# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2005--Mendelev-M-I-Srolovitz-D-J-Ackland-G-J-Han-S--Al-Fe # implementation = EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005 # composition = AlFe3 # 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 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 nan nan nan 1.14 nan nan nan 1.16 nan nan nan 1.18 nan nan nan 1.20 nan nan nan 1.22 nan nan nan 1.24 nan nan nan 1.26 nan nan nan 1.28 4.703377917e+02 nan nan 1.30 3.790052930e+02 nan nan 1.32 3.061332891e+02 nan nan 1.34 2.478822359e+02 nan nan 1.36 2.012193431e+02 nan nan 1.38 1.637467995e+02 nan nan 1.40 1.335842094e+02 4.502500130e+02 nan 1.42 1.092459060e+02 3.694795361e+02 nan 1.44 8.955950353e+01 3.039378632e+02 4.558033654e+02 1.46 7.359216354e+01 2.505720465e+02 3.749887679e+02 1.48 6.059833556e+01 2.069651255e+02 3.092090119e+02 1.50 4.998529520e+01 1.712351969e+02 2.555588521e+02 1.52 4.128737727e+01 1.419176936e+02 2.117120703e+02 1.54 3.413477297e+01 1.178312398e+02 1.757985297e+02 1.56 2.823314180e+01 9.801291960e+01 1.463116940e+02 1.58 2.334913684e+01 8.167773724e+01 1.220362432e+02 1.60 1.929558412e+01 6.818403691e+01 1.019883045e+02 1.62 1.592136658e+01 5.700900349e+01 8.538403625e+01 1.64 1.310251027e+01 4.772867923e+01 7.159519162e+01 1.66 1.073785387e+01 4.000061560e+01 6.011300516e+01 1.68 8.744782576e+00 3.354674432e+01 5.052567327e+01 1.70 7.042436269e+00 2.814025857e+01 4.249816544e+01 1.72 5.576990960e+00 2.359502779e+01 3.575908894e+01 1.74 4.309944609e+00 1.975779500e+01 3.009080032e+01 1.76 3.209862748e+00 1.650590934e+01 2.531476413e+01 1.78 2.251315596e+00 1.374000222e+01 2.128199431e+01 1.80 1.416354361e+00 1.137316894e+01 1.786854894e+01 1.82 6.902833946e-01 9.339584319e+00 1.497093151e+01 1.84 5.713055708e-02 7.589102643e+00 1.250290541e+01 1.86 -4.970817242e-01 6.080959268e+00 1.039261889e+01 1.88 -9.845353703e-01 4.780379587e+00 8.580028756e+00 1.90 -1.415352017e+00 3.658163630e+00 7.014942743e+00 1.92 -1.795607835e+00 2.689713875e+00 5.656482301e+00 1.94 -2.129959786e+00 1.852408405e+00 4.472650796e+00 1.96 -2.422250770e+00 1.126104009e+00 3.437775576e+00 1.98 -2.675834994e+00 4.928046402e-01 2.530394703e+00 2.00 -2.894959287e+00 -6.297019218e-02 1.732583783e+00 2.02 -3.083498883e+00 -5.540151965e-01 1.029545194e+00 2.04 -3.244863231e+00 -9.902527011e-01 4.090062810e-01 2.06 -3.382501079e+00 -1.379862431e+00 -1.410221624e-01 2.08 -3.501888305e+00 -1.734902924e+00 -6.386758429e-01 2.10 -3.605425208e+00 -2.058844242e+00 -1.088952031e+00 2.12 -3.694778313e+00 -2.353203152e+00 -1.493775746e+00 2.14 -3.771293537e+00 -2.618937810e+00 -1.854272303e+00 2.16 -3.835509351e+00 -2.856652143e+00 -2.171873710e+00 2.18 -3.887659573e+00 -3.066738426e+00 -2.448692196e+00 2.20 -3.927980865e+00 -3.249603059e+00 -2.686627465e+00 2.22 -3.956911744e+00 -3.406396270e+00 -2.888674929e+00 2.24 -3.975699818e+00 -3.539783751e+00 -3.060322889e+00 2.26 -3.985795127e+00 -3.652301746e+00 -3.206682639e+00 2.28 -3.988357344e+00 -3.746235037e+00 -3.332471056e+00 2.30 -3.984317681e+00 -3.824061915e+00 -3.442071347e+00 2.32 -3.974227039e+00 -3.888143723e+00 -3.539233883e+00 2.34 -3.958059437e+00 -3.939709681e+00 -3.625945017e+00 2.36 -3.935683029e+00 -3.979699126e+00 -3.703263053e+00 2.38 -3.907005408e+00 -4.009070325e+00 -3.771624998e+00 2.40 -3.871992474e+00 -4.028735520e+00 -3.831412409e+00 2.42 -3.830668923e+00 -4.039512910e+00 -3.883028649e+00 2.44 -3.783117424e+00 -4.042162887e+00 -3.926900103e+00 2.46 -3.729446516e+00 -4.037330237e+00 -3.963204876e+00 2.48 -3.670073033e+00 -4.025583651e+00 -3.991984092e+00 2.50 -3.605703757e+00 -4.007483746e+00 -4.013270720e+00 2.52 -3.537077642e+00 -3.983598443e+00 -4.027167529e+00 2.54 -3.465041302e+00 -3.954624872e+00 -4.034040457e+00 2.56 -3.390515672e+00 -3.921272212e+00 -4.034348228e+00 2.58 -3.314419910e+00 -3.884221861e+00 -4.028587773e+00 2.60 -3.237661037e+00 -3.844046400e+00 -4.017295185e+00 2.62 -3.161101533e+00 -3.801178278e+00 -4.000941067e+00 2.64 -3.085475155e+00 -3.755928150e+00 -3.979703480e+00 2.66 -3.011453943e+00 -3.708559236e+00 -3.953869548e+00 2.68 -2.939666219e+00 -3.659326352e+00 -3.923752350e+00 2.70 -2.870684606e+00 -3.608478078e+00 -3.889667667e+00 2.72 -2.804788247e+00 -3.556270138e+00 -3.851950323e+00 2.74 -2.741799540e+00 -3.503004485e+00 -3.811028818e+00 2.76 -2.681487336e+00 -3.448993988e+00 -3.767373493e+00 2.78 -2.623630695e+00 -3.394551836e+00 -3.721414121e+00 2.80 -2.568030108e+00 -3.339988196e+00 -3.673523309e+00 2.82 -2.514484043e+00 -3.285568851e+00 -3.624014442e+00 2.84 -2.462774741e+00 -3.231461563e+00 -3.573093273e+00 2.86 -2.412699113e+00 -3.177786154e+00 -3.520914399e+00 2.88 -2.364087457e+00 -3.124574052e+00 -3.467599432e+00 2.90 -2.316783529e+00 -3.071662105e+00 -3.413236495e+00 2.92 -2.270613131e+00 -3.018886599e+00 -3.357880486e+00 2.94 -2.225383019e+00 -2.966103622e+00 -3.301554086e+00 2.96 -2.180884125e+00 -2.913196590e+00 -3.244249458e+00 2.98 -2.136894517e+00 -2.860057356e+00 -3.185929367e+00 3.00 -2.093182151e+00 -2.806562238e+00 -3.126504043e+00 3.02 -2.049521302e+00 -2.752612578e+00 -3.065893040e+00 3.04 -2.005775146e+00 -2.698251252e+00 -3.004223705e+00 3.06 -1.961997719e+00 -2.643555472e+00 -2.941670294e+00 3.08 -1.918294087e+00 -2.588602704e+00 -2.878404372e+00 3.10 -1.874769130e+00 -2.533472545e+00 -2.814602609e+00 3.12 -1.831528525e+00 -2.478247864e+00 -2.750450088e+00 3.14 -1.788679310e+00 -2.423020213e+00 -2.686145096e+00 3.16 -1.746329924e+00 -2.367896285e+00 -2.621904365e+00 3.18 -1.704589649e+00 -2.312999665e+00 -2.557967934e+00 3.20 -1.663567385e+00 -2.258471176e+00 -2.494603332e+00 3.22 -1.623369565e+00 -2.204475916e+00 -2.432106691e+00 3.24 -1.584097061e+00 -2.151247504e+00 -2.370781089e+00 3.26 -1.545841446e+00 -2.099031481e+00 -2.310910781e+00 3.28 -1.508683045e+00 -2.048060875e+00 -2.252758067e+00 3.30 -1.472696122e+00 -1.998564967e+00 -2.196576858e+00 3.32 -1.437934730e+00 -1.950726430e+00 -2.142556141e+00 3.34 -1.404384107e+00 -1.904553630e+00 -2.090633123e+00 3.36 -1.372007486e+00 -1.860008008e+00 -2.040697404e+00 3.38 -1.340760763e+00 -1.817046431e+00 -1.992651488e+00 3.40 -1.310590898e+00 -1.775621002e+00 -1.946409974e+00 3.42 -1.281433959e+00 -1.735678909e+00 -1.901901272e+00 3.44 -1.253213130e+00 -1.697162298e+00 -1.859058360e+00 3.46 -1.225845922e+00 -1.660008171e+00 -1.817813255e+00 3.48 -1.199252971e+00 -1.624148284e+00 -1.778096813e+00 3.50 -1.173358024e+00 -1.589509155e+00 -1.739838147e+00 3.52 -1.148088704e+00 -1.556012176e+00 -1.702963401e+00 3.54 -1.123377097e+00 -1.523573799e+00 -1.667393882e+00 3.56 -1.099160232e+00 -1.492105777e+00 -1.633043460e+00 3.58 -1.075380438e+00 -1.461515489e+00 -1.599815265e+00 3.60 -1.051985539e+00 -1.431706315e+00 -1.567598492e+00 3.62 -1.028928867e+00 -1.402578064e+00 -1.536273657e+00 3.64 -1.006169006e+00 -1.374027425e+00 -1.505720119e+00 3.66 -9.836693002e-01 -1.345949385e+00 -1.475817026e+00 3.68 -9.613969976e-01 -1.318240868e+00 -1.446443486e+00 3.70 -9.393220810e-01 -1.290801378e+00 -1.417478664e+00 3.72 -9.174217598e-01 -1.263549846e+00 -1.388826421e+00 3.74 -8.956968703e-01 -1.236474477e+00 -1.360489137e+00 3.76 -8.741507940e-01 -1.209584000e+00 -1.332493749e+00 3.78 -8.527816864e-01 -1.182891629e+00 -1.304867414e+00 3.80 -8.315863836e-01 -1.156415296e+00 -1.277637144e+00 3.82 -8.105626619e-01 -1.130177681e+00 -1.250829136e+00 3.84 -7.897091407e-01 -1.104206022e+00 -1.224468441e+00 3.86 -7.690287367e-01 -1.078531637e+00 -1.198578586e+00 3.88 -7.485349263e-01 -1.053189130e+00 -1.173181170e+00 3.90 -7.282432342e-01 -1.028215252e+00 -1.148295442e+00 3.92 -7.081692644e-01 -1.003647269e+00 -1.123937867e+00 3.94 -6.883282391e-01 -9.795209476e-01 -1.100121683e+00 3.96 -6.687350297e-01 -9.558679570e-01 -1.076856472e+00 3.98 -6.494040570e-01 -9.327126895e-01 -1.054147746e+00 4.00 -6.303480594e-01 -9.100689674e-01 -1.031996553e+00 4.02 -6.115795142e-01 -8.879419935e-01 -1.010399099e+00 4.04 -5.931080448e-01 -8.663324835e-01 -9.893464512e-01 4.06 -5.749429506e-01 -8.452365109e-01 -9.688243074e-01 4.08 -5.570893051e-01 -8.246453612e-01 -9.488128162e-01 4.10 -5.395523006e-01 -8.045469873e-01 -9.292864455e-01 4.12 -5.223310559e-01 -7.849265568e-01 -9.102138975e-01 4.14 -5.054241819e-01 -7.657618494e-01 -8.915580563e-01 4.16 -4.888264300e-01 -7.470239652e-01 -8.732759698e-01 4.18 -4.725250247e-01 -7.286743024e-01 -8.553188141e-01 4.20 -4.565081842e-01 -7.106681897e-01 -8.376316807e-01 4.22 -4.407628927e-01 -6.929586505e-01 -8.201618634e-01 4.24 -4.252872246e-01 -6.755338436e-01 -8.028864243e-01 4.26 -4.100932812e-01 -6.583943931e-01 -7.857914020e-01 4.28 -3.951950902e-01 -6.415352444e-01 -7.688645159e-01 4.30 -3.805882061e-01 -6.249519353e-01 -7.520949021e-01 4.32 -3.662763495e-01 -6.086485885e-01 -7.354735151e-01 4.34 -3.522774860e-01 -5.926281799e-01 -7.189930424e-01 4.36 -3.386098068e-01 -5.768179679e-01 -7.026479578e-01 4.38 -3.252092088e-01 -5.612447359e-01 -6.864346911e-01 4.40 -3.119556796e-01 -5.459852575e-01 -6.703513956e-01 4.42 -2.990244579e-01 -5.310929692e-01 -6.543981131e-01 4.44 -2.865615251e-01 -5.166048010e-01 -6.385766397e-01 4.46 -2.746732364e-01 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-8.928438527e-02 -2.737552402e-01 -3.687999057e-01 4.84 -8.077839369e-02 -2.637042926e-01 -3.564747082e-01 4.86 -7.249485088e-02 -2.539942903e-01 -3.443810262e-01 4.88 -6.443378258e-02 -2.446169533e-01 -3.325329775e-01 4.90 -5.668033999e-02 -2.354896351e-01 -3.208312429e-01 4.92 -4.939029068e-02 -2.265676380e-01 -3.092350711e-01 4.94 -4.265958805e-02 -2.179265865e-01 -2.978804364e-01 4.96 -3.653734694e-02 -2.096232683e-01 -2.868734362e-01 4.98 -3.103861281e-02 -2.016956461e-01 -2.762948888e-01 5.00 -2.615430874e-02 -1.941722181e-01 -2.662029344e-01 5.02 -2.185890179e-02 -1.871040691e-01 -2.566892886e-01 5.04 -1.811620328e-02 -1.805260148e-01 -2.478293010e-01 5.06 -1.488373834e-02 -1.742288973e-01 -2.393199070e-01 5.08 -1.211592136e-02 -1.680403944e-01 -2.309065340e-01 5.10 -9.766367588e-03 -1.618297186e-01 -2.224083436e-01 5.12 -7.789469998e-03 -1.554440854e-01 -2.137101836e-01 5.14 -6.141487176e-03 -1.488839208e-01 -2.047420302e-01 5.16 -4.781220181e-03 -1.421881155e-01 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-2.903218804e-02 -4.344450291e-02 5.54 2.970097721e-11 -2.519932517e-02 -3.787808737e-02 5.56 0.000000000e+00 -2.175452024e-02 -3.280842955e-02 5.58 0.000000000e+00 -1.867688592e-02 -2.823344468e-02 5.60 0.000000000e+00 -1.594304804e-02 -2.413898685e-02 5.62 0.000000000e+00 -1.352826655e-02 -2.050257220e-02 5.64 0.000000000e+00 -1.140728497e-02 -1.729626113e-02 5.66 0.000000000e+00 -9.554962774e-03 -1.448886029e-02 5.68 0.000000000e+00 -7.946739854e-03 -1.204758554e-02 5.70 0.000000000e+00 -6.558976696e-03 -9.939307598e-03 5.72 0.000000000e+00 -5.369160122e-03 -8.131411835e-03 5.74 0.000000000e+00 -4.356063547e-03 -6.592445404e-03 5.76 0.000000000e+00 -3.499820588e-03 -5.292521135e-03 5.78 0.000000000e+00 -2.781954910e-03 -4.203569027e-03 5.80 0.000000000e+00 -2.185397197e-03 -3.299502995e-03 5.82 0.000000000e+00 -1.694453280e-03 -2.556265117e-03 5.84 0.000000000e+00 -1.294772515e-03 -1.951834875e-03 5.86 0.000000000e+00 -9.733015555e-04 -1.466191193e-03 5.88 0.000000000e+00 -7.182409336e-04 -1.081261393e-03 5.90 0.000000000e+00 -5.189744253e-04 -7.808178929e-04 5.92 0.000000000e+00 -3.660292285e-04 -5.504143422e-04 5.94 0.000000000e+00 -2.510127248e-04 -3.772827323e-04 5.96 0.000000000e+00 -1.665569115e-04 -2.502404519e-04 5.98 0.000000000e+00 -1.062637399e-04 -1.595985505e-04 6.00 0.000000000e+00 -6.464869220e-05 -9.706806479e-05