# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1996--Cai-J-Ye-Y-Y--Al-Cu # implementation = EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 # composition = Al3Cu # 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 2024-11-27 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 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 1.670188338e+02 nan nan 1.14 1.534511546e+02 nan nan 1.16 1.409956120e+02 nan nan 1.18 1.295509302e+02 nan nan 1.20 1.190387674e+02 nan nan 1.22 1.093634340e+02 1.674946113e+02 nan 1.24 1.004664820e+02 1.549284859e+02 nan 1.26 9.227112510e+01 1.433123161e+02 1.643859014e+02 1.28 8.472432424e+01 1.325799030e+02 1.523891701e+02 1.30 7.777223601e+01 1.226379984e+02 1.412807560e+02 1.32 7.136184950e+01 1.134334926e+02 1.309747620e+02 1.34 6.545839676e+01 1.049163329e+02 1.214240785e+02 1.36 6.000623163e+01 9.701639742e+01 1.125534833e+02 1.38 5.497819614e+01 8.969515776e+01 1.043199151e+02 1.40 5.033840543e+01 8.290551258e+01 9.667865469e+01 1.42 4.605427942e+01 7.661437054e+01 8.957549213e+01 1.44 4.209954189e+01 7.077027457e+01 8.297577625e+01 1.46 3.845150841e+01 6.534681933e+01 7.684514627e+01 1.48 3.507943108e+01 6.031204860e+01 7.113973378e+01 1.50 3.196626996e+01 5.563722613e+01 6.583440359e+01 1.52 2.909073312e+01 5.130219415e+01 6.089823122e+01 1.54 2.643801042e+01 4.726846511e+01 5.631223908e+01 1.56 2.398427521e+01 4.352268733e+01 5.203693459e+01 1.58 2.171818257e+01 4.004074087e+01 4.805866774e+01 1.60 1.962595547e+01 3.680527615e+01 4.435413538e+01 1.62 1.769702115e+01 3.380071690e+01 4.090514167e+01 1.64 1.591264644e+01 3.101023472e+01 3.769784851e+01 1.66 1.426499154e+01 2.841234260e+01 3.470674438e+01 1.68 1.274446829e+01 2.599817749e+01 3.192170300e+01 1.70 1.134211298e+01 2.375422223e+01 2.932761421e+01 1.72 1.005012811e+01 2.166881158e+01 2.691174994e+01 1.74 8.855733736e+00 1.973084976e+01 2.466619385e+01 1.76 7.754628779e+00 1.793221119e+01 2.257033145e+01 1.78 6.739918449e+00 1.626091181e+01 2.061865737e+01 1.80 5.805229960e+00 1.470599265e+01 1.880137956e+01 1.82 4.945614468e+00 1.326175063e+01 1.710940298e+01 1.84 4.156412420e+00 1.192135252e+01 1.553427598e+01 1.86 3.427900791e+00 1.067601357e+01 1.407505490e+01 1.88 2.758160623e+00 9.520088168e+00 1.270968056e+01 1.90 2.143124666e+00 8.447460395e+00 1.143931253e+01 1.92 1.578779852e+00 7.452444320e+00 1.025760455e+01 1.94 1.061671140e+00 6.532552112e+00 9.159435664e+00 1.96 5.877898526e-01 5.681617928e+00 8.137611025e+00 1.98 1.546938566e-01 4.888241930e+00 7.187923220e+00 2.00 -2.387615324e-01 4.153544088e+00 6.305590356e+00 2.02 -6.005396158e-01 3.473540391e+00 5.488488671e+00 2.04 -9.303412268e-01 2.844520551e+00 4.727503159e+00 2.06 -1.230374281e+00 2.263415199e+00 4.021413082e+00 2.08 -1.502836724e+00 1.726176137e+00 3.366594651e+00 2.10 -1.749768056e+00 1.230249676e+00 2.759665657e+00 2.12 -1.973061080e+00 7.728365135e-01 2.198285974e+00 2.14 -2.174472681e+00 3.513263378e-01 1.677762277e+00 2.16 -2.355633704e+00 -3.671522432e-02 1.196282773e+00 2.18 -2.517391027e+00 -3.935590237e-01 7.512728577e-01 2.20 -2.661616125e+00 -7.213238044e-01 3.403268210e-01 2.22 -2.790866179e+00 -1.021986689e+00 -3.880348806e-02 2.24 -2.905002647e+00 -1.294399555e+00 -3.848540794e-01 2.26 -3.005749422e+00 -1.546607428e+00 -7.068977453e-01 2.28 -3.093835262e+00 -1.776851766e+00 -1.002986159e+00 2.30 -3.170232818e+00 -1.986638189e+00 -1.274841677e+00 2.32 -3.235850215e+00 -2.177372432e+00 -1.524074965e+00 2.34 -3.291522384e+00 -2.350367175e+00 -1.752192431e+00 2.36 -3.338034026e+00 -2.506848363e+00 -1.960603116e+00 2.38 -3.375713212e+00 -2.647184900e+00 -2.150431892e+00 2.40 -3.406062812e+00 -2.774092028e+00 -2.323322182e+00 2.42 -3.429285316e+00 -2.887687962e+00 -2.480208517e+00 2.44 -3.445925163e+00 -2.988907411e+00 -2.622170506e+00 2.46 -3.456092409e+00 -3.078622874e+00 -2.750219528e+00 2.48 -3.461264754e+00 -3.157650968e+00 -2.865301796e+00 2.50 -3.458671281e+00 -3.226752015e+00 -2.968300982e+00 2.52 -3.454353376e+00 -3.286639846e+00 -3.060048841e+00 2.54 -3.445819309e+00 -3.337977371e+00 -3.136805321e+00 2.56 -3.433444899e+00 -3.381386405e+00 -3.208772761e+00 2.58 -3.417402421e+00 -3.417450006e+00 -3.271619371e+00 2.60 -3.398114115e+00 -3.444401937e+00 -3.325995190e+00 2.62 -3.375982050e+00 -3.467585238e+00 -3.372488082e+00 2.64 -3.351357816e+00 -3.484917740e+00 -3.411668748e+00 2.66 -3.323748529e+00 -3.494441200e+00 -3.444058527e+00 2.68 -3.290906474e+00 -3.501611873e+00 -3.470138531e+00 2.70 -3.255276752e+00 -3.504158424e+00 -3.490392096e+00 2.72 -3.218737607e+00 -3.502423868e+00 -3.505226390e+00 2.74 -3.182407673e+00 -3.496764583e+00 -3.514757314e+00 2.76 -3.147988695e+00 -3.487546450e+00 -3.519983084e+00 2.78 -3.116680436e+00 -3.474993180e+00 -3.520936092e+00 2.80 -3.089978601e+00 -3.459346593e+00 -3.517892863e+00 2.82 -3.069438364e+00 -3.440892774e+00 -3.511201405e+00 2.84 -3.051258983e+00 -3.419962060e+00 -3.501192363e+00 2.86 -3.032197754e+00 -3.396826034e+00 -3.488124956e+00 2.88 -3.010873012e+00 -3.370853362e+00 -3.472100642e+00 2.90 -2.984597669e+00 -3.340988230e+00 -3.453432305e+00 2.92 -2.949775806e+00 -3.308748812e+00 -3.432434489e+00 2.94 -2.909466921e+00 -3.274952001e+00 -3.409354239e+00 2.96 -2.861161430e+00 -3.240892870e+00 -3.384435661e+00 2.98 -2.804851356e+00 -3.207272617e+00 -3.355579666e+00 3.00 -2.740440618e+00 -3.175371011e+00 -3.320772098e+00 3.02 -2.669191737e+00 -3.146345524e+00 -3.287012651e+00 3.04 -2.591239840e+00 -3.121943865e+00 -3.252905488e+00 3.06 -2.507087347e+00 -3.100495113e+00 -3.219162954e+00 3.08 -2.418411404e+00 -3.080759096e+00 -3.187022982e+00 3.10 -2.326751460e+00 -3.060767074e+00 -3.157388015e+00 3.12 -2.233278597e+00 -3.038964287e+00 -3.131219988e+00 3.14 -2.139213878e+00 -3.013969678e+00 -3.110468495e+00 3.16 -2.045613666e+00 -2.984135452e+00 -3.092523119e+00 3.18 -1.953297568e+00 -2.948406152e+00 -3.074712579e+00 3.20 -1.862891798e+00 -2.906194070e+00 -3.055335992e+00 3.22 -1.774865088e+00 -2.857271180e+00 -3.033174179e+00 3.24 -1.689558407e+00 -2.801681529e+00 -3.006567558e+00 3.26 -1.607209521e+00 -2.739670532e+00 -2.974396310e+00 3.28 -1.527973251e+00 -2.671512679e+00 -2.936000942e+00 3.30 -1.451938167e+00 -2.597690893e+00 -2.891079501e+00 3.32 -1.379140318e+00 -2.519336498e+00 -2.839603707e+00 3.34 -1.309574491e+00 -2.437407298e+00 -2.781750804e+00 3.36 -1.242725980e+00 -2.351810659e+00 -2.717196488e+00 3.38 -1.179531310e+00 -2.265604985e+00 -2.647691619e+00 3.40 -1.119385779e+00 -2.178516156e+00 -2.572739324e+00 3.42 -1.062196038e+00 -2.091428054e+00 -2.493413833e+00 3.44 -1.007859309e+00 -2.005083396e+00 -2.410990818e+00 3.46 -9.562665979e-01 -1.920065942e+00 -2.326535313e+00 3.48 -9.073052532e-01 -1.836827773e+00 -2.240863972e+00 3.50 -8.608609974e-01 -1.752384303e+00 -2.154769838e+00 3.52 -8.168195190e-01 -1.673888251e+00 -2.069042741e+00 3.54 -7.750677078e-01 -1.597934310e+00 -1.984310912e+00 3.56 -7.354945989e-01 -1.524643018e+00 -1.901067662e+00 3.58 -6.967640992e-01 -1.454086430e+00 -1.819694200e+00 3.60 -6.613355891e-01 -1.386297466e+00 -1.740478873e+00 3.62 -6.277624493e-01 -1.321277694e+00 -1.663633362e+00 3.64 -5.959484335e-01 -1.259003806e+00 -1.589306298e+00 3.66 -5.658013404e-01 -1.199432990e+00 -1.517594709e+00 3.68 -5.372330776e-01 -1.142507374e+00 -1.448553610e+00 3.70 -5.101596656e-01 -1.088157692e+00 -1.382204038e+00 3.72 -4.834121079e-01 -1.036306292e+00 -1.318539770e+00 3.74 -4.591693362e-01 -9.868696107e-01 -1.257532918e+00 3.76 -4.361881186e-01 -9.397601751e-01 -1.199138594e+00 3.78 -4.144005678e-01 -8.948882331e-01 -1.143298773e+00 3.80 -3.937423906e-01 -8.521630625e-01 -1.089945499e+00 3.82 -3.741527431e-01 -8.114940148e-01 -1.039003517e+00 3.84 -3.555740793e-01 -7.727913409e-01 -9.903924416e-01 3.86 -3.378970043e-01 -7.359668334e-01 -9.404745355e-01 3.88 -3.211846670e-01 -7.009343201e-01 -8.965288535e-01 3.90 -3.053285583e-01 -6.676100334e-01 -8.546399305e-01 3.92 -2.902828378e-01 -6.359128781e-01 -8.147227213e-01 3.94 -2.760042137e-01 -6.057646175e-01 -7.766930260e-01 3.96 -2.624518040e-01 -5.770899918e-01 -7.404680634e-01 3.98 -2.495870035e-01 -5.498167829e-01 -7.059669138e-01 4.00 -2.373733572e-01 -5.238758353e-01 -6.731108525e-01 4.02 -2.257764383e-01 -4.992010436e-01 -6.418235946e-01 4.04 -2.147637335e-01 -4.757293122e-01 -6.120314660e-01 4.06 -2.043045330e-01 -4.534004949e-01 -5.836635147e-01 4.08 -1.943698269e-01 -4.321573185e-01 -5.566515740e-01 4.10 -1.849322074e-01 -4.109593836e-01 -5.309302865e-01 4.12 -1.759657761e-01 -3.918030690e-01 -5.064370961e-01 4.14 -1.674460562e-01 -3.735709487e-01 -4.831122171e-01 4.16 -1.593499110e-01 -3.562167569e-01 -4.608985824e-01 4.18 -1.516554661e-01 -3.396965678e-01 -4.397417781e-01 4.20 -1.443420362e-01 -3.239686919e-01 -4.195899668e-01 4.22 -1.373900569e-01 -3.089935723e-01 -4.003938031e-01 4.24 -1.307810203e-01 -2.947336840e-01 -3.821063432e-01 4.26 -1.244974140e-01 -2.811534346e-01 -3.646829519e-01 4.28 -1.185226646e-01 -2.682190684e-01 -3.480812072e-01 4.30 -1.128410840e-01 -2.558985734e-01 -3.322608046e-01 4.32 -1.074378190e-01 -2.441615921e-01 -3.171834620e-01 4.34 -1.022988042e-01 -2.329793354e-01 -3.028128261e-01 4.36 -9.741071774e-02 -2.223245008e-01 -2.891143803e-01 4.38 -9.276093930e-02 -2.121711940e-01 -2.760553561e-01 4.40 -8.833751102e-02 -2.024948541e-01 -2.636046460e-01 4.42 -8.412910063e-02 -1.932721828e-01 -2.517327205e-01 4.44 -8.012496675e-02 -1.844810770e-01 -2.404115481e-01 4.46 -7.631492629e-02 -1.761005644e-01 -2.296145183e-01 4.48 -7.268932376e-02 -1.681107436e-01 -2.193163683e-01 4.50 -6.923900240e-02 -1.604927262e-01 -2.094931128e-01 4.52 -6.595527700e-02 -1.532285825e-01 -2.001219774e-01 4.54 -6.282990831e-02 -1.463012906e-01 -1.911813354e-01 4.56 -5.985507895e-02 -1.396946873e-01 -1.826506470e-01 4.58 -5.702337067e-02 -1.333934228e-01 -1.745104023e-01 4.60 -5.432774300e-02 -1.273829168e-01 -1.667420674e-01 4.62 -5.176151303e-02 -1.216493183e-01 -1.593280327e-01 4.64 -4.931833642e-02 -1.161794662e-01 -1.522515641e-01 4.66 -4.699218943e-02 -1.109608537e-01 -1.454967573e-01 4.68 -4.477735201e-02 -1.059815930e-01 -1.390484944e-01 4.70 -4.266839182e-02 -1.012303834e-01 -1.328924022e-01 4.72 -4.066014911e-02 -9.669648042e-02 -1.270148137e-01 4.74 -3.874772254e-02 -9.236966690e-02 -1.209337412e-01 4.76 -3.692645567e-02 -8.824022542e-02 -1.156060110e-01 4.78 -3.519192424e-02 -8.429891266e-02 -1.105175762e-01 4.80 -3.353992420e-02 -8.053693486e-02 -1.056573863e-01 4.82 -3.196646030e-02 -7.694592482e-02 -1.010149225e-01 4.84 -3.046773537e-02 -7.351792003e-02 -9.658017050e-02 4.86 -2.904014015e-02 -7.024534209e-02 -9.234359508e-02 4.88 -2.768024370e-02 -6.712097720e-02 -8.829611570e-02 4.90 -2.638478425e-02 -6.413795772e-02 -8.442908369e-02 4.92 -2.515066065e-02 -6.128974476e-02 -8.073426056e-02 4.94 -2.397492417e-02 -5.857011165e-02 -7.720379745e-02 4.96 -2.285477081e-02 -5.597312833e-02 -7.383021577e-02 4.98 -2.178753396e-02 -5.349314659e-02 -7.060638878e-02 5.00 -2.077067750e-02 -5.112478605e-02 -6.752552421e-02 5.02 -1.980178924e-02 -4.886292090e-02 -6.458114779e-02 5.04 -1.887857467e-02 -4.670266736e-02 -6.176708760e-02 5.06 -1.799885109e-02 -4.463937176e-02 -5.907745932e-02 5.08 -1.716054202e-02 -4.266859927e-02 -5.650665218e-02 5.10 -1.636167188e-02 -4.078612318e-02 -5.404931568e-02 5.12 -1.560036102e-02 -3.898791482e-02 -5.170034701e-02 5.14 -1.487482086e-02 -3.727013387e-02 -4.945487904e-02 5.16 -1.418334948e-02 -3.562911926e-02 -4.730826905e-02 5.18 -1.352432724e-02 -3.406138053e-02 -4.525608790e-02 5.20 -1.289621275e-02 -3.256358958e-02 -4.329410989e-02 5.22 -1.229753903e-02 -3.113257289e-02 -4.141830300e-02 5.24 -1.172690978e-02 -2.976530407e-02 -3.962481971e-02 5.26 -1.118299597e-02 -2.845889688e-02 -3.790998828e-02 5.28 -1.066453247e-02 -2.721059850e-02 -3.627030438e-02 5.30 -1.017031498e-02 -2.601778320e-02 -3.470242326e-02 5.32 -9.699197000e-03 -2.487794628e-02 -3.320315222e-02 5.34 -9.250087023e-03 -2.378869838e-02 -3.176944347e-02 5.36 -8.821945844e-03 -2.274775997e-02 -3.039838737e-02 5.38 -8.413784009e-03 -2.175295619e-02 -2.908720596e-02 5.40 -8.024659389e-03 -2.080221194e-02 -2.783324684e-02 5.42 -7.653674876e-03 -1.989354714e-02 -2.663397735e-02 5.44 -7.299976197e-03 -1.902507233e-02 -2.548697897e-02 5.46 -6.374758003e-03 -1.819498438e-02 -2.438994210e-02 5.48 -6.086879641e-03 -1.740156245e-02 -2.334066097e-02 5.50 -5.812038335e-03 -1.664316418e-02 -2.233702889e-02 5.52 -5.549641047e-03 -1.591822203e-02 -2.137703369e-02 5.54 -5.299121905e-03 -1.522523974e-02 -2.045875336e-02 5.56 -5.059940936e-03 -1.456278911e-02 -1.958035194e-02 5.58 -4.831582878e-03 -1.392950674e-02 -1.874007556e-02 5.60 -4.613556031e-03 -1.332409113e-02 -1.793624869e-02 5.62 -4.405391171e-03 -1.274529971e-02 -1.716727059e-02 5.64 -4.206640516e-03 -1.219194623e-02 -1.643161187e-02 5.66 -4.016876733e-03 -1.166289805e-02 -1.572781128e-02 5.68 -3.835691998e-03 -1.115707375e-02 -1.505447258e-02 5.70 -3.662697096e-03 -1.067344073e-02 -1.441026160e-02 5.72 -3.497520567e-03 -1.021101299e-02 -1.379390344e-02 5.74 -3.339807890e-03 -9.768848967e-03 -1.320417981e-02 5.76 -3.189220698e-03 -9.346049511e-03 -1.263992640e-02 5.78 -3.045436045e-03 -8.941755938e-03 -1.210003052e-02 5.80 -2.908145692e-03 -7.721426973e-03 -1.158342872e-02 5.82 -2.777055433e-03 -7.391960045e-03 -1.108910463e-02 5.84 -2.651884453e-03 -7.076689356e-03 -1.061608678e-02 5.86 -2.532364714e-03 -6.774996629e-03 -1.016344660e-02 5.88 -2.418240369e-03 -6.486290842e-03 -9.730296547e-03 5.90 -2.309267203e-03 -6.210007001e-03 -9.315788185e-03 5.92 -2.205212102e-03 -5.945604984e-03 -8.919110491e-03 5.94 -2.105852545e-03 -5.692568430e-03 -8.539488161e-03 5.96 -2.010976121e-03 -5.450403675e-03 -8.176180014e-03 5.98 -8.016231860e-04 -5.218638747e-03 -7.828477467e-03 6.00 -7.641330480e-04 -4.996822400e-03 -7.495703087e-03