 1.24 7.302113610e+01 8.965287898e+01 9.733112572e+01 1.26 6.859532863e+01 8.513358309e+01 9.291054399e+01 1.28 6.436571882e+01 8.072596885e+01 8.854779878e+01 1.30 6.033294815e+01 7.644246592e+01 8.426105268e+01 1.32 5.649609025e+01 7.229288599e+01 8.006549104e+01 1.34 5.285290641e+01 6.828474372e+01 7.597364883e+01 1.36 4.940006990e+01 6.442354476e+01 7.199570653e+01 1.38 4.613336286e+01 6.071304459e+01 6.813975901e+01 1.40 4.304784834e+01 5.715548014e+01 6.441205828e+01 1.42 4.013802031e+01 5.375177704e+01 6.081723304e+01 1.44 3.739793413e+01 5.050173501e+01 5.735848728e+01 1.46 3.482131949e+01 4.740419295e+01 5.403777899e+01 1.48 3.240167796e+01 4.445717613e+01 5.085598137e+01 1.50 3.013236665e+01 4.165802700e+01 4.781302794e+01 1.52 2.800666983e+01 3.900352107e+01 4.490804262e+01 1.54 2.601785976e+01 3.648996964e+01 4.213945662e+01 1.56 2.415924791e+01 3.411331044e+01 3.950511310e+01 1.58 2.242422799e+01 3.186918733e+01 3.700236050e+01 1.60 2.080631148e+01 2.975302046e+01 3.462813606e+01 1.62 1.929915678e+01 2.776006748e+01 3.237903998e+01 1.64 1.789659270e+01 2.588547698e+01 3.025140128e+01 1.66 1.659263702e+01 2.412433489e+01 2.824133625e+01 1.68 1.538151078e+01 2.247170453e+01 2.634479992e+01 1.70 1.425764886e+01 2.092266100e+01 2.455763147e+01 1.72 1.321570733e+01 1.947232062e+01 2.287559403e+01 1.74 1.225056808e+01 1.811586574e+01 2.129440942e+01 1.76 1.135734110e+01 1.684856574e+01 1.980978845e+01 1.78 1.053136473e+01 1.566579432e+01 1.841745706e+01 1.80 9.768204242e+00 1.456304374e+01 1.711317881e+01 1.82 9.063648971e+00 1.353593624e+01 1.589277414e+01 1.84 8.413708342e+00 1.258023311e+01 1.475213662e+01 1.86 7.814606875e+00 1.169184145e+01 1.368724660e+01 1.88 7.262778435e+00 1.086681924e+01 1.269418257e+01 1.90 6.754859871e+00 1.010137858e+01 1.176913028e+01 1.92 6.287684177e+00 9.391887673e+00 1.090839019e+01 1.94 5.858273308e+00 8.734871450e+00 1.010838315e+01 1.96 5.463830743e+00 8.127011197e+00 9.365654641e+00 1.98 5.101733900e+00 7.565143260e+00 8.676877839e+00 2.00 4.769526476e+00 7.046256978e+00 8.038855425e+00 2.02 4.464910769e+00 6.567491966e+00 7.448520505e+00 2.04 4.185740055e+00 6.126134865e+00 6.902936648e+00 2.06 3.930011052e+00 5.719615646e+00 6.399297196e+00 2.08 3.695856515e+00 5.345503560e+00 5.934923934e+00 2.10 3.481538000e+00 5.001502797e+00 5.507265235e+00 2.12 3.285438813e+00 4.685447939e+00 5.113893728e+00 2.14 3.106057171e+00 4.395299250e+00 4.752503606e+00 2.16 2.941999586e+00 4.129137858e+00 4.420907595e+00 2.18 2.791974495e+00 3.885160878e+00 4.117033691e+00 2.20 2.654786122e+00 3.661676501e+00 3.838921669e+00 2.22 2.529328608e+00 3.457099104e+00 3.584719449e+00 2.24 2.414580384e+00 3.269944382e+00 3.352679342e+00 2.26 2.309598800e+00 3.098824554e+00 3.141154210e+00 2.28 2.213515014e+00 2.942443638e+00 2.948593584e+00 2.30 2.125529125e+00 2.799592831e+00 2.773539756e+00 2.32 2.044905556e+00 2.669145996e+00 2.614623875e+00 2.34 1.970968676e+00 2.550055277e+00 2.470562066e+00 2.36 1.903098662e+00 2.441346838e+00 2.340151596e+00 2.38 1.840727580e+00 2.342116750e+00 2.222267087e+00 2.40 1.783335702e+00 2.251527014e+00 2.115856807e+00 2.42 1.730448018e+00 2.168801739e+00 2.019939039e+00 2.44 1.681630970e+00 2.093223462e+00 1.933598540e+00 2.46 1.636489372e+00 2.024129628e+00 1.855983097e+00 2.48 1.594663525e+00 1.960909212e+00 1.786300186e+00 2.50 1.555826507e+00 1.902999500e+00 1.723813737e+00 2.52 1.519681641e+00 1.849883008e+00 1.667841012e+00 2.54 1.485960122e+00 1.801084560e+00 1.617749595e+00 2.56 1.454418802e+00 1.756168499e+00 1.572954497e+00 2.58 1.424838121e+00 1.714736042e+00 1.532915374e+00 2.60 1.397020180e+00 1.676422773e+00 1.497133862e+00 2.62 1.370786943e+00 1.640896268e+00 1.465151025e+00 2.64 1.345978567e+00 1.607853845e+00 1.436544917e+00 2.66 1.322451852e+00 1.577020446e+00 1.410928255e+00 2.68 1.300078791e+00 1.548146629e+00 1.387946201e+00 2.70 1.278745239e+00 1.521006685e+00 1.367274250e+00 2.72 1.258349670e+00 1.495396856e+00 1.348616225e+00 2.74 1.238802030e+00 1.471133670e+00 1.331702374e+00 2.76 1.220022675e+00 1.448052368e+00 1.316287559e+00 2.78 1.201941388e+00 1.426005433e+00 1.302149551e+00 2.80 1.184496481e+00 1.404861211e+00 1.289087409e+00 2.82 1.167633949e+00 1.384502620e+00 1.276919951e+00 2.84 1.151306711e+00 1.364825939e+00 1.265484312e+00 2.86 1.135473897e+00 1.345739686e+00 1.254634582e+00 2.88 1.120100198e+00 1.327163561e+00 1.244240528e+00 2.90 1.105155269e+00 1.309027468e+00 1.234186383e+00 2.92 1.090613179e+00 1.291270600e+00 1.224369715e+00 2.94 1.076451909e+00 1.273840595e+00 1.214700367e+00 2.96 1.062652891e+00 1.256692740e+00 1.205099452e+00 2.98 1.049200587e+00 1.239789247e+00 1.195498427e+00 3.00 1.036082099e+00 1.223098571e+00 1.185838210e+00 3.02 1.023286822e+00 1.206594783e+00 1.176068367e+00 3.04 1.010806117e+00 1.190256993e+00 1.166146349e+00 3.06 9.986330169e-01 1.174068813e+00 1.156036779e+00 3.08 9.867619608e-01 1.158017863e+00 1.145710786e+00 3.10 9.751885450e-01 1.142095317e+00 1.135145392e+00 3.12 9.639093001e-01 1.126295486e+00 1.124322935e+00 3.14 9.529214860e-01 1.110615433e+00 1.113230538e+00 3.16 9.422229047e-01 1.095054621e+00 1.101859613e+00 3.18 9.318117284e-01 1.079614594e+00 1.090205406e+00 3.20 9.216863430e-01 1.064298676e+00 1.078266574e+00 3.22 9.118452033e-01 1.049111707e+00 1.066044790e+00 3.24 9.022867008e-01 1.034059796e+00 1.053544391e+00 3.26 8.930090411e-01 1.019150096e+00 1.040772037e+00 3.28 8.840101311e-01 1.004390604e+00 1.027736415e+00 3.30 8.752874742e-01 9.897899712e-01 1.014447953e+00 3.32 8.668380730e-01 9.753573402e-01 1.000918566e+00 3.34 8.586583384e-01 9.611021901e-01 9.871614233e-01 3.36 8.507440054e-01 9.470342002e-01 9.731907320e-01 3.38 8.430900541e-01 9.331631249e-01 9.590215449e-01 3.40 8.356906355e-01 9.194986810e-01 9.446695820e-01 3.42 8.285390032e-01 9.060504458e-01 9.301510716e-01 3.44 8.216274493e-01 8.928277642e-01 9.154826052e-01 3.46 8.149472460e-01 8.798396649e-01 9.006810074e-01 3.48 8.084885921e-01 8.670947839e-01 8.857631972e-01 3.50 8.022405653e-01 8.546012947e-01 8.707456273e-01 3.52 7.961910813e-01 8.423668443e-01 8.556441159e-01 3.54 7.903268601e-01 8.303984942e-01 8.404775974e-01 3.56 7.846334001e-01 8.187026652e-01 8.252636248e-01 3.58 7.790949623e-01 8.072850868e-01 8.100166108e-01 3.60 7.736945650e-01 7.961507481e-01 7.947523680e-01 3.62 7.684139911e-01 7.853038523e-01 7.794863046e-01 3.64 7.632338091e-01 7.747477721e-01 7.642333834e-01 3.66 7.581334101e-01 7.644850068e-01 7.490080868e-01 3.68 7.530910628e-01 7.545171406e-01 7.338243884e-01 3.70 7.480839871e-01 7.448448015e-01 7.186957298e-01 3.72 7.430884495e-01 7.354676207e-01 7.036350011e-01 3.74 7.380798813e-01 7.263841923e-01 6.886545277e-01 3.76 7.330330203e-01 7.175920345e-01 6.737660596e-01 3.78 7.279220778e-01 7.090875506e-01 6.589807648e-01 3.80 7.227209313e-01 7.008659910e-01 6.443092260e-01 3.82 7.174033424e-01 6.929214180e-01 6.297614404e-01 3.84 7.119431984e-01 6.852466715e-01 6.153468212e-01 3.86 7.063147784e-01 6.778333384e-01 6.010742029e-01 3.88 7.004930377e-01 6.706717264e-01 5.869518473e-01 3.90 6.944539105e-01 6.637508425e-01 5.729874517e-01 3.92 6.881746236e-01 6.570583793e-01 5.591881595e-01 3.94 6.816340173e-01 6.505807084e-01 5.455605707e-01 3.96 6.748128661e-01 6.443028854e-01 5.321107549e-01 3.98 6.676941924e-01 6.382086665e-01 5.188442648e-01 4.00 6.602635651e-01 6.322805395e-01 5.057661503e-01 4.02 6.529830283e-01 6.264997710e-01 4.928809737e-01 4.04 6.515031498e-01 6.208464726e-01 4.801928253e-01 4.06 6.570574330e-01 6.152996872e-01 4.677053396e-01 4.08 6.346117990e-01 6.098374982e-01 4.554217116e-01 4.10 6.195299469e-01 6.044371623e-01 4.433447138e-01 4.12 6.051735680e-01 5.990752673e-01 4.314767126e-01 4.14 5.908597340e-01 5.937279154e-01 4.198196854e-01 4.16 5.766146132e-01 5.883709325e-01 4.083752376e-01 4.18 5.624625853e-01 5.829801004e-01 3.971446195e-01 4.20 5.484262034e-01 5.775314133e-01 3.861287427e-01 4.22 5.345261730e-01 5.720013517e-01 3.753281968e-01 4.24 5.207813504e-01 5.663671733e-01 3.647432660e-01 4.26 5.072087575e-01 5.603627791e-01 3.543739448e-01 4.28 4.938236125e-01 5.491181051e-01 3.442199538e-01 4.30 4.806393760e-01 5.200740073e-01 3.342807552e-01 4.32 4.676678085e-01 4.714781903e-01 3.245555680e-01 4.34 4.549190407e-01 4.542400740e-01 3.150433823e-01 4.36 4.424016520e-01 4.493690931e-01 3.057429742e-01 4.38 4.301227576e-01 4.441443182e-01 2.966529191e-01 4.40 4.171312269e-01 4.385802224e-01 2.877716054e-01 4.42 3.865025201e-01 4.326937173e-01 2.790972479e-01 4.44 2.941015473e-01 4.265039385e-01 2.706278995e-01 4.46 6.007169390e-02 4.200319913e-01 2.623614643e-01 4.48 -4.922614432e-02 4.133006631e-01 2.542957089e-01 4.50 -4.807097418e-02 4.063341116e-01 2.464282735e-01 4.52 -4.694219392e-02 3.991575374e-01 2.387566829e-01 4.54 -4.583901260e-02 3.917968476e-01 2.312783570e-01 4.56 -4.476067988e-02 3.842783225e-01 2.239906206e-01 4.58 -4.370648347e-02 3.766282892e-01 2.168907127e-01 4.60 -4.267574670e-02 3.688728137e-01 2.099757961e-01 4.62 -4.166782626e-02 3.610374136e-01 2.032429656e-01 4.64 -4.068211008e-02 3.531468003e-01 1.966892563e-01 4.66 -3.971801528e-02 3.452246512e-01 1.903116517e-01 4.68 -3.877498632e-02 3.372934178e-01 1.841070909e-01 4.70 -3.785249321e-02 3.293741683e-01 1.780724759e-01 4.72 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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