# 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 = Al3Cu # 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 9.197510084e+01 nan nan 1.16 8.491110771e+01 nan nan 1.18 7.838730024e+01 nan nan 1.20 7.235765327e+01 nan nan 1.22 6.678041789e+01 nan nan 1.24 6.161803392e+01 nan nan 1.26 5.683763311e+01 nan nan 1.28 5.240967143e+01 8.028434880e+01 9.151576612e+01 1.30 4.830626025e+01 7.458011558e+01 8.520672584e+01 1.32 4.450102088e+01 6.927377230e+01 7.933900726e+01 1.34 4.096938242e+01 6.433650664e+01 7.387801747e+01 1.36 3.768836153e+01 5.974115055e+01 6.879174792e+01 1.38 3.463670905e+01 5.546313833e+01 6.404908295e+01 1.40 3.179593352e+01 5.148014244e+01 5.961932248e+01 1.42 2.915109524e+01 4.777077027e+01 5.547420515e+01 1.44 2.669013060e+01 4.431324676e+01 5.159054003e+01 1.46 2.440445020e+01 4.108518193e+01 4.795081702e+01 1.48 2.228729932e+01 3.806501475e+01 4.454146087e+01 1.50 2.032562977e+01 3.523424134e+01 4.135034223e+01 1.52 1.850620753e+01 3.257862610e+01 3.836508943e+01 1.54 1.681697252e+01 3.008756877e+01 3.557272169e+01 1.56 1.524760195e+01 2.775243801e+01 3.296015689e+01 1.58 1.378927976e+01 2.556526038e+01 3.051481769e+01 1.60 1.243412104e+01 2.352193963e+01 2.822492519e+01 1.62 1.117470069e+01 2.161560809e+01 2.607946241e+01 1.64 1.000388400e+01 1.983727953e+01 2.407109882e+01 1.66 8.914966449e+00 1.817804468e+01 2.219269099e+01 1.68 7.901975280e+00 1.662927038e+01 2.043409272e+01 1.70 6.959886704e+00 1.518294193e+01 1.878602168e+01 1.72 6.084582027e+00 1.383194306e+01 1.724056431e+01 1.74 5.272557210e+00 1.257003835e+01 1.579134936e+01 1.76 4.520539876e+00 1.139159471e+01 1.443326282e+01 1.78 3.825170502e+00 1.029130730e+01 1.316192065e+01 1.80 3.182820507e+00 9.264128973e+00 1.197318078e+01 1.82 2.589546824e+00 8.305371456e+00 1.086282086e+01 1.84 2.041172141e+00 7.410807980e+00 9.826360994e+00 1.86 1.533493079e+00 6.576650325e+00 8.858984854e+00 1.88 1.062581085e+00 5.799392388e+00 7.955578926e+00 1.90 6.250634176e-01 5.075593047e+00 7.110949623e+00 1.92 2.182564321e-01 4.401693660e+00 6.320200899e+00 1.94 -1.598859766e-01 3.773954594e+00 5.579108468e+00 1.96 -5.109346011e-01 3.188551565e+00 4.884282988e+00 1.98 -8.361514205e-01 2.641800335e+00 4.233053607e+00 2.00 -1.136602198e+00 2.130416236e+00 3.623186960e+00 2.02 -1.413217159e+00 1.651703535e+00 3.052618754e+00 2.04 -1.666829108e+00 1.203605436e+00 2.519306140e+00 2.06 -1.898216588e+00 7.846038779e-01 2.021208037e+00 2.08 -2.108166368e+00 3.935178638e-01 1.556340599e+00 2.10 -2.297553458e+00 2.928284569e-02 1.122844154e+00 2.12 -2.467421083e+00 -3.092165267e-01 7.190174517e-01 2.14 -2.619033258e+00 -6.232278068e-01 3.433027252e-01 2.16 -2.753875918e+00 -9.141322683e-01 -5.771495494e-03 2.18 -2.873598979e+00 -1.183392993e+00 -3.296682472e-01 2.20 -2.979912898e+00 -1.432480113e+00 -6.299108732e-01 2.22 -3.074467371e+00 -1.662799618e+00 -9.081102103e-01 2.24 -3.158742059e+00 -1.875642788e+00 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-3.556820359e+00 -3.460725093e+00 2.62 -3.555551585e+00 -3.567754683e+00 -3.502698707e+00 2.64 -3.526701308e+00 -3.576122793e+00 -3.539542656e+00 2.66 -3.493879064e+00 -3.584078960e+00 -3.571409178e+00 2.68 -3.457675268e+00 -3.591338537e+00 -3.598366444e+00 2.70 -3.418761414e+00 -3.597531575e+00 -3.620424624e+00 2.72 -3.377834436e+00 -3.602316473e+00 -3.638362711e+00 2.74 -3.335555605e+00 -3.605372092e+00 -3.653306544e+00 2.76 -3.292499720e+00 -3.606396525e+00 -3.664728179e+00 2.78 -3.249124090e+00 -3.605108221e+00 -3.672073668e+00 2.80 -3.205758308e+00 -3.601247442e+00 -3.674958104e+00 2.82 -3.162609992e+00 -3.594587072e+00 -3.673176443e+00 2.84 -3.119780534e+00 -3.584952446e+00 -3.666712775e+00 2.86 -3.077285878e+00 -3.572201234e+00 -3.655740212e+00 2.88 -3.035079225e+00 -3.556213527e+00 -3.640604024e+00 2.90 -2.993073254e+00 -3.536898870e+00 -3.621788712e+00 2.92 -2.951160336e+00 -3.514204567e+00 -3.599890104e+00 2.94 -2.909229322e+00 -3.488125361e+00 -3.575540125e+00 2.96 -2.867178163e+00 -3.458714452e+00 -3.549312059e+00 2.98 -2.824922405e+00 -3.426094918e+00 -3.521672935e+00 3.00 -2.782399732e+00 -3.390469341e+00 -3.492964748e+00 3.02 -2.739571204e+00 -3.352124323e+00 -3.463408584e+00 3.04 -2.696419885e+00 -3.311426227e+00 -3.433124540e+00 3.06 -2.652947660e+00 -3.268805653e+00 -3.402159153e+00 3.08 -2.609171038e+00 -3.224730458e+00 -3.370512946e+00 3.10 -2.565116714e+00 -3.179671136e+00 -3.338163289e+00 3.12 -2.520817574e+00 -3.134064583e+00 -3.305080443e+00 3.14 -2.476309616e+00 -3.088283544e+00 -3.271236657e+00 3.16 -2.431630072e+00 -3.042616882e+00 -3.236609488e+00 3.18 -2.386816698e+00 -2.997263112e+00 -3.201181129e+00 3.20 -2.341908043e+00 -2.952335589e+00 -3.164935655e+00 3.22 -2.296944286e+00 -2.907875855e+00 -3.127855945e+00 3.24 -2.251968211e+00 -2.863870915e+00 -3.089921422e+00 3.26 -2.207025911e+00 -2.820270871e+00 -3.051107418e+00 3.28 -2.162166957e+00 -2.777004626e+00 -3.011386207e+00 3.30 -2.117443903e+00 -2.733992596e+00 -2.970729552e+00 3.32 -2.072911197e+00 -2.691156249e+00 -2.929112344e+00 3.34 -2.028623654e+00 -2.648424829e+00 -2.886516972e+00 3.36 -1.984634774e+00 -2.605739746e+00 -2.842938067e+00 3.38 -1.940995010e+00 -2.563057120e+00 -2.798387400e+00 3.40 -1.897750348e+00 -2.520348888e+00 -2.752898701e+00 3.42 -1.854941183e+00 -2.477602791e+00 -2.706532100e+00 3.44 -1.812601624e+00 -2.434821403e+00 -2.659377740e+00 3.46 -1.770759091e+00 -2.392020513e+00 -2.611557927e+00 3.48 -1.729434302e+00 -2.349226973e+00 -2.563227021e+00 3.50 -1.688641423e+00 -2.306476239e+00 -2.514568343e+00 3.52 -1.648388378e+00 -2.263809785e+00 -2.465787798e+00 3.54 -1.608677086e+00 -2.221272580e+00 -2.417104053e+00 3.56 -1.569503744e+00 -2.178910769e+00 -2.368736645e+00 3.58 -1.530858946e+00 -2.136769674e+00 -2.320893205e+00 3.60 -1.492727707e+00 -2.094892193e+00 -2.273757756e+00 3.62 -1.455089366e+00 -2.053317617e+00 -2.227481756e+00 3.64 -1.417917433e+00 -2.012080884e+00 -2.182178881e+00 3.66 -1.381179424e+00 -1.971212228e+00 -2.137923811e+00 3.68 -1.344836760e+00 -1.930737188e+00 -2.094754456e+00 3.70 -1.308844813e+00 -1.890676905e+00 -2.052676634e+00 3.72 -1.273153201e+00 -1.851048622e+00 -2.011670035e+00 3.74 -1.237706407e+00 -1.811866302e+00 -1.971694448e+00 3.76 -1.202444838e+00 -1.773141224e+00 -1.932695558e+00 3.78 -1.167306404e+00 -1.734882444e+00 -1.894609894e+00 3.80 -1.132228687e+00 -1.697097013e+00 -1.857368834e+00 3.82 -1.097151759e+00 -1.659789860e+00 -1.820901737e+00 3.84 -1.062021618e+00 -1.622963324e+00 -1.785138355e+00 3.86 -1.026794180e+00 -1.586616396e+00 -1.750010715e+00 3.88 -9.914396502e-01 -1.550743796e+00 -1.715454605e+00 3.90 -9.559470003e-01 -1.515335083e+00 -1.681410782e+00 3.92 -9.203281806e-01 -1.480373969e+00 -1.647825911e+00 3.94 -8.846216608e-01 -1.445838056e+00 -1.614653327e+00 3.96 -8.488946949e-01 -1.411698947e+00 -1.581853386e+00 3.98 -8.132439947e-01 -1.377922895e+00 -1.549393663e+00 4.00 -7.777942854e-01 -1.344471800e+00 -1.517248767e+00 4.02 -7.426945392e-01 -1.311304494e+00 -1.485399867e+00 4.04 -7.081118440e-01 -1.278378204e+00 -1.453833973e+00 4.06 -6.742231498e-01 -1.245650136e+00 -1.422543015e+00 4.08 -6.412054554e-01 -1.213079155e+00 -1.391522819e+00 4.10 -6.092252979e-01 -1.180627535e+00 -1.360772063e+00 4.12 -5.784286173e-01 -1.148262990e+00 -1.330291292e+00 4.14 -5.489321219e-01 -1.115960576e+00 -1.300082078e+00 4.16 -5.208171252e-01 -1.083705007e+00 -1.270146366e+00 4.18 -4.941264895e-01 -1.051492865e+00 -1.240486053e+00 4.20 -4.688648406e-01 -1.019334723e+00 -1.211102814e+00 4.22 -4.450019017e-01 -9.872569055e-01 -1.181998171e+00 4.24 -4.224780077e-01 -9.553025964e-01 -1.153173790e+00 4.26 -4.012113919e-01 -9.235320115e-01 -1.124631955e+00 4.28 -3.811060473e-01 -8.920213667e-01 -1.096376169e+00 4.30 -3.620595238e-01 -8.608605158e-01 -1.068411797e+00 4.32 -3.439700268e-01 -8.301492818e-01 -1.040746650e+00 4.34 -3.267423922e-01 -7.999927022e-01 -1.013391400e+00 4.36 -3.102926736e-01 -7.704955823e-01 -9.863597271e-01 4.38 -2.945512384e-01 -7.417568693e-01 -9.596680694e-01 4.40 -2.794642817e-01 -7.138643882e-01 -9.333349411e-01 4.42 -2.649939080e-01 -6.868904182e-01 -9.073797783e-01 4.44 -2.511168476e-01 -6.608884460e-01 -8.818213718e-01 4.46 -2.378220625e-01 -6.358912618e-01 -8.566760004e-01 4.48 -2.251075347e-01 -6.119103869e-01 -8.319554390e-01 4.50 -2.129766053e-01 -5.889366920e-01 -8.076650496e-01 4.52 -2.014342569e-01 -5.669419758e-01 -7.838021319e-01 4.54 -1.904837181e-01 -5.458812424e-01 -7.603548962e-01 4.56 -1.801237005e-01 -5.256954176e-01 -7.373016911e-01 4.58 -1.703464739e-01 -5.063142774e-01 -7.146111862e-01 4.60 -1.611368572e-01 -4.876594009e-01 -6.922429782e-01 4.62 -1.524720870e-01 -4.696470151e-01 -6.701487515e-01 4.64 -1.443224284e-01 -4.521906413e-01 -6.482738577e-01 4.66 -1.366523398e-01 -4.352035041e-01 -6.265592089e-01 4.68 -1.294219843e-01 -4.186006977e-01 -6.049433950e-01 4.70 -1.225888988e-01 -4.023011359e-01 -5.833649618e-01 4.72 -1.161096672e-01 -3.862293285e-01 -5.617648081e-01 4.74 -1.099414873e-01 -3.703170320e-01 -5.400886775e-01 4.76 -1.040435672e-01 -3.545048163e-01 -5.182897227e-01 4.78 -9.837831612e-02 -3.387435691e-01 -4.963311101e-01 4.80 -9.291231956e-02 -3.229959173e-01 -4.741886040e-01 4.82 -8.761710193e-02 -3.072376223e-01 -4.518530333e-01 4.84 -8.246967787e-02 -2.914586216e-01 -4.293325002e-01 4.86 -7.745279896e-02 -2.756639501e-01 -4.066541472e-01 4.88 -7.255516775e-02 -2.598741435e-01 -3.838652718e-01 4.90 -6.777158893e-02 -2.441250916e-01 -3.610335698e-01 4.92 -6.310229647e-02 -2.284671982e-01 -3.382463143e-01 4.94 -5.855241608e-02 -2.129637677e-01 -3.156083409e-01 4.96 -5.413119662e-02 -1.976886012e-01 -2.932388089e-01 4.98 -4.985103883e-02 -1.827228740e-01 -2.712668401e-01 5.00 -4.572638236e-02 -1.681514576e-01 -2.498262689e-01 5.02 -4.177252397e-02 -1.540589281e-01 -2.290498694e-01 5.04 -3.800444241e-02 -1.405255626e-01 -2.090635057e-01 5.06 -3.443572144e-02 -1.276236381e-01 -1.899806839e-01 5.08 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-2.020386936e-02 5.44 -3.122552708e-03 -1.175991727e-02 -1.758841990e-02 5.46 -2.717272111e-03 -1.023417077e-02 -1.530715737e-02 5.48 -2.364289024e-03 -8.904983714e-03 -1.331947986e-02 5.50 -2.057078632e-03 -7.747954533e-03 -1.158906004e-02 5.52 -1.789857168e-03 -6.741409829e-03 -1.008358699e-02 5.54 -1.557518298e-03 -5.866186104e-03 -8.774454009e-03 5.56 -1.355569140e-03 -5.105403120e-03 -7.636469998e-03 5.58 -1.180067984e-03 -4.444238938e-03 -6.647478046e-03 5.60 -1.027565113e-03 -3.869713400e-03 -5.788075640e-03 5.62 -8.950475799e-04 -3.370484371e-03 -5.041304128e-03 5.64 -7.798884122e-04 -2.936659179e-03 -4.392369222e-03 5.66 -6.798004117e-04 -2.559622405e-03 -3.828385002e-03 5.68 -5.927945210e-04 -2.231880219e-03 -3.338142055e-03 5.70 -5.171425842e-04 -1.946920840e-03 -2.911899342e-03 5.72 -4.513442435e-04 -1.699090300e-03 -2.541198706e-03 5.74 -3.940976620e-04 -1.483482430e-03 -2.218700510e-03 5.76 -3.442737404e-04 -1.295841895e-03 -1.938038697e-03 5.78 -3.008934918e-04 -1.132479037e-03 -1.693693468e-03 5.80 -2.631082442e-04 -9.901953428e-04 -1.480879796e-03 5.82 -2.301823621e-04 -8.662183496e-04 -1.295450071e-03 5.84 -2.014781948e-04 -7.581449408e-04 -1.133809262e-03 5.86 -1.764429884e-04 -6.638920190e-04 -9.928411251e-04 5.88 -1.545975199e-04 -5.816536666e-04 -8.698441034e-04 5.90 -1.355262381e-04 -5.098639807e-04 -7.624757256e-04 5.92 -1.188687191e-04 -4.471648616e-04 -6.687044086e-04 5.94 -1.043122664e-04 -3.923781143e-04 -5.867677168e-04 5.96 -9.158550613e-05 -3.444813004e-04 -5.151362307e-04 5.98 -8.045284468e-05 -3.025868438e-04 -4.524822857e-04 6.00 -7.070967546e-05 -2.659239571e-04 -3.976529310e-04