# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Schopf-D-Brommer-P-Frigan-B-Trebin-H-R--Al-Mn-Pd # implementation = EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003 # composition = Mn3Pd # 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 1.366312533e+02 nan nan 1.18 1.279576835e+02 nan nan 1.20 1.199432660e+02 nan nan 1.22 1.125313024e+02 nan nan 1.24 1.056576567e+02 nan nan 1.26 9.925999694e+01 1.383366704e+02 nan 1.28 9.328271723e+01 1.302594073e+02 nan 1.30 8.768859590e+01 1.227716637e+02 1.420257854e+02 1.32 8.246213375e+01 1.157930619e+02 1.333611549e+02 1.34 7.759494372e+01 1.092819997e+02 1.253806144e+02 1.36 7.305428526e+01 1.031963266e+02 1.180091272e+02 1.38 6.879522651e+01 9.748527784e+01 1.111723761e+02 1.40 6.478597435e+01 9.212192797e+01 1.048121423e+02 1.42 6.100450688e+01 8.709087970e+01 9.888008936e+01 1.44 5.743425245e+01 8.235789389e+01 9.333340999e+01 1.46 5.406307407e+01 7.788274864e+01 8.814166061e+01 1.48 5.087792281e+01 7.364579454e+01 8.327671464e+01 1.50 4.786890362e+01 6.964848856e+01 7.870875581e+01 1.52 4.503384394e+01 6.588840214e+01 7.442030303e+01 1.54 4.236759436e+01 6.234154364e+01 7.040233330e+01 1.56 3.985485539e+01 5.897729550e+01 6.663364176e+01 1.58 3.748209732e+01 5.578007053e+01 6.308306346e+01 1.60 3.524649641e+01 5.275238704e+01 5.972941483e+01 1.62 3.274936715e+01 4.989985134e+01 5.656439796e+01 1.64 2.910065461e+01 4.721436714e+01 5.357809767e+01 1.66 2.575813623e+01 4.467459834e+01 5.075195314e+01 1.68 2.268710733e+01 4.225969944e+01 4.806854210e+01 1.70 1.987192103e+01 3.995825364e+01 4.552017419e+01 1.72 1.730174535e+01 3.776832822e+01 4.310647000e+01 1.74 1.493755129e+01 3.569293102e+01 4.082376196e+01 1.76 1.277208916e+01 3.321012490e+01 3.865961380e+01 1.78 1.079197308e+01 3.039492151e+01 3.659895143e+01 1.80 8.985417551e+00 2.736665220e+01 3.463265379e+01 1.82 7.348168570e+00 2.443803531e+01 3.190112592e+01 1.84 5.875380848e+00 2.171112706e+01 2.860564375e+01 1.86 4.555089371e+00 1.916771866e+01 2.560286286e+01 1.88 3.369416437e+00 1.679805253e+01 2.287124502e+01 1.90 2.300841325e+00 1.458009507e+01 2.037412878e+01 1.92 1.336238615e+00 1.254104135e+01 1.807547618e+01 1.94 4.673652429e-01 1.069194999e+01 1.594941014e+01 1.96 -3.105154548e-01 9.028849656e+00 1.395762585e+01 1.98 -1.001195532e+00 7.535505670e+00 1.211777530e+01 2.00 -1.610847311e+00 6.188931592e+00 1.042780334e+01 2.02 -2.149661268e+00 4.967703145e+00 8.880196436e+00 2.04 -2.629510156e+00 3.855864345e+00 7.464413140e+00 2.06 -3.060410751e+00 2.842040536e+00 6.167354237e+00 2.08 -3.449187292e+00 1.917294012e+00 4.975974659e+00 2.10 -3.800096796e+00 1.073674722e+00 3.879053086e+00 2.12 -4.115878827e+00 3.040065015e-01 2.867522535e+00 2.14 -4.398393277e+00 -3.979440003e-01 1.934333764e+00 2.16 -4.648719363e+00 -1.037189977e+00 1.074389564e+00 2.18 -4.867479884e+00 -1.617322846e+00 2.846896722e-01 2.20 -5.055388776e+00 -2.140852697e+00 -4.361840093e-01 2.22 -5.213585353e+00 -2.610405437e+00 -1.089712570e+00 2.24 -5.343452856e+00 -3.030089161e+00 -1.679420680e+00 2.26 -5.446200123e+00 -3.405665938e+00 -2.211363427e+00 2.28 -5.522673349e+00 -3.743317068e+00 -2.692652550e+00 2.30 -5.573497461e+00 -4.048339967e+00 -3.129611296e+00 2.32 -5.599358327e+00 -4.324767026e+00 -3.526974643e+00 2.34 -5.601191548e+00 -4.575644643e+00 -3.888061409e+00 2.36 -5.580065902e+00 -4.803307232e+00 -4.215256968e+00 2.38 -5.536785412e+00 -5.009391537e+00 -4.510426521e+00 2.40 -5.471546181e+00 -5.194670200e+00 -4.774947251e+00 2.42 -5.383970635e+00 -5.359121239e+00 -5.009612405e+00 2.44 -5.273571075e+00 -5.502233705e+00 -5.214555299e+00 2.46 -5.140450207e+00 -5.623278095e+00 -5.389234021e+00 2.48 -4.985872946e+00 -5.721407972e+00 -5.532646679e+00 2.50 -4.812261806e+00 -5.795615788e+00 -5.643969946e+00 2.52 -4.622508802e+00 -5.844619049e+00 -5.723484993e+00 2.54 -4.419187322e+00 -5.866900506e+00 -5.773175626e+00 2.56 -4.204172452e+00 -5.860978763e+00 -5.796397738e+00 2.58 -3.978687694e+00 -5.825830030e+00 -5.796841356e+00 2.60 -3.743536245e+00 -5.761248407e+00 -5.777606969e+00 2.62 -3.499305741e+00 -5.667938073e+00 -5.740881320e+00 2.64 -3.246466668e+00 -5.547366186e+00 -5.688096079e+00 2.66 -2.985385921e+00 -5.401526312e+00 -5.620252139e+00 2.68 -2.716308547e+00 -5.232654594e+00 -5.538220709e+00 2.70 -2.439308977e+00 -5.042918071e+00 -5.442904423e+00 2.72 -2.154182273e+00 -4.834192703e+00 -5.335199777e+00 2.74 -1.860203126e+00 -4.608024799e+00 -5.215877975e+00 2.76 -1.555536331e+00 -4.365729341e+00 -5.085481068e+00 2.78 -1.235408781e+00 -4.108498170e+00 -4.944309306e+00 2.80 -8.816930581e-01 -3.837476590e+00 -4.792495848e+00 2.82 -6.384891426e-01 -3.553792498e+00 -4.630102908e+00 2.84 -4.862317794e-01 -3.258529537e+00 -4.457185863e+00 2.86 -3.393709138e-01 -2.952619654e+00 -4.273817360e+00 2.88 -2.017447461e-01 -2.636569462e+00 -4.080090560e+00 2.90 -1.109565063e-01 -2.309861471e+00 -3.876117905e+00 2.92 -1.657151986e-01 -1.969602280e+00 -3.662083008e+00 2.94 -2.134368554e-01 -1.606260608e+00 -3.438354132e+00 2.96 -2.549611326e-01 -1.159127315e+00 -3.205600870e+00 2.98 -2.914019013e-01 -1.042318592e+00 -2.964833956e+00 3.00 -3.238269953e-01 -9.351162803e-01 -2.717301455e+00 3.02 -3.530671560e-01 -8.326515915e-01 -2.464261824e+00 3.04 -3.796700643e-01 -7.353136139e-01 -2.206740370e+00 3.06 -4.039412230e-01 -6.433950457e-01 -1.945361050e+00 3.08 -4.260228246e-01 -5.571138734e-01 -1.680244431e+00 3.10 -4.460024476e-01 -4.766456698e-01 -1.410862162e+00 3.12 -4.639592783e-01 -4.021772243e-01 -1.135637781e+00 3.14 -4.799670477e-01 -3.340223301e-01 -8.507365624e-01 3.16 -4.940955013e-01 -2.730275620e-01 -5.451723656e-01 3.18 -5.064121263e-01 -2.429900082e-01 -2.327800907e-01 3.20 -5.169836397e-01 -2.465567481e-01 -1.427957141e-01 3.22 -5.258773886e-01 -2.518091841e-01 -6.254346522e-02 3.24 -5.331627517e-01 -2.883024243e-01 4.906838419e-03 3.26 -5.389124109e-01 -3.349716465e-01 -1.545377465e-02 3.28 -5.432032322e-01 -3.791486401e-01 -6.102330073e-02 3.30 -5.461164394e-01 -4.207464985e-01 -1.041730505e-01 3.32 -5.477369247e-01 -4.596735757e-01 -1.450033241e-01 3.34 -5.481519234e-01 -4.958687831e-01 -1.836089692e-01 3.36 -5.474496646e-01 -5.293060991e-01 -2.200773054e-01 3.38 -5.457186145e-01 -5.599519247e-01 -2.544876050e-01 3.40 -5.430474864e-01 -5.876928196e-01 -2.869125432e-01 3.42 -5.395256437e-01 -6.122808475e-01 -3.174210058e-01 3.44 -5.352432446e-01 -6.333453987e-01 -3.460812406e-01 3.46 -5.302904974e-01 -6.504894424e-01 -3.729635577e-01 3.48 -5.343676672e-01 -6.634385923e-01 -3.981422782e-01 3.50 -6.042016119e-01 -6.721716267e-01 -4.216969615e-01 3.52 -6.760385003e-01 -6.769645608e-01 -4.437130419e-01 3.54 -7.468793862e-01 -6.783360825e-01 -4.642821208e-01 3.56 -8.156177574e-01 -6.769238991e-01 -4.835019597e-01 3.58 -8.815942418e-01 -6.733514913e-01 -5.014757391e-01 3.60 -9.443584745e-01 -6.681394511e-01 -5.183101184e-01 3.62 -1.003597022e+00 -6.616708161e-01 -5.341114999e-01 3.64 -1.059108780e+00 -6.541957848e-01 -5.489796983e-01 3.66 -1.110794527e+00 -6.458560415e-01 -5.629980611e-01 3.68 -1.158644729e+00 -6.367185842e-01 -5.762191678e-01 3.70 -1.202717388e+00 -6.268252675e-01 -5.886458107e-01 3.72 -1.243106252e+00 -6.162157857e-01 -6.002085082e-01 3.74 -1.389294288e+00 -6.049289322e-01 -6.107436692e-01 3.76 -1.509343016e+00 -5.930028670e-01 -6.199805388e-01 3.78 -1.612909035e+00 -5.804753195e-01 -6.275486029e-01 3.80 -1.705037919e+00 -5.673837281e-01 -6.330166312e-01 3.82 -1.788135340e+00 -5.962610162e-01 -6.359659554e-01 3.84 -1.863646327e+00 -6.283418870e-01 -6.360837622e-01 3.86 -1.932492720e+00 -6.609779043e-01 -6.332454490e-01 3.88 -1.995239393e+00 -6.934678676e-01 -6.275522997e-01 3.90 -2.052194794e+00 -7.253933228e-01 -6.193085938e-01 3.92 -2.103497947e+00 -7.564549383e-01 -6.089504493e-01 3.94 -2.149197853e+00 -8.485074685e-01 -5.969576156e-01 3.96 -2.189318449e+00 -9.616713970e-01 -5.837785967e-01 3.98 -2.223900512e+00 -1.057448695e+00 -5.697848469e-01 4.00 -2.253021611e+00 -1.142707659e+00 -5.552541435e-01 4.02 -2.276800375e+00 -1.220217060e+00 -5.403745415e-01 4.04 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-1.124959971e+00 5.46 -1.538856052e-01 -7.528353540e-01 -1.072469697e+00 5.48 -1.426371325e-01 -7.167238937e-01 -1.020579109e+00 5.50 -1.321469747e-01 -6.812495009e-01 -9.693966836e-01 5.52 -1.223884889e-01 -6.464467800e-01 -9.190261517e-01 5.54 -1.133334330e-01 -6.123483360e-01 -8.695660733e-01 5.56 -1.049503632e-01 -5.789848827e-01 -8.211094508e-01 5.58 -9.720813534e-02 -5.463854399e-01 -7.737433693e-01 5.60 -9.007289221e-02 -5.145777164e-01 -7.275486720e-01 5.62 -8.350842666e-02 -4.835886342e-01 -6.825996727e-01 5.64 -7.747725342e-02 -4.534449466e-01 -6.389639199e-01 5.66 -7.194197420e-02 -4.241739588e-01 -5.967020009e-01 5.68 -6.686143304e-02 -3.958039745e-01 -5.558673899e-01 5.70 -6.218593332e-02 -3.683646910e-01 -5.165063474e-01 5.72 -5.789203305e-02 -3.418869360e-01 -4.786578795e-01 5.74 -5.390653688e-02 -3.164020666e-01 -4.423537514e-01 5.76 -5.020927894e-02 -2.919406734e-01 -4.076185053e-01 5.78 -4.678169596e-02 -2.685310339e-01 -3.744696191e-01 5.80 -4.347861897e-02 -2.461973270e-01 -3.429176060e-01 5.82 -4.029998521e-02 -2.249580397e-01 -3.129662297e-01 5.84 -3.728623145e-02 -2.048249451e-01 -2.846127713e-01 5.86 -3.442199853e-02 -1.858022650e-01 -2.578482610e-01 5.88 -3.169197986e-02 -1.678869793e-01 -2.326578050e-01 5.90 -2.908436280e-02 -1.510690915e-01 -2.090209596e-01 5.92 -2.659212806e-02 -1.353325451e-01 -1.869120292e-01 5.94 -2.421371569e-02 -1.206562581e-01 -1.663005313e-01 5.96 -2.195169426e-02 -1.070149591e-01 -1.471515603e-01 5.98 -1.981203995e-02 -9.438011648e-02 -1.294261462e-01 6.00 -1.780111312e-02 -8.272067193e-02 -1.130818046e-01