# 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 = CuMg3 # 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 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 3.221793865e+02 nan nan 1.16 2.958488078e+02 nan nan 1.18 2.717354192e+02 nan nan 1.20 2.496409879e+02 nan nan 1.22 2.293869941e+02 nan nan 1.24 2.108116306e+02 nan nan 1.26 1.937680968e+02 nan nan 1.28 1.781232784e+02 2.779892524e+02 3.198679298e+02 1.30 1.637560479e+02 2.571006708e+02 2.963727645e+02 1.32 1.505555925e+02 2.378184095e+02 2.746536361e+02 1.34 1.384204439e+02 2.200094109e+02 2.545671719e+02 1.36 1.272583633e+02 2.035535751e+02 2.359825098e+02 1.38 1.169864418e+02 1.883425345e+02 2.187800858e+02 1.40 1.075306605e+02 1.742779900e+02 2.028506914e+02 1.42 9.882453859e+01 1.612701272e+02 1.880945637e+02 1.44 9.080718279e+01 1.492363532e+02 1.744204944e+02 1.46 8.342356649e+01 1.381004337e+02 1.617449761e+02 1.48 7.662314513e+01 1.277919802e+02 1.499913618e+02 1.50 7.035934880e+01 1.182461575e+02 1.390892174e+02 1.52 6.458930406e+01 1.094035015e+02 1.289739288e+02 1.54 5.927357734e+01 1.012096605e+02 1.195863751e+02 1.56 5.437590991e+01 9.361445193e+01 1.108725130e+02 1.58 4.986295452e+01 8.657226014e+01 1.027828467e+02 1.60 4.570400351e+01 8.004179357e+01 9.527151130e+01 1.62 4.187071927e+01 7.398534758e+01 8.829601134e+01 1.64 3.833692561e+01 6.836845151e+01 8.181742192e+01 1.66 3.507848715e+01 6.315944376e+01 7.579942267e+01 1.68 3.207327044e+01 5.832903758e+01 7.020807145e+01 1.70 2.930112597e+01 5.384996297e+01 6.501175735e+01 1.72 2.674379385e+01 4.969668922e+01 6.018127402e+01 1.74 2.438472432e+01 4.584526088e+01 5.568984580e+01 1.76 2.220886689e+01 4.227325078e+01 5.151301902e+01 1.78 2.020248832e+01 3.895980067e+01 4.762843028e+01 1.80 1.835301727e+01 3.588565672e+01 4.401556656e+01 1.82 1.664889045e+01 3.303314325e+01 4.065554690e+01 1.84 1.507940628e+01 3.038604529e+01 3.753095836e+01 1.86 1.363459697e+01 2.792947382e+01 3.462571370e+01 1.88 1.230512830e+01 2.564973318e+01 3.192493110e+01 1.90 1.108222536e+01 2.353421094e+01 2.941480456e+01 1.92 9.957625545e+00 2.157127313e+01 2.708244831e+01 1.94 8.923565049e+00 1.975017011e+01 2.491575790e+01 1.96 7.972794800e+00 1.806095527e+01 2.290329195e+01 1.98 7.098618938e+00 1.649442888e+01 2.103420759e+01 2.00 6.294922985e+00 1.504208691e+01 1.929825671e+01 2.02 5.556158741e+00 1.369605836e+01 1.768583153e+01 2.04 4.877292591e+00 1.244903363e+01 1.618802698e+01 2.06 4.253732530e+00 1.129419427e+01 1.479666557e+01 2.08 3.681265715e+00 1.022515384e+01 1.350426831e+01 2.10 3.156015340e+00 9.235919244e+00 1.230397390e+01 2.12 2.674410212e+00 8.320871447e+00 1.118945172e+01 2.14 2.233157640e+00 7.474756787e+00 1.015483020e+01 2.16 1.829212100e+00 6.692680484e+00 9.194645077e+00 2.18 1.459747600e+00 5.970087069e+00 8.303799800e+00 2.20 1.122129021e+00 5.302731459e+00 7.477526398e+00 2.22 8.138939965e-01 4.686642021e+00 6.711366553e+00 2.24 5.327438813e-01 4.118091963e+00 6.001153532e+00 2.26 2.764941683e-01 3.593581797e+00 5.343012376e+00 2.28 4.293902198e-02 3.109827388e+00 4.733357697e+00 2.30 -1.694707348e-01 2.663757870e+00 4.168886911e+00 2.32 -3.621166180e-01 2.252505991e+00 3.646554473e+00 2.34 -5.363127651e-01 1.873414146e+00 3.163538795e+00 2.36 -6.933057632e-01 1.524035531e+00 2.717207551e+00 2.38 -8.342780025e-01 1.202138364e+00 2.305088202e+00 2.40 -9.603546949e-01 9.056998422e-01 1.924855274e+00 2.42 -1.072631175e+00 6.328863755e-01 1.574323513e+00 2.44 -1.172180370e+00 3.820273357e-01 1.251447925e+00 2.46 -1.260028586e+00 1.515750830e-01 9.543191950e-01 2.48 -1.337154862e+00 -6.011652224e-02 6.811508935e-01 2.50 -1.404488234e+00 -2.542578233e-01 4.302576230e-01 2.52 -1.462903450e+00 -4.318577312e-01 2.000367181e-01 2.54 -1.513217530e+00 -5.938904043e-01 -1.119870998e-02 2.56 -1.556190776e+00 -7.412900618e-01 -2.049484228e-01 2.58 -1.592524048e+00 -8.749483500e-01 -3.823996537e-01 2.60 -1.622861364e+00 -9.957154273e-01 -5.446963072e-01 2.62 -1.647788189e+00 -1.104405393e+00 -6.929129377e-01 2.64 -1.667832857e+00 -1.201825490e+00 -8.280383045e-01 2.66 -1.683468035e+00 -1.288771438e+00 -9.509652630e-01 2.68 -1.695116702e+00 -1.366016276e+00 -1.062498702e+00 2.70 -1.703158829e+00 -1.434312189e+00 -1.163371230e+00 2.72 -1.707938338e+00 -1.494388700e+00 -1.254276880e+00 2.74 -1.709768780e+00 -1.546945789e+00 -1.335869988e+00 2.76 -1.708937118e+00 -1.592643563e+00 -1.408768322e+00 2.78 -1.705714261e+00 -1.632091161e+00 -1.473561989e+00 2.80 -1.700396992e+00 -1.665840470e+00 -1.530818696e+00 2.82 -1.693148446e+00 -1.694381272e+00 -1.581084327e+00 2.84 -1.684099742e+00 -1.718146241e+00 -1.624881574e+00 2.86 -1.673374235e+00 -1.737518045e+00 -1.662706212e+00 2.88 -1.661087646e+00 -1.752838958e+00 -1.695023201e+00 2.90 -1.647346255e+00 -1.764420356e+00 -1.722263969e+00 2.92 -1.632249467e+00 -1.772550620e+00 -1.744825795e+00 2.94 -1.615880548e+00 -1.777500828e+00 -1.763073402e+00 2.96 -1.598237252e+00 -1.779528237e+00 -1.777341223e+00 2.98 -1.579301649e+00 -1.778877967e+00 -1.787941395e+00 3.00 -1.559084547e+00 -1.775783422e+00 -1.795161475e+00 3.02 -1.537621736e+00 -1.770465943e+00 -1.799272978e+00 3.04 -1.514970222e+00 -1.763168021e+00 -1.800533606e+00 3.06 -1.491204374e+00 -1.754100759e+00 -1.799190245e+00 3.08 -1.466412086e+00 -1.743392490e+00 -1.795481252e+00 3.10 -1.440691059e+00 -1.731169338e+00 -1.789637728e+00 3.12 -1.414145300e+00 -1.717554457e+00 -1.781906591e+00 3.14 -1.386881909e+00 -1.702668807e+00 -1.772532791e+00 3.16 -1.359008175e+00 -1.686627137e+00 -1.761669375e+00 3.18 -1.330629017e+00 -1.669539705e+00 -1.749461227e+00 3.20 -1.301844866e+00 -1.651504606e+00 -1.736043006e+00 3.22 -1.272750130e+00 -1.632553296e+00 -1.721535461e+00 3.24 -1.243432379e+00 -1.612686810e+00 -1.706042236e+00 3.26 -1.213972310e+00 -1.591922634e+00 -1.689650629e+00 3.28 -1.184444434e+00 -1.570293295e+00 -1.672432814e+00 3.30 -1.154918228e+00 -1.547843920e+00 -1.654417141e+00 3.32 -1.125459446e+00 -1.524629470e+00 -1.635571609e+00 3.34 -1.096130952e+00 -1.500711638e+00 -1.615873337e+00 3.36 -1.066994276e+00 -1.476155702e+00 -1.595315512e+00 3.38 -1.038107728e+00 -1.451027761e+00 -1.573906711e+00 3.40 -1.009526617e+00 -1.425392561e+00 -1.551669644e+00 3.42 -9.813011964e-01 -1.399312831e+00 -1.528639428e+00 3.44 -9.534762802e-01 -1.372847955e+00 -1.504861591e+00 3.46 -9.260881425e-01 -1.346054543e+00 -1.480389980e+00 3.48 -8.991652071e-01 -1.318986407e+00 -1.455284796e+00 3.50 -8.727273894e-01 -1.291694663e+00 -1.429610227e+00 3.52 -8.467878613e-01 -1.264227721e+00 -1.403435920e+00 3.54 -8.213518417e-01 -1.236631147e+00 -1.376831586e+00 3.56 -7.964188923e-01 -1.208947484e+00 -1.349869565e+00 3.58 -7.719833669e-01 -1.181216089e+00 -1.322623553e+00 3.60 -7.480351645e-01 -1.153473071e+00 -1.295168191e+00 3.62 -7.245604085e-01 -1.125751389e+00 -1.267578428e+00 3.64 -7.015420743e-01 -1.098081165e+00 -1.239928514e+00 3.66 -6.789605861e-01 -1.070490219e+00 -1.212290546e+00 3.68 -6.567944079e-01 -1.043004854e+00 -1.184732694e+00 3.70 -6.350206596e-01 -1.015650862e+00 -1.157317365e+00 3.72 -6.136158026e-01 -9.884547042e-01 -1.130099621e+00 3.74 -5.925564471e-01 -9.614447632e-01 -1.103126172e+00 3.76 -5.718203298e-01 -9.346525339e-01 -1.076435074e+00 3.78 -5.513874986e-01 -9.081135564e-01 -1.050056137e+00 3.80 -5.312417094e-01 -8.818678839e-01 -1.024011866e+00 3.82 -5.113719987e-01 -8.559598864e-01 -9.983186769e-01 3.84 -4.917743362e-01 -8.304372603e-01 -9.729881717e-01 3.86 -4.724532001e-01 -8.053492376e-01 -9.480282816e-01 3.88 -4.534228561e-01 -7.807441422e-01 -9.234441816e-01 3.90 -4.347080833e-01 -7.566666013e-01 -8.992389527e-01 3.92 -4.163438280e-01 -7.331545264e-01 -8.754135965e-01 3.94 -3.983752122e-01 -7.102380785e-01 -8.519690068e-01 3.96 -3.808536174e-01 -6.879362824e-01 -8.289033294e-01 3.98 -3.638347635e-01 -6.662578900e-01 -8.062139131e-01 4.00 -3.473745341e-01 -6.452014339e-01 -7.838967557e-01 4.02 -3.315248897e-01 -6.247563805e-01 -7.619464520e-01 4.04 -3.163300620e-01 -6.049047495e-01 -7.403561454e-01 4.06 -3.018235163e-01 -5.856229221e-01 -7.191175065e-01 4.08 -2.880260302e-01 -5.668834106e-01 -6.982207500e-01 4.10 -2.749450325e-01 -5.486555527e-01 -6.776547080e-01 4.12 -2.625751332e-01 -5.309105521e-01 -6.574069727e-01 4.14 -2.508996087e-01 -5.136166494e-01 -6.374641243e-01 4.16 -2.398925111e-01 -4.967440971e-01 -6.178120606e-01 4.18 -2.295210569e-01 -4.802647000e-01 -5.984364434e-01 4.20 -2.197473153e-01 -4.641523526e-01 -5.793232749e-01 4.22 -2.105332132e-01 -4.483835228e-01 -5.604596100e-01 4.24 -2.018377815e-01 -4.329377233e-01 -5.418344025e-01 4.26 -1.936217231e-01 -4.177979917e-01 -5.234394638e-01 4.28 -1.858475351e-01 -4.029513794e-01 -5.052704953e-01 4.30 -1.784801328e-01 -3.883894239e-01 -4.873281291e-01 4.32 -1.714871891e-01 -3.741085556e-01 -4.696188824e-01 4.34 -1.648392553e-01 -3.601103726e-01 -4.521559115e-01 4.36 -1.585095940e-01 -3.464017062e-01 -4.349594314e-01 4.38 -1.524745898e-01 -3.329944024e-01 -4.180566755e-01 4.40 -1.467126799e-01 -3.199047623e-01 -4.014812933e-01 4.42 -1.412047313e-01 -3.071526222e-01 -3.852721362e-01 4.44 -1.359336349e-01 -2.947601000e-01 -3.694714624e-01 4.46 -1.308840668e-01 -2.827500903e-01 -3.541226741e-01 4.48 -1.260422633e-01 -2.711446357e-01 -3.392677868e-01 4.50 -1.213958146e-01 -2.599633351e-01 -3.249448870e-01 4.52 -1.169334803e-01 -2.492219487e-01 -3.111847547e-01 4.54 -1.126450260e-01 -2.389313373e-01 -2.980136589e-01 4.56 -1.085210806e-01 -2.290968229e-01 -2.854450340e-01 4.58 -1.045530136e-01 -2.197180002e-01 -2.734841605e-01 4.60 -1.007328299e-01 -2.107889659e-01 -2.621271390e-01 4.62 -9.705308024e-02 -2.022988888e-01 -2.513617866e-01 4.64 -9.350678598e-02 -1.942328177e-01 -2.411689432e-01 4.66 -9.008737603e-02 -1.865726130e-01 -2.315240024e-01 4.68 -8.678863432e-02 -1.792979051e-01 -2.223984936e-01 4.70 -8.360465655e-02 -1.723869964e-01 -2.137615802e-01 4.72 -8.052981481e-02 -1.658176550e-01 -2.055813775e-01 4.74 -7.755872917e-02 -1.595677697e-01 -1.978260412e-01 4.76 -7.468624546e-02 -1.536158567e-01 -1.904646092e-01 4.78 -7.190741881e-02 -1.479414254e-01 -1.834676081e-01 4.80 -6.921750281e-02 -1.425246255e-01 -1.768074509e-01 4.82 -6.661194569e-02 -1.373488536e-01 -1.704586599e-01 4.84 -6.408639199e-02 -1.323969187e-01 -1.643979522e-01 4.86 -6.163668558e-02 -1.276537516e-01 -1.586042230e-01 4.88 -5.925888951e-02 -1.231056272e-01 -1.530584559e-01 4.90 -5.694931064e-02 -1.187400780e-01 -1.477435861e-01 4.92 -5.470453285e-02 -1.145457895e-01 -1.426443378e-01 4.94 -5.252145851e-02 -1.105124884e-01 -1.377470481e-01 4.96 -5.039735722e-02 -1.066308309e-01 -1.330394923e-01 4.98 -4.832991902e-02 -1.028922942e-01 -1.285107138e-01 5.00 -4.631730824e-02 -9.928907602e-02 -1.241508675e-01 5.02 -4.435821216e-02 -9.581400375e-02 -1.199510758e-01 5.04 -4.245187723e-02 -9.246045350e-02 -1.159033009e-01 5.06 -4.059812512e-02 -8.922228013e-02 -1.120002323e-01 5.08 -3.879733999e-02 -8.609375785e-02 -1.082351882e-01 5.10 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-5.867479494e-02 5.46 -1.558384073e-02 -4.214223809e-02 -5.670830050e-02 5.48 -1.486354965e-02 -4.048046332e-02 -5.480591967e-02 5.50 -1.417472308e-02 -3.887847090e-02 -5.296533464e-02 5.52 -1.351507929e-02 -3.733634952e-02 -5.118429048e-02 5.54 -1.288268549e-02 -3.585396596e-02 -4.946027801e-02 5.56 -1.227595549e-02 -3.443089388e-02 -4.779182629e-02 5.58 -1.169363247e-02 -3.306636492e-02 -4.617647167e-02 5.60 -1.113475842e-02 -3.175924531e-02 -4.461216462e-02 5.62 -1.059863199e-02 -3.050803798e-02 -4.309689551e-02 5.64 -1.008475731e-02 -2.931090748e-02 -4.162869074e-02 5.66 -9.592786649e-03 -2.816572299e-02 -4.020560895e-02 5.68 -9.122460586e-03 -2.707011335e-02 -3.882573746e-02 5.70 -8.673549482e-03 -2.602152810e-02 -3.748718896e-02 5.72 -8.245800287e-03 -2.501729904e-02 -3.618809846e-02 5.74 -7.838892025e-03 -2.405469684e-02 -3.492661803e-02 5.76 -7.452402556e-03 -2.313091385e-02 -3.370071504e-02 5.78 -7.085787935e-03 -2.224320095e-02 -3.250849445e-02 5.80 -6.738374482e-03 -2.138893641e-02 -3.134821654e-02 5.82 -6.409362418e-03 -2.056559219e-02 -3.021814922e-02 5.84 -6.097839048e-03 -1.977074463e-02 -2.911657021e-02 5.86 -5.802798926e-03 -1.900208578e-02 -2.804177051e-02 5.88 -5.523168287e-03 -1.825743007e-02 -2.699205942e-02 5.90 -5.257831239e-03 -1.753471786e-02 -2.596577134e-02 5.92 -5.005655619e-03 -1.683201740e-02 -2.496127487e-02 5.94 -4.765517013e-03 -1.614752616e-02 -2.397698426e-02 5.96 -4.536319975e-03 -1.547957286e-02 -2.301137116e-02 5.98 -4.317016024e-03 -1.482662076e-02 -2.206296735e-02 6.00 -4.106618382e-03 -1.418727298e-02 -2.113042150e-02