# 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 = AlCu3 # 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 1.451723563e+02 nan nan 1.14 1.328118266e+02 nan nan 1.16 1.214904146e+02 nan nan 1.18 1.111134479e+02 nan nan 1.20 1.016063046e+02 nan nan 1.22 9.287882448e+01 1.454925511e+02 nan 1.24 8.487550545e+01 1.340435441e+02 nan 1.26 7.752355501e+01 1.234831432e+02 1.426542097e+02 1.28 7.077290744e+01 1.137482024e+02 1.317289724e+02 1.30 6.457381839e+01 1.047510064e+02 1.216344765e+02 1.32 5.887515086e+01 9.644126093e+01 1.122894951e+02 1.34 5.364458253e+01 8.877126302e+01 1.036492313e+02 1.36 4.882947574e+01 8.167519784e+01 9.564287890e+01 1.38 4.440397503e+01 7.511623331e+01 8.822940811e+01 1.40 4.033544198e+01 6.905032508e+01 8.136653848e+01 1.42 3.659251346e+01 6.344586380e+01 7.500328219e+01 1.44 3.315066891e+01 5.825467262e+01 6.910665852e+01 1.46 2.998825736e+01 5.345165367e+01 6.364441416e+01 1.48 2.707734850e+01 4.900678893e+01 5.857528790e+01 1.50 2.440141204e+01 4.489300315e+01 5.387531990e+01 1.52 2.194069539e+01 4.109121222e+01 4.951569345e+01 1.54 1.968188776e+01 3.756554416e+01 4.547823953e+01 1.56 1.760190495e+01 3.430306364e+01 4.172614184e+01 1.58 1.569059229e+01 3.128169929e+01 3.824623684e+01 1.60 1.393499886e+01 2.848490226e+01 3.501701997e+01 1.62 1.232590942e+01 2.589806362e+01 3.202122656e+01 1.64 1.084509947e+01 2.350546178e+01 2.924582171e+01 1.66 9.485921506e+00 2.128711968e+01 2.666707032e+01 1.68 8.239341723e+00 1.923466695e+01 2.427536374e+01 1.70 7.096863354e+00 1.733560186e+01 2.205672466e+01 1.72 6.052144383e+00 1.557902389e+01 1.999920317e+01 1.74 5.092629570e+00 1.395462421e+01 1.809537152e+01 1.76 4.214644795e+00 1.245484863e+01 1.632613922e+01 1.78 3.411887498e+00 1.106860931e+01 1.468633879e+01 1.80 2.678544553e+00 9.785776655e+00 1.316687848e+01 1.82 2.009818867e+00 8.601074510e+00 1.175932506e+01 1.84 1.402359665e+00 7.508084954e+00 1.045585277e+01 1.86 8.463893140e-01 6.498965367e+00 9.255562638e+00 1.88 3.406329601e-01 5.568396081e+00 8.138128121e+00 1.90 -1.186552276e-01 4.710766089e+00 7.104606884e+00 1.92 -5.350839586e-01 3.920868422e+00 6.149158598e+00 1.94 -9.117836050e-01 3.196449348e+00 5.266965555e+00 1.96 -1.252273943e+00 2.531873524e+00 4.451666110e+00 1.98 -1.558898684e+00 1.916689713e+00 3.699282513e+00 2.00 -1.832092160e+00 1.351981862e+00 3.005445033e+00 2.02 -2.079620116e+00 8.341381185e-01 2.368237946e+00 2.04 -2.301085477e+00 3.598022125e-01 1.779310611e+00 2.06 -2.498308086e+00 -7.384493019e-02 1.237587090e+00 2.08 -2.673218803e+00 -4.703464722e-01 7.397821719e-01 2.10 -2.827603224e+00 -8.320493191e-01 2.828362074e-01 2.12 -2.963113086e+00 -1.161461626e+00 -1.354655513e-01 2.14 -3.081276114e+00 -1.460915958e+00 -5.191369740e-01 2.16 -3.183504016e+00 -1.732581992e+00 -8.699169571e-01 2.18 -3.270709540e+00 -1.978478182e+00 -1.190113143e+00 2.20 -3.343988694e+00 -2.200482462e+00 -1.481876210e+00 2.22 -3.406019093e+00 -2.400342174e+00 -1.747210901e+00 2.24 -3.456599363e+00 -2.576926229e+00 -1.984885821e+00 2.26 -3.497038275e+00 -2.737570478e+00 -2.203191321e+00 2.28 -3.528029313e+00 -2.880583187e+00 -2.400265804e+00 2.30 -3.550399288e+00 -3.007278806e+00 -2.577628539e+00 2.32 -3.564891188e+00 -3.118880075e+00 -2.736696121e+00 2.34 -3.572224085e+00 -3.216525640e+00 -2.878789459e+00 2.36 -3.573032319e+00 -3.301275085e+00 -3.005140326e+00 2.38 -3.567586428e+00 -3.373511604e+00 -3.116747253e+00 2.40 -3.557150061e+00 -3.435431856e+00 -3.214999430e+00 2.42 -3.541833938e+00 -3.487202109e+00 -3.300725224e+00 2.44 -3.522043082e+00 -3.529620024e+00 -3.374856446e+00 2.46 -3.498071070e+00 -3.563423358e+00 -3.438260130e+00 2.48 -3.470969825e+00 -3.589300217e+00 -3.491749522e+00 2.50 -3.437318888e+00 -3.607896332e+00 -3.536074375e+00 2.52 -3.402546651e+00 -3.619795606e+00 -3.571946481e+00 2.54 -3.365364788e+00 -3.625565074e+00 -3.595865904e+00 2.56 -3.327041074e+00 -3.625717495e+00 -3.617157599e+00 2.58 -3.287886657e+00 -3.620707605e+00 -3.631791410e+00 2.60 -3.246142572e+00 -3.608901229e+00 -3.640288235e+00 2.62 -3.204683406e+00 -3.595152292e+00 -3.643178994e+00 2.64 -3.165106236e+00 -3.577431299e+00 -3.640896434e+00 2.66 -3.126729925e+00 -3.553926721e+00 -3.633863629e+00 2.68 -3.089104242e+00 -3.529638261e+00 -3.622531793e+00 2.70 -3.051969181e+00 -3.502480824e+00 -3.607271535e+00 2.72 -3.016483502e+00 -3.472185004e+00 -3.588327141e+00 2.74 -2.981883164e+00 -3.438406869e+00 -3.565876496e+00 2.76 -2.944437917e+00 -3.402471306e+00 -3.540767593e+00 2.78 -2.901692829e+00 -3.364979368e+00 -3.513018180e+00 2.80 -2.852191981e+00 -3.326266233e+00 -3.482238421e+00 2.82 -2.795153892e+00 -3.286636810e+00 -3.448250809e+00 2.84 -2.730442706e+00 -3.246454418e+00 -3.412294810e+00 2.86 -2.658650982e+00 -3.208229249e+00 -3.375340596e+00 2.88 -2.580916607e+00 -3.171911636e+00 -3.337108652e+00 2.90 -2.497947033e+00 -3.136723254e+00 -3.296629093e+00 2.92 -2.408511166e+00 -3.103102164e+00 -3.255968014e+00 2.94 -2.317693801e+00 -3.070134259e+00 -3.217460276e+00 2.96 -2.223832372e+00 -3.036878458e+00 -3.181222629e+00 2.98 -2.128512807e+00 -3.003065103e+00 -3.146567550e+00 3.00 -2.032980134e+00 -2.966291800e+00 -3.110865307e+00 3.02 -1.938622336e+00 -2.924777512e+00 -3.078574936e+00 3.04 -1.846078721e+00 -2.877444143e+00 -3.048430440e+00 3.06 -1.755945685e+00 -2.823746496e+00 -3.017691004e+00 3.08 -1.668651254e+00 -2.763409204e+00 -2.983842038e+00 3.10 -1.584489576e+00 -2.696840784e+00 -2.945211069e+00 3.12 -1.503648948e+00 -2.624767567e+00 -2.900777613e+00 3.14 -1.426234550e+00 -2.547909259e+00 -2.850019895e+00 3.16 -1.352286829e+00 -2.466904986e+00 -2.792718561e+00 3.18 -1.281796359e+00 -2.382708986e+00 -2.729043529e+00 3.20 -1.214715785e+00 -2.296230021e+00 -2.659710676e+00 3.22 -1.150969423e+00 -2.208089303e+00 -2.585458286e+00 3.24 -1.090460931e+00 -2.119138813e+00 -2.507009715e+00 3.26 -1.033079407e+00 -2.030405844e+00 -2.425061356e+00 3.28 -9.787042275e-01 -1.942690834e+00 -2.340078651e+00 3.30 -9.272088463e-01 -1.856608420e+00 -2.252818392e+00 3.32 -8.784637618e-01 -1.772621854e+00 -2.164563389e+00 3.34 -8.323388105e-01 -1.691071469e+00 -2.076340761e+00 3.36 -7.884468786e-01 -1.611391985e+00 -1.988447586e+00 3.38 -7.472018094e-01 -1.535419554e+00 -1.902569793e+00 3.40 -7.081955203e-01 -1.462377390e+00 -1.818626369e+00 3.42 -6.713089956e-01 -1.392311773e+00 -1.736971300e+00 3.44 -6.364277355e-01 -1.325228879e+00 -1.657859867e+00 3.46 -6.034420571e-01 -1.261103601e+00 -1.581467438e+00 3.48 -5.722472595e-01 -1.199886760e+00 -1.507905022e+00 3.50 -5.427436853e-01 -1.138989509e+00 -1.437232114e+00 3.52 -5.148367021e-01 -1.083564938e+00 -1.369467294e+00 3.54 -4.884366236e-01 -1.030796026e+00 -1.304596947e+00 3.56 -4.634585861e-01 -9.805868129e-01 -1.242582417e+00 3.58 -4.395014759e-01 -9.328372774e-01 -1.183365873e+00 3.60 -4.171601373e-01 -8.874452946e-01 -1.126875089e+00 3.62 -3.960109583e-01 -8.443081841e-01 -1.073027333e+00 3.64 -3.759868643e-01 -8.033239154e-01 -1.021732513e+00 3.66 -3.570246569e-01 -7.643920353e-01 -9.728957153e-01 3.68 -3.390648129e-01 -7.274143697e-01 -9.264192300e-01 3.70 -3.220512859e-01 -6.922955424e-01 -8.822041665e-01 3.72 -3.048480844e-01 -6.589433453e-01 -8.401517214e-01 3.74 -2.896480697e-01 -6.272689904e-01 -8.001641669e-01 3.76 -2.752398063e-01 -5.971872661e-01 -7.621456088e-01 3.78 -2.615796732e-01 -5.686166197e-01 -7.260025577e-01 3.80 -2.486266009e-01 -5.414791793e-01 -6.916443459e-01 3.82 -2.363419179e-01 -5.157007304e-01 -6.589834237e-01 3.84 -2.246892051e-01 -4.912106575e-01 -6.279355537e-01 3.86 -2.134349675e-01 -4.679418589e-01 -5.958160838e-01 3.88 -2.029613491e-01 -4.458306419e-01 -5.679369128e-01 3.90 -1.930213208e-01 -4.248166042e-01 -5.414260417e-01 3.92 -1.835862858e-01 -4.048425066e-01 -5.162139907e-01 3.94 -1.746292814e-01 -3.858541391e-01 -4.922346064e-01 3.96 -1.661248788e-01 -3.678001851e-01 -4.694249798e-01 3.98 -1.580490902e-01 -3.506320844e-01 -4.477253478e-01 4.00 -1.503792810e-01 -3.343038976e-01 -4.270789838e-01 4.02 -1.430940877e-01 -3.187721734e-01 -4.074320796e-01 4.04 -1.361733412e-01 -3.039958183e-01 -3.887336238e-01 4.06 -1.295979951e-01 -2.899359717e-01 -3.709352770e-01 4.08 -1.233500588e-01 -2.765558847e-01 -3.539912475e-01 4.10 -1.174125337e-01 -2.632863395e-01 -3.378581677e-01 4.12 -1.117693554e-01 -2.512047508e-01 -3.224949729e-01 4.14 -1.064053379e-01 -2.397009996e-01 -3.078627832e-01 4.16 -1.013061222e-01 -2.287459309e-01 -2.939247895e-01 4.18 -9.645812810e-02 -2.183119545e-01 -2.806461434e-01 4.20 -9.184850872e-02 -2.083729575e-01 -2.679938515e-01 4.22 -8.746510830e-02 -1.989042204e-01 -2.559366745e-01 4.24 -8.329642237e-02 -1.898823385e-01 -2.444450312e-01 4.26 -7.933156044e-02 -1.812851475e-01 -2.334909066e-01 4.28 -7.556021110e-02 -1.730916536e-01 -2.230477656e-01 4.30 -7.197260920e-02 -1.652819674e-01 -2.130904704e-01 4.32 -6.855950504e-02 -1.578372414e-01 -2.035952027e-01 4.34 -6.531213547e-02 -1.507396123e-01 -1.945393902e-01 4.36 -6.222219674e-02 -1.439721449e-01 -1.859016372e-01 4.38 -5.928181898e-02 -1.375187812e-01 -1.776616589e-01 4.40 -5.648354219e-02 -1.313642911e-01 -1.698002198e-01 4.42 -5.382029367e-02 -1.254942269e-01 -1.622990755e-01 4.44 -5.128536685e-02 -1.198948797e-01 -1.551409178e-01 4.46 -4.887240122e-02 -1.145532394e-01 -1.483093229e-01 4.48 -4.657536362e-02 -1.094569561e-01 -1.417887030e-01 4.50 -4.438853045e-02 -1.045943043e-01 -1.355642606e-01 4.52 -4.230647104e-02 -9.995414913e-02 -1.296219449e-01 4.54 -4.032403187e-02 -9.552591445e-02 -1.239484118e-01 4.56 -3.843632179e-02 -9.129955283e-02 -1.185309853e-01 4.58 -3.663869803e-02 -8.726551738e-02 -1.133576219e-01 4.60 -3.492675298e-02 -8.341473510e-02 -1.084168761e-01 4.62 -3.329630179e-02 -7.973858179e-02 -1.036978691e-01 4.64 -3.174337059e-02 -7.622885845e-02 -9.919025840e-02 4.66 -3.026418540e-02 -7.287776896e-02 -9.488420955e-02 4.68 -2.885516170e-02 -6.967789902e-02 -9.077036936e-02 4.70 -2.751289446e-02 -6.662219637e-02 -8.683984076e-02 4.72 -2.623414885e-02 -6.370395197e-02 -8.308415904e-02 4.74 -2.501585140e-02 -6.091678241e-02 -7.923599439e-02 4.76 -2.385508160e-02 -5.825461313e-02 -7.582357596e-02 4.78 -2.274906405e-02 -5.571166266e-02 -7.256182492e-02 4.80 -2.169516097e-02 -5.328242770e-02 -6.944387194e-02 4.82 -2.069086512e-02 -5.096166904e-02 -6.646317453e-02 4.84 -1.973379313e-02 -4.874439818e-02 -6.361350053e-02 4.86 -1.882167916e-02 -4.662586476e-02 -6.088891261e-02 4.88 -1.795236893e-02 -4.460154459e-02 -5.828375342e-02 4.90 -1.712381399e-02 -4.266712837e-02 -5.579263177e-02 4.92 -1.633406643e-02 -4.081851099e-02 -5.341040932e-02 4.94 -1.558127372e-02 -3.905178139e-02 -5.113218815e-02 4.96 -1.486367393e-02 -3.736321299e-02 -4.895329893e-02 4.98 -1.417959116e-02 -3.574925456e-02 -4.686928966e-02 5.00 -1.352743118e-02 -3.420652163e-02 -4.487591512e-02 5.02 -1.290567738e-02 -3.273178834e-02 -4.296912673e-02 5.04 -1.231288685e-02 -3.132197964e-02 -4.114506307e-02 5.06 -1.174768671e-02 -2.997416401e-02 -3.940004078e-02 5.08 -1.120877059e-02 -2.868554642e-02 -3.773054603e-02 5.10 -1.069489534e-02 -2.745346178e-02 -3.613322631e-02 5.12 -1.020487789e-02 -2.627536865e-02 -3.460488274e-02 5.14 -9.737592241e-03 -2.514884326e-02 -3.314246274e-02 5.16 -9.291966678e-03 -2.407157388e-02 -3.174305303e-02 5.18 -8.866981048e-03 -2.304135544e-02 -3.040387303e-02 5.20 -8.461664233e-03 -2.205608444e-02 -2.912226859e-02 5.22 -8.075091727e-03 -2.111375408e-02 -2.789570599e-02 5.24 -7.706383346e-03 -2.021244968e-02 -2.672176629e-02 5.26 -7.354701050e-03 -1.935034433e-02 -2.559813992e-02 5.28 -7.019246871e-03 -1.852569466e-02 -2.452262154e-02 5.30 -6.699260958e-03 -1.773683696e-02 -2.349310522e-02 5.32 -6.394019706e-03 -1.698218338e-02 -2.250757975e-02 5.34 -6.102833991e-03 -1.626021839e-02 -2.156412423e-02 5.36 -5.825047485e-03 -1.556949535e-02 -2.066090391e-02 5.38 -5.560035064e-03 -1.490863331e-02 -1.979616618e-02 5.40 -5.307201286e-03 -1.427631389e-02 -1.896823677e-02 5.42 -5.065978956e-03 -1.367127841e-02 -1.817551612e-02 5.44 -4.835827749e-03 -1.309232509e-02 -1.741647597e-02 5.46 -4.453476331e-03 -1.253830637e-02 -1.668965606e-02 5.48 -4.253562778e-03 -1.200812643e-02 -1.599366103e-02 5.50 -4.062680349e-03 -1.150073877e-02 -1.532715741e-02 5.52 -3.880417329e-03 -1.101514393e-02 -1.468887084e-02 5.54 -3.706381012e-03 -1.055038732e-02 -1.407758334e-02 5.56 -3.540196805e-03 -1.010555715e-02 -1.349213075e-02 5.58 -3.381507383e-03 -9.679782450e-03 -1.293140029e-02 5.60 -3.229971873e-03 -9.272231187e-03 -1.239432821e-02 5.62 -3.085265091e-03 -8.882108500e-03 -1.187989761e-02 5.64 -2.947076804e-03 -8.508654975e-03 -1.138713627e-02 5.66 -2.815111036e-03 -8.151145030e-03 -1.091511465e-02 5.68 -2.689085397e-03 -7.808885366e-03 -1.046294399e-02 5.70 -2.568730456e-03 -7.481213496e-03 -1.002977444e-02 5.72 -2.453789133e-03 -7.167496337e-03 -9.614793324e-03 5.74 -2.344016127e-03 -6.867128874e-03 -9.217223487e-03 5.76 -2.239177366e-03 -6.579532882e-03 -8.836321676e-03 5.78 -2.139049491e-03 -6.304155714e-03 -8.471377037e-03 5.80 -2.043419352e-03 -5.414384358e-03 -8.121709670e-03 5.82 -1.952083538e-03 -5.191033400e-03 -7.786669240e-03 5.84 -1.864847930e-03 -4.977018030e-03 -7.465633662e-03 5.86 -1.781527262e-03 -4.771941625e-03 -7.158007849e-03 5.88 -1.701944722e-03 -4.575424746e-03 -6.863222502e-03 5.90 -1.625931554e-03 -4.387104378e-03 -6.580732977e-03 5.92 -1.553326689e-03 -4.206633202e-03 -6.310018183e-03 5.94 -1.483976389e-03 -4.033678899e-03 -6.050579544e-03 5.96 -1.417733913e-03 -3.867923492e-03 -5.801940002e-03 5.98 -2.357139095e-04 -3.709062705e-03 -5.563643069e-03 6.00 -2.242911276e-04 -3.556805370e-03 -5.335251916e-03