# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Mendelev-M-I-Sun-Y-Zhang-F-et-al--Cu-Zr # implementation = EAM_Mendelev_2019_CuZr__MO_945018740343_000 # composition = Cu3Zr # 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 8.738864731e+03 nan nan 1.26 6.955746444e+03 nan nan 1.28 5.546325986e+03 nan nan 1.30 4.429891049e+03 nan nan 1.32 3.543780775e+03 nan nan 1.34 2.839166375e+03 1.000608062e+04 nan 1.36 2.277881382e+03 8.108178660e+03 nan 1.38 1.829990808e+03 6.580735262e+03 9.803442747e+03 1.40 1.471988485e+03 5.349108314e+03 7.991220246e+03 1.42 1.185363935e+03 4.354194828e+03 6.523963360e+03 1.44 9.555337494e+02 3.549105779e+03 5.333794976e+03 1.46 7.709946408e+02 2.896520623e+03 4.366670125e+03 1.48 6.226728312e+02 2.366718144e+03 3.579463477e+03 1.50 5.033664037e+02 1.935955685e+03 2.937666019e+03 1.52 4.072949024e+02 1.585207737e+03 2.413582651e+03 1.54 3.298393150e+02 1.299198750e+03 1.984967891e+03 1.56 2.673245859e+02 1.065661486e+03 1.633934002e+03 1.58 2.168173079e+02 8.747372068e+02 1.346060976e+03 1.60 1.759654997e+02 7.184953473e+02 1.109693499e+03 1.62 1.428750734e+02 5.905104906e+02 9.153861757e+02 1.64 1.160299103e+02 4.855878119e+02 7.554723673e+02 1.66 9.422103681e+01 3.995126037e+02 6.237435572e+02 1.68 7.648303840e+01 3.288515589e+02 5.151424771e+02 1.70 6.204227398e+01 2.707938199e+02 4.255500644e+02 1.72 5.027555630e+01 2.230382406e+02 3.515980337e+02 1.74 4.067532778e+01 1.837140769e+02 2.905244639e+02 1.76 3.282797946e+01 1.513058830e+02 2.400597536e+02 1.78 2.640461772e+01 1.245805621e+02 1.983377198e+02 1.80 2.114561089e+01 1.025410018e+02 1.638442305e+02 1.82 1.683868835e+01 8.436446680e+01 1.353294712e+02 1.84 1.332043241e+01 6.939874087e+01 1.117994360e+02 1.86 1.044589354e+01 5.707553316e+01 9.238087293e+01 1.88 8.096792063e+00 4.693120146e+01 7.635373250e+01 1.90 6.174872709e+00 3.858414010e+01 6.312311221e+01 1.92 4.597012979e+00 3.170429137e+01 5.219584913e+01 1.94 3.293077962e+00 2.604593530e+01 4.316003241e+01 1.96 2.207113963e+00 2.136915949e+01 3.567019115e+01 1.98 1.270962562e+00 1.748520308e+01 2.944467675e+01 2.00 4.940405860e-01 1.424204532e+01 2.425811613e+01 2.02 -1.734641553e-01 1.151902895e+01 1.992867499e+01 2.04 -7.509102104e-01 9.221213382e+00 1.630856273e+01 2.06 -1.253107243e+00 7.274232806e+00 1.327684987e+01 2.08 -1.691024451e+00 5.620397411e+00 1.073392928e+01 2.10 -2.072534520e+00 4.215401025e+00 8.597645881e+00 2.12 -2.402754688e+00 3.024586995e+00 6.801203847e+00 2.14 -2.685994834e+00 2.019036955e+00 5.291490155e+00 2.16 -2.928067179e+00 1.173111331e+00 4.024986170e+00 2.18 -3.137599996e+00 4.632245780e-01 2.963674361e+00 2.20 -3.321864003e+00 -1.322416235e-01 2.070861686e+00 2.22 -3.485051570e+00 -6.501927897e-01 1.283875132e+00 2.24 -3.629411877e+00 -1.077857013e+00 6.180603316e-01 2.26 -3.756203977e+00 -1.446725661e+00 2.871974317e-02 2.28 -3.865946619e+00 -1.771418690e+00 -4.986794259e-01 2.30 -3.958325258e+00 -2.063609645e+00 -9.739803858e-01 2.32 -4.032891158e+00 -2.332910419e+00 -1.403049016e+00 2.34 -4.089947322e+00 -2.586696710e+00 -1.789077141e+00 2.36 -4.130764549e+00 -2.828325788e+00 -2.134115686e+00 2.38 -4.156116399e+00 -3.057930536e+00 -2.439684083e+00 2.40 -4.166430035e+00 -3.273665958e+00 -2.707016652e+00 2.42 -4.162157653e+00 -3.472737972e+00 -2.937253863e+00 2.44 -4.144062175e+00 -3.652280183e+00 -3.131999740e+00 2.46 -4.113535755e+00 -3.810012188e+00 -3.293770098e+00 2.48 -4.072546456e+00 -3.944508878e+00 -3.425943311e+00 2.50 -4.023707844e+00 -4.055233149e+00 -3.532614780e+00 2.52 -3.971244476e+00 -4.142339670e+00 -3.618221096e+00 2.54 -3.919289912e+00 -4.206673452e+00 -3.687059657e+00 2.56 -3.870712932e+00 -4.250402443e+00 -3.742885115e+00 2.58 -3.827136891e+00 -4.276356183e+00 -3.789239090e+00 2.60 -3.788264944e+00 -4.287095580e+00 -3.829982783e+00 2.62 -3.753230626e+00 -4.285067887e+00 -3.869367056e+00 2.64 -3.720985750e+00 -4.272623854e+00 -3.910659836e+00 2.66 -3.690376438e+00 -4.251937695e+00 -3.955342093e+00 2.68 -3.660078066e+00 -4.225065983e+00 -4.002893296e+00 2.70 -3.628532483e+00 -4.194172188e+00 -4.051412844e+00 2.72 -3.594206290e+00 -4.160853864e+00 -4.098296029e+00 2.74 -3.555821777e+00 -4.125787951e+00 -4.140621674e+00 2.76 -3.512555427e+00 -4.089832316e+00 -4.175496686e+00 2.78 -3.464196360e+00 -4.053633266e+00 -4.200360417e+00 2.80 -3.411098450e+00 -4.016445361e+00 -4.213475980e+00 2.82 -3.353974130e+00 -3.977471978e+00 -4.215098865e+00 2.84 -3.293568074e+00 -3.935933335e+00 -4.206016884e+00 2.86 -3.230532548e+00 -3.891143710e+00 -4.186419531e+00 2.88 -3.165592831e+00 -3.842737888e+00 -4.157225568e+00 2.90 -3.099533090e+00 -3.790767358e+00 -4.119245922e+00 2.92 -3.033144631e+00 -3.735747915e+00 -4.073483812e+00 2.94 -2.967175165e+00 -3.678250640e+00 -4.021365382e+00 2.96 -2.902282019e+00 -3.618416033e+00 -3.964569487e+00 2.98 -2.838992555e+00 -3.556255518e+00 -3.904856336e+00 3.00 -2.777675276e+00 -3.492120594e+00 -3.843793913e+00 3.02 -2.718526258e+00 -3.426843892e+00 -3.782566085e+00 3.04 -2.661579552e+00 -3.361842976e+00 -3.722018835e+00 3.06 -2.606718656e+00 -3.298920753e+00 -3.662708489e+00 3.08 -2.553682962e+00 -3.239325467e+00 -3.604924794e+00 3.10 -2.502086819e+00 -3.183585694e+00 -3.548758609e+00 3.12 -2.451454159e+00 -3.131687205e+00 -3.494139266e+00 3.14 -2.401270123e+00 -3.083242531e+00 -3.440836678e+00 3.16 -2.351051100e+00 -3.037642536e+00 -3.388474177e+00 3.18 -2.300434564e+00 -2.994151938e+00 -3.336553164e+00 3.20 -2.249290044e+00 -2.951981434e+00 -3.284487843e+00 3.22 -2.197852035e+00 -2.910354454e+00 -3.231648141e+00 3.24 -2.146794573e+00 -2.868558211e+00 -3.177418480e+00 3.26 -2.096876869e+00 -2.825980399e+00 -3.121268895e+00 3.28 -2.048671349e+00 -2.782133375e+00 -3.062835559e+00 3.30 -2.002568011e+00 -2.736667350e+00 -3.002009922e+00 3.32 -1.958759276e+00 -2.689374353e+00 -2.939035783e+00 3.34 -1.917199871e+00 -2.640184828e+00 -2.874613551e+00 3.36 -1.877681332e+00 -2.589157524e+00 -2.810004557e+00 3.38 -1.839933222e+00 -2.536464000e+00 -2.746809344e+00 3.40 -1.803653461e+00 -2.482369167e+00 -2.686184641e+00 3.42 -1.768527379e+00 -2.427209076e+00 -2.628651503e+00 3.44 -1.734240620e+00 -2.371367054e+00 -2.574291907e+00 3.46 -1.700486429e+00 -2.315247305e+00 -2.522948256e+00 3.48 -1.666968635e+00 -2.259245744e+00 -2.474315930e+00 3.50 -1.633415606e+00 -2.203744558e+00 -2.428007980e+00 3.52 -1.599601405e+00 -2.149119371e+00 -2.383587320e+00 3.54 -1.565344728e+00 -2.095719606e+00 -2.340600776e+00 3.56 -1.530501993e+00 -2.043847349e+00 -2.298608809e+00 3.58 -1.494958858e+00 -1.993740780e+00 -2.257208452e+00 3.60 -1.458627348e+00 -1.945562709e+00 -2.216050140e+00 3.62 -1.421487888e+00 -1.899394622e+00 -2.174849150e+00 3.64 -1.383613588e+00 -1.855236635e+00 -2.133392277e+00 3.66 -1.345153187e+00 -1.813013636e+00 -2.091540376e+00 3.68 -1.306312192e+00 -1.772587860e+00 -2.049227363e+00 3.70 -1.267335122e+00 -1.733780454e+00 -2.006456246e+00 3.72 -1.228488842e+00 -1.696404105e+00 -1.963292696e+00 3.74 -1.190047381e+00 -1.660280443e+00 -1.919856692e+00 3.76 -1.152278313e+00 -1.625246105e+00 -1.876312681e+00 3.78 -1.115430669e+00 -1.591155515e+00 -1.832858728e+00 3.80 -1.079724373e+00 -1.557879114e+00 -1.789715041e+00 3.82 -1.045341217e+00 -1.525297514e+00 -1.747112330e+00 3.84 -1.012417581e+00 -1.493314119e+00 -1.705280802e+00 3.86 -9.810386656e-01 -1.461876809e+00 -1.664439806e+00 3.88 -9.512338164e-01 -1.430981325e+00 -1.624787787e+00 3.90 -9.229729696e-01 -1.400667417e+00 -1.586493089e+00 3.92 -8.961640592e-01 -1.371007909e+00 -1.549685856e+00 3.94 -8.706562561e-01 -1.342089066e+00 -1.514451185e+00 3.96 -8.462870200e-01 -1.313980676e+00 -1.480823675e+00 3.98 -8.229207926e-01 -1.286694622e+00 -1.448783302e+00 4.00 -8.004462743e-01 -1.260161295e+00 -1.418251102e+00 4.02 -7.787726098e-01 -1.234273889e+00 -1.389088875e+00 4.04 -7.578271387e-01 -1.208925379e+00 -1.361129441e+00 4.06 -7.375541967e-01 -1.184025959e+00 -1.334205535e+00 4.08 -7.179144606e-01 -1.159500485e+00 -1.308150506e+00 4.10 -6.988843100e-01 -1.135284220e+00 -1.282797879e+00 4.12 -6.804546497e-01 -1.111318787e+00 -1.257982576e+00 4.14 -6.626286194e-01 -1.087548276e+00 -1.233543562e+00 4.16 -6.454175874e-01 -1.063915477e+00 -1.209327712e+00 4.18 -6.288348062e-01 -1.040361179e+00 -1.185194607e+00 4.20 -6.128860807e-01 -1.016841621e+00 -1.161021985e+00 4.22 -5.975567837e-01 -9.933385246e-01 -1.136711494e+00 4.24 -5.827993798e-01 -9.698546157e-01 -1.112194404e+00 4.26 -5.685465268e-01 -9.464089869e-01 -1.087437023e+00 4.28 -5.547260312e-01 -9.230331221e-01 -1.062447096e+00 4.30 -5.412635501e-01 -8.997675222e-01 -1.037276621e+00 4.32 -5.280846246e-01 -8.766588653e-01 -1.012016748e+00 4.34 -5.151166743e-01 -8.537576435e-01 -9.867879549e-01 4.36 -5.022908917e-01 -8.311162185e-01 -9.617252422e-01 4.38 -4.895439884e-01 -8.087872451e-01 -9.369575229e-01 4.40 -4.768197504e-01 -7.868224135e-01 -9.125807847e-01 4.42 -4.640704726e-01 -7.652714186e-01 -8.886470851e-01 4.44 -4.512583289e-01 -7.441806698e-01 -8.651948870e-01 4.46 -4.383563271e-01 -7.235921083e-01 -8.422585677e-01 4.48 -4.253488902e-01 -7.035425975e-01 -8.198681123e-01 4.50 -4.122321063e-01 -6.840634715e-01 -7.980488812e-01 4.52 -3.990136326e-01 -6.651801580e-01 -7.768214344e-01 4.54 -3.857121889e-01 -6.469117562e-01 -7.562012779e-01 4.56 -3.723567022e-01 -6.292706326e-01 -7.361986124e-01 4.58 -3.589851863e-01 -6.122621277e-01 -7.168181950e-01 4.60 -3.456433261e-01 -5.958842778e-01 -6.980591928e-01 4.62 -3.323827869e-01 -5.801275302e-01 -6.799149968e-01 4.64 -3.192592850e-01 -5.649744481e-01 -6.623729773e-01 4.66 -3.063304584e-01 -5.503993998e-01 -6.454141609e-01 4.68 -2.936535896e-01 -5.363682939e-01 -6.290128115e-01 4.70 -2.812832331e-01 -5.228385663e-01 -6.131358972e-01 4.72 -2.692688132e-01 -5.097590975e-01 -5.977424263e-01 4.74 -2.576522593e-01 -4.970699941e-01 -5.827826350e-01 4.76 -2.464657582e-01 -4.847023562e-01 -5.681970121e-01 4.78 -2.357297056e-01 -4.725780429e-01 -5.539151435e-01 4.80 -2.254509502e-01 -4.606094517e-01 -5.398543630e-01 4.82 -2.156219081e-01 -4.487006078e-01 -5.259201201e-01 4.84 -2.062249001e-01 -4.367609042e-01 -5.120250291e-01 4.86 -1.972367820e-01 -4.247180642e-01 -4.981064152e-01 4.88 -1.886294390e-01 -4.125182247e-01 -4.841241524e-01 4.90 -1.803708246e-01 -4.001253002e-01 -4.700569792e-01 4.92 -1.724267829e-01 -3.875209573e-01 -4.558992304e-01 4.94 -1.647602588e-01 -3.747052183e-01 -4.416579483e-01 4.96 -1.573295666e-01 -3.616977144e-01 -4.273503400e-01 4.98 -1.500890992e-01 -3.485396149e-01 -4.130015475e-01 5.00 -1.429907749e-01 -3.352962613e-01 -3.986427009e-01 5.02 -1.359860583e-01 -3.220605392e-01 -3.843092255e-01 5.04 -1.290285949e-01 -3.089554492e-01 -3.700393760e-01 5.06 -1.220774992e-01 -2.961115737e-01 -3.558729730e-01 5.08 -1.151013404e-01 -2.836337357e-01 -3.418503175e-01 5.10 -1.080828703e-01 -2.715994493e-01 -3.280112636e-01 5.12 -1.010245414e-01 -2.600623474e-01 -3.143944274e-01 5.14 -9.395486311e-02 -2.490555084e-01 -3.010365169e-01 5.16 -8.693565003e-02 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-5.256440811e-02 -1.166699190e-01 -1.190509467e-01 5.54 -5.387082599e-02 -1.112989103e-01 -1.128151963e-01 5.56 -5.503932350e-02 -1.058601741e-01 -1.067221715e-01 5.58 -5.601574504e-02 -1.003352566e-01 -1.007329154e-01 5.60 -5.675378332e-02 -9.471001454e-02 -9.481003959e-02 5.62 -5.721533093e-02 -8.897520847e-02 -8.891916500e-02 5.64 -5.737064154e-02 -8.312722827e-02 -8.303059889e-02 5.66 -5.719832012e-02 -7.716897834e-02 -7.712127402e-02 5.68 -5.668516067e-02 -7.111094721e-02 -7.117697891e-02 5.70 -5.582585000e-02 -6.497248816e-02 -6.519490880e-02 5.72 -5.462255533e-02 -5.878333810e-02 -5.918656944e-02 5.74 -5.308441334e-02 -5.258540259e-02 -5.318106688e-02 5.76 -5.122693760e-02 -4.643483536e-02 -4.722881867e-02 5.78 -4.907136115e-02 -4.040444177e-02 -4.140572316e-02 5.80 -4.664393043e-02 -3.458643613e-02 -3.581782569e-02 5.82 -4.397516642e-02 -2.909334383e-02 -3.060316262e-02 5.84 -4.109910833e-02 -2.403673584e-02 -2.590030914e-02 5.86 -3.805255489e-02 -1.950549844e-02 -2.181618118e-02 5.88 -3.487431787e-02 -1.556607581e-02 -1.842674406e-02 5.90 -3.160450180e-02 -1.226482542e-02 -1.578083491e-02 5.92 -2.828382388e-02 -9.630288430e-03 -1.390379960e-02 5.94 -2.495298719e-02 -7.675398299e-03 -1.280097764e-02 5.96 -2.165212023e-02 -6.399651228e-03 -1.246106926e-02 5.98 -1.842029527e-02 -5.791261893e-03 -1.285941961e-02 6.00 -1.529513752e-02 -5.829328145e-03 -1.396125593e-02