# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Al2MgPd # 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 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 1.827075154e+02 1.827075154e+02 1.30 1.696489180e+02 1.696489180e+02 1.32 1.575343220e+02 1.575343220e+02 1.34 1.462900178e+02 1.462900178e+02 1.36 1.358481224e+02 1.358481224e+02 1.38 1.261455507e+02 1.261455507e+02 1.40 1.171237533e+02 1.171237533e+02 1.42 1.087289429e+02 1.087289429e+02 1.44 1.009122486e+02 1.009122486e+02 1.46 9.362956168e+01 9.362956168e+01 1.48 8.684121612e+01 8.684121612e+01 1.50 8.051156568e+01 8.051156568e+01 1.52 7.460835582e+01 7.460835582e+01 1.54 6.910195118e+01 6.910195118e+01 1.56 6.396466247e+01 6.396466247e+01 1.58 5.917134134e+01 5.917134134e+01 1.60 5.471074411e+01 5.471074411e+01 1.62 5.056245549e+01 5.056245549e+01 1.64 4.670543361e+01 4.670543361e+01 1.66 4.312057302e+01 4.312057302e+01 1.68 3.978799625e+01 3.978799625e+01 1.70 3.668928540e+01 3.668928540e+01 1.72 3.380736557e+01 3.380736557e+01 1.74 3.112642101e+01 3.112642101e+01 1.76 2.863181620e+01 2.863181620e+01 1.78 2.631003317e+01 2.631003317e+01 1.80 2.414863403e+01 2.414863403e+01 1.82 2.213622593e+01 2.213622593e+01 1.84 2.026239502e+01 2.026239502e+01 1.86 1.851761724e+01 1.851761724e+01 1.88 1.689316427e+01 1.689316427e+01 1.90 1.538101356e+01 1.538101356e+01 1.92 1.397374107e+01 1.397374107e+01 1.94 1.266439849e+01 1.266439849e+01 1.96 1.144640542e+01 1.144640542e+01 1.98 1.031349709e+01 1.031349709e+01 2.00 9.259740095e+00 9.259740095e+00 2.02 8.279592189e+00 8.279592189e+00 2.04 7.367960836e+00 7.367960836e+00 2.06 6.520215488e+00 6.520215488e+00 2.08 5.732140390e+00 5.732140390e+00 2.10 4.999851647e+00 4.999851647e+00 2.12 4.319716617e+00 4.319716617e+00 2.14 3.688300477e+00 3.688300477e+00 2.16 3.102346046e+00 3.102346046e+00 2.18 2.558777954e+00 2.558777954e+00 2.20 2.054720527e+00 2.054720527e+00 2.22 1.587515257e+00 1.587515257e+00 2.24 1.154731508e+00 1.154731508e+00 2.26 7.541662390e-01 7.541662390e-01 2.28 3.838329697e-01 3.838329697e-01 2.30 4.194402225e-02 4.194402225e-02 2.32 -2.731140972e-01 -2.731140972e-01 2.34 -5.628062083e-01 -5.628062083e-01 2.36 -8.284762517e-01 -8.284762517e-01 2.38 -1.071373388e+00 -1.071373388e+00 2.40 -1.292676604e+00 -1.292676604e+00 2.42 -1.493518306e+00 -1.493518306e+00 2.44 -1.675006223e+00 -1.675006223e+00 2.46 -1.838244795e+00 -1.838244795e+00 2.48 -1.984352769e+00 -1.984352769e+00 2.50 -2.114475141e+00 -2.114475141e+00 2.52 -2.229788521e+00 -2.229788521e+00 2.54 -2.331501510e+00 -2.331501510e+00 2.56 -2.420851879e+00 -2.420851879e+00 2.58 -2.499138074e+00 -2.499138074e+00 2.60 -2.567944023e+00 -2.567944023e+00 2.62 -2.628411955e+00 -2.628411955e+00 2.64 -2.681565519e+00 -2.681565519e+00 2.66 -2.729370723e+00 -2.729370723e+00 2.68 -2.772577478e+00 -2.772577478e+00 2.70 -2.811267616e+00 -2.811267616e+00 2.72 -2.845461895e+00 -2.845461895e+00 2.74 -2.875126095e+00 -2.875126095e+00 2.76 -2.900206842e+00 -2.900206842e+00 2.78 -2.920662299e+00 -2.920662299e+00 2.80 -2.936455512e+00 -2.936455512e+00 2.82 -2.947569998e+00 -2.947569998e+00 2.84 -2.954035248e+00 -2.954035248e+00 2.86 -2.955931460e+00 -2.955931460e+00 2.88 -2.953373899e+00 -2.953373899e+00 2.90 -2.946511995e+00 -2.946511995e+00 2.92 -2.935527463e+00 -2.935527463e+00 2.94 -2.920631866e+00 -2.920631866e+00 2.96 -2.902064790e+00 -2.902064790e+00 2.98 -2.880093531e+00 -2.880093531e+00 3.00 -2.855014300e+00 -2.855014300e+00 3.02 -2.827153573e+00 -2.827153573e+00 3.04 -2.796866835e+00 -2.796866835e+00 3.06 -2.764533195e+00 -2.764533195e+00 3.08 -2.730541372e+00 -2.730541372e+00 3.10 -2.695272481e+00 -2.695272481e+00 3.12 -2.659079409e+00 -2.659079409e+00 3.14 -2.622269755e+00 -2.622269755e+00 3.16 -2.585093123e+00 -2.585093123e+00 3.18 -2.547738297e+00 -2.547738297e+00 3.20 -2.510336743e+00 -2.510336743e+00 3.22 -2.472971543e+00 -2.472971543e+00 3.24 -2.435688813e+00 -2.435688813e+00 3.26 -2.398509224e+00 -2.398509224e+00 3.28 -2.361437995e+00 -2.361437995e+00 3.30 -2.324472584e+00 -2.324472584e+00 3.32 -2.287610178e+00 -2.287610178e+00 3.34 -2.250857305e+00 -2.250857305e+00 3.36 -2.214205818e+00 -2.214205818e+00 3.38 -2.177649734e+00 -2.177649734e+00 3.40 -2.141188424e+00 -2.141188424e+00 3.42 -2.104826902e+00 -2.104826902e+00 3.44 -2.068575591e+00 -2.068575591e+00 3.46 -2.032450328e+00 -2.032450328e+00 3.48 -1.996471874e+00 -1.996471874e+00 3.50 -1.960665185e+00 -1.960665185e+00 3.52 -1.925058397e+00 -1.925058397e+00 3.54 -1.889680912e+00 -1.889680912e+00 3.56 -1.854554447e+00 -1.854554447e+00 3.58 -1.819694917e+00 -1.819694917e+00 3.60 -1.785118742e+00 -1.785118742e+00 3.62 -1.750841620e+00 -1.750841620e+00 3.64 -1.716877438e+00 -1.716877438e+00 3.66 -1.683237432e+00 -1.683237432e+00 3.68 -1.649929597e+00 -1.649929597e+00 3.70 -1.616958339e+00 -1.616958339e+00 3.72 -1.584324358e+00 -1.584324358e+00 3.74 -1.552024731e+00 -1.552024731e+00 3.76 -1.520053179e+00 -1.520053179e+00 3.78 -1.488400470e+00 -1.488400470e+00 3.80 -1.457054930e+00 -1.457054930e+00 3.82 -1.426002986e+00 -1.426002986e+00 3.84 -1.395229716e+00 -1.395229716e+00 3.86 -1.364719346e+00 -1.364719346e+00 3.88 -1.334455670e+00 -1.334455670e+00 3.90 -1.304422389e+00 -1.304422389e+00 3.92 -1.274603298e+00 -1.274603298e+00 3.94 -1.244982915e+00 -1.244982915e+00 3.96 -1.215546137e+00 -1.215546137e+00 3.98 -1.186278984e+00 -1.186278984e+00 4.00 -1.157168885e+00 -1.157168885e+00 4.02 -1.128205150e+00 -1.128205150e+00 4.04 -1.099379523e+00 -1.099379523e+00 4.06 -1.070686777e+00 -1.070686777e+00 4.08 -1.042125323e+00 -1.042125323e+00 4.10 -1.013697522e+00 -1.013697522e+00 4.12 -9.854115044e-01 -9.854115044e-01 4.14 -9.572797313e-01 -9.572797313e-01 4.16 -9.293208890e-01 -9.293208890e-01 4.18 -9.015599633e-01 -9.015599633e-01 4.20 -8.740286037e-01 -8.740286037e-01 4.22 -8.467653281e-01 -8.467653281e-01 4.24 -8.198154457e-01 -8.198154457e-01 4.26 -7.932305445e-01 -7.932305445e-01 4.28 -7.670673894e-01 -7.670673894e-01 4.30 -7.413861314e-01 -7.413861314e-01 4.32 -7.162478284e-01 -7.162478284e-01 4.34 -6.917114127e-01 -6.917114127e-01 4.36 -6.678303697e-01 -6.678303697e-01 4.38 -6.446494856e-01 -6.446494856e-01 4.40 -6.222020435e-01 -6.222020435e-01 4.42 -6.005077935e-01 -6.005077935e-01 4.44 -5.795719063e-01 -5.795719063e-01 4.46 -5.593849698e-01 -5.593849698e-01 4.48 -5.399239461e-01 -5.399239461e-01 4.50 -5.211538952e-01 -5.211538952e-01 4.52 -5.030302147e-01 -5.030302147e-01 4.54 -4.855011384e-01 -4.855011384e-01 4.56 -4.685102664e-01 -4.685102664e-01 4.58 -4.519989552e-01 -4.519989552e-01 4.60 -4.359084549e-01 -4.359084549e-01 4.62 -4.201817359e-01 -4.201817359e-01 4.64 -4.047649872e-01 -4.047649872e-01 4.66 -3.896087984e-01 -3.896087984e-01 4.68 -3.746690513e-01 -3.746690513e-01 4.70 -3.599075597e-01 -3.599075597e-01 4.72 -3.452924967e-01 -3.452924967e-01 4.74 -3.307986570e-01 -3.307986570e-01 4.76 -3.164076013e-01 -3.164076013e-01 4.78 -3.021077324e-01 -3.021077324e-01 4.80 -2.878941635e-01 -2.878941635e-01 4.82 -2.737695457e-01 -2.737695457e-01 4.84 -2.597429431e-01 -2.597429431e-01 4.86 -2.458307490e-01 -2.458307490e-01 4.88 -2.320564818e-01 -2.320564818e-01 4.90 -2.184506600e-01 -2.184506600e-01 4.92 -2.050504335e-01 -2.050504335e-01 4.94 -1.918988730e-01 -1.918988730e-01 4.96 -1.790438461e-01 -1.790438461e-01 4.98 -1.665364668e-01 -1.665364668e-01 5.00 -1.544291518e-01 -1.544291518e-01 5.02 -1.427734050e-01 -1.427734050e-01 5.04 -1.316174975e-01 -1.316174975e-01 5.06 -1.210042406e-01 -1.210042406e-01 5.08 -1.109690523e-01 -1.109690523e-01 5.10 -1.015384809e-01 -1.015384809e-01 5.12 -9.272930056e-02 -9.272930056e-02 5.14 -8.454821996e-02 -8.454821996e-02 5.16 -7.699217355e-02 -7.699217355e-02 5.18 -7.004911172e-02 -7.004911172e-02 5.20 -6.369916816e-02 -6.369916816e-02 5.22 -5.791606616e-02 -5.791606616e-02 5.24 -5.266862967e-02 -5.266862967e-02 5.26 -4.792227466e-02 -4.792227466e-02 5.28 -4.364041176e-02 -4.364041176e-02 5.30 -3.978565258e-02 -3.978565258e-02 5.32 -3.632085594e-02 -3.632085594e-02 5.34 -3.320994599e-02 -3.320994599e-02 5.36 -3.041850904e-02 -3.041850904e-02 5.38 -2.791343237e-02 -2.791343237e-02 5.40 -2.566487819e-02 -2.566487819e-02 5.42 -2.364590240e-02 -2.364590240e-02 5.44 -2.183185917e-02 -2.183185917e-02 5.46 -2.020042195e-02 -2.020042195e-02 5.48 -1.873147185e-02 -1.873147185e-02 5.50 -1.740699582e-02 -1.740699582e-02 5.52 -1.621093950e-02 -1.621093950e-02 5.54 -1.512903645e-02 -1.512903645e-02 5.56 -1.414862975e-02 -1.414862975e-02 5.58 -1.325849691e-02 -1.325849691e-02 5.60 -1.244868556e-02 -1.244868556e-02 5.62 -1.171036392e-02 -1.171036392e-02 5.64 -1.103568776e-02 -1.103568776e-02 5.66 -1.041768373e-02 -1.041768373e-02 5.68 -9.850147953e-03 -9.850147953e-03 5.70 -9.327558069e-03 -9.327558069e-03 5.72 -8.844996757e-03 -8.844996757e-03 5.74 -8.398084826e-03 -8.398084826e-03 5.76 -7.982922260e-03 -7.982922260e-03 5.78 -7.596035879e-03 -7.596035879e-03 5.80 -7.234332594e-03 -7.234332594e-03 5.82 -6.895057534e-03 -6.895057534e-03 5.84 -6.575756483e-03 -6.575756483e-03 5.86 -6.274242286e-03 -6.274242286e-03 5.88 -5.988564944e-03 -5.988564944e-03 5.90 -5.716985183e-03 -5.716985183e-03 5.92 -5.457951351e-03 -5.457951351e-03 5.94 -5.210079477e-03 -5.210079477e-03 5.96 -4.972136350e-03 -4.972136350e-03 5.98 -4.743025455e-03 -4.743025455e-03 6.00 -4.521775613e-03 -4.521775613e-03