# 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 = Cu3Ta # 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 1.761206166e+02 nan nan 1.16 1.609368222e+02 nan nan 1.18 1.470192463e+02 nan nan 1.20 1.342590658e+02 nan nan 1.22 1.225617076e+02 nan nan 1.24 1.118408469e+02 nan nan 1.26 1.020157683e+02 nan nan 1.28 9.301059433e+01 1.504354487e+02 1.745783402e+02 1.30 8.475404731e+01 1.383860130e+02 1.610622636e+02 1.32 7.718007121e+01 1.272742990e+02 1.485796391e+02 1.34 7.022902041e+01 1.170225571e+02 1.370445716e+02 1.36 6.384814784e+01 1.075622041e+02 1.263811585e+02 1.38 5.799058492e+01 9.883225544e+01 1.165213788e+02 1.40 5.261334869e+01 9.077746919e+01 1.074024160e+02 1.42 4.767565524e+01 8.334699763e+01 9.896466553e+01 1.44 4.313845964e+01 7.649300912e+01 9.115129385e+01 1.46 3.896529640e+01 7.016917059e+01 8.390913345e+01 1.48 3.512365745e+01 6.432973125e+01 7.718988717e+01 1.50 3.158755322e+01 5.892994119e+01 7.095094360e+01 1.52 2.833825635e+01 5.392766721e+01 6.515557549e+01 1.54 2.535510068e+01 4.928514365e+01 5.977236014e+01 1.56 2.261895854e+01 4.496985977e+01 5.477394028e+01 1.58 2.011144878e+01 4.095451945e+01 5.013568388e+01 1.60 1.781447704e+01 3.721659358e+01 4.583472246e+01 1.62 1.571044853e+01 3.373773834e+01 4.184933930e+01 1.64 1.378225624e+01 3.050562475e+01 3.815841213e+01 1.66 1.201362549e+01 2.751098940e+01 3.474083308e+01 1.68 1.038957415e+01 2.474182436e+01 3.157550288e+01 1.70 8.896856572e+00 2.218631989e+01 2.864531552e+01 1.72 7.524236961e+00 1.983225846e+01 2.593066470e+01 1.74 6.262498951e+00 1.766682189e+01 2.341236754e+01 1.76 5.104193409e+00 1.567692188e+01 2.107380922e+01 1.78 4.043209190e+00 1.384952548e+01 1.890086510e+01 1.80 3.074289549e+00 1.217208796e+01 1.688184238e+01 1.82 2.192598133e+00 1.063291390e+01 1.500693651e+01 1.84 1.393388584e+00 9.221295995e+00 1.326777953e+01 1.86 6.717894888e-01 7.927433664e+00 1.165712514e+01 1.88 2.270075436e-02 6.742231733e+00 1.016854636e+01 1.90 -5.592024013e-01 5.657100450e+00 8.796089145e+00 1.92 -1.079369517e+00 4.663836166e+00 7.533899536e+00 1.94 -1.543212510e+00 3.754605702e+00 6.375902200e+00 1.96 -1.955930265e+00 2.922012654e+00 5.315619807e+00 1.98 -2.322361869e+00 2.159200053e+00 4.346190455e+00 2.00 -2.646889640e+00 1.459946277e+00 3.460580415e+00 2.02 -2.933400153e+00 8.187306207e-01 2.651916349e+00 2.04 -3.185307084e+00 2.307601377e-01 1.913807499e+00 2.06 -3.405630269e+00 -3.080476019e-01 1.240536218e+00 2.08 -3.597009020e+00 -8.011291160e-01 6.270682070e-01 2.10 -3.762004037e+00 -1.251380343e+00 6.891923203e-02 2.12 -3.903305489e+00 -1.661284238e+00 -4.380426085e-01 2.14 -4.023500166e+00 -2.033038508e+00 -8.977869530e-01 2.16 -4.125065635e+00 -2.368667434e+00 -1.314257974e+00 2.18 -4.210340512e+00 -2.670111265e+00 -1.691433824e+00 2.20 -4.281305097e+00 -2.939293435e+00 -2.033298406e+00 2.22 -4.339279856e+00 -3.178168865e+00 -2.343729934e+00 2.24 -4.385447996e+00 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-4.149783440e+00 -4.579716276e+00 -4.686379460e+00 2.62 -4.106684380e+00 -4.571126388e+00 -4.683870174e+00 2.64 -4.060790583e+00 -4.557822256e+00 -4.674793399e+00 2.66 -4.012189945e+00 -4.540192121e+00 -4.659959319e+00 2.68 -3.961004668e+00 -4.518824847e+00 -4.640087594e+00 2.70 -3.907374052e+00 -4.494160334e+00 -4.615827228e+00 2.72 -3.851453789e+00 -4.466468101e+00 -4.587777988e+00 2.74 -3.793413488e+00 -4.436370619e+00 -4.556503855e+00 2.76 -3.733432296e+00 -4.403860702e+00 -4.522540057e+00 2.78 -3.671692716e+00 -4.368809945e+00 -4.486850163e+00 2.80 -3.608373102e+00 -4.331120121e+00 -4.449801338e+00 2.82 -3.543639745e+00 -4.290708847e+00 -4.411301740e+00 2.84 -3.477639640e+00 -4.247514141e+00 -4.371289329e+00 2.86 -3.410495060e+00 -4.201510754e+00 -4.329716985e+00 2.88 -3.342300817e+00 -4.152694898e+00 -4.286545592e+00 2.90 -3.273124658e+00 -4.101091859e+00 -4.241742599e+00 2.92 -3.203010727e+00 -4.046789593e+00 -4.195283593e+00 2.94 -3.131985508e+00 -3.989918150e+00 -4.147154735e+00 2.96 -3.060065233e+00 -3.930630843e+00 -4.097372785e+00 2.98 -2.987263496e+00 -3.869100134e+00 -4.046014379e+00 3.00 -2.913597825e+00 -3.805511271e+00 -3.993170984e+00 3.02 -2.839094216e+00 -3.740054749e+00 -3.938940525e+00 3.04 -2.763789108e+00 -3.672918863e+00 -3.883429265e+00 3.06 -2.687728776e+00 -3.604283282e+00 -3.826752850e+00 3.08 -2.610966676e+00 -3.534314283e+00 -3.769036155e+00 3.10 -2.533559574e+00 -3.463161974e+00 -3.710411386e+00 3.12 -2.455563471e+00 -3.390959583e+00 -3.651013855e+00 3.14 -2.377030288e+00 -3.317824732e+00 -3.590975206e+00 3.16 -2.298006075e+00 -3.243862482e+00 -3.530414564e+00 3.18 -2.218531263e+00 -3.169169769e+00 -3.469428895e+00 3.20 -2.138643171e+00 -3.093840803e+00 -3.408084470e+00 3.22 -2.058380719e+00 -3.017972779e+00 -3.346411418e+00 3.24 -1.977791021e+00 -2.941671232e+00 -3.284402751e+00 3.26 -1.896937292e+00 -2.865054242e+00 -3.222018262e+00 3.28 -1.815907296e+00 -2.788254766e+00 -3.159192562e+00 3.30 -1.734821362e+00 -2.711420563e+00 -3.095845748e+00 3.32 -1.653838862e+00 -2.634711448e+00 -3.031894849e+00 3.34 -1.573162060e+00 -2.558294052e+00 -2.967264329e+00 3.36 -1.493036344e+00 -2.482334660e+00 -2.901894348e+00 3.38 -1.413746227e+00 -2.406991033e+00 -2.835746066e+00 3.40 -1.335607005e+00 -2.332404298e+00 -2.768803822e+00 3.42 -1.258952604e+00 -2.258691929e+00 -2.701074500e+00 3.44 -1.184120835e+00 -2.185942612e+00 -2.632584731e+00 3.46 -1.111437759e+00 -2.114213480e+00 -2.563376728e+00 3.48 -1.041203108e+00 -2.043529782e+00 -2.493503620e+00 3.50 -9.736785086e-01 -1.973886801e+00 -2.423025028e+00 3.52 -9.090797260e-01 -1.905253616e+00 -2.352003495e+00 3.54 -8.475732804e-01 -1.837578237e+00 -2.280502175e+00 3.56 -7.892769329e-01 -1.770793661e+00 -2.208584005e+00 3.58 -7.342628017e-01 -1.704824484e+00 -2.136312391e+00 3.60 -6.825615623e-01 -1.639593789e+00 -2.063753306e+00 3.62 -6.341663207e-01 -1.575030124e+00 -1.990978558e+00 3.64 -5.890353159e-01 -1.511074418e+00 -1.918069891e+00 3.66 -5.470933793e-01 -1.447686670e+00 -1.845123498e+00 3.68 -5.082327768e-01 -1.384852217e+00 -1.772254452e+00 3.70 -4.723144487e-01 -1.322587264e+00 -1.699600501e+00 3.72 -4.391706291e-01 -1.260943297e+00 -1.627324688e+00 3.74 -4.086094298e-01 -1.200009851e+00 -1.555616258e+00 3.76 -3.804214138e-01 -1.139915103e+00 -1.484689442e+00 3.78 -3.543876718e-01 -1.080823751e+00 -1.414779862e+00 3.80 -3.302886009e-01 -1.022931838e+00 -1.346138540e+00 3.82 -3.079125102e-01 -9.664584327e-01 -1.279023764e+00 3.84 -2.870632824e-01 -9.116345220e-01 -1.213691368e+00 3.86 -2.675665200e-01 -8.586899141e-01 -1.150384171e+00 3.88 -2.492738056e-01 -8.078393736e-01 -1.089321522e+00 3.90 -2.320648837e-01 -7.592694385e-01 -1.030689867e+00 3.92 -2.158477135e-01 -7.131273548e-01 -9.746351587e-01 3.94 -2.005564789e-01 -6.695132658e-01 -9.212577150e-01 3.96 -1.861477918e-01 -6.284762891e-01 -8.706098028e-01 3.98 -1.725955003e-01 -5.900145255e-01 -8.226959407e-01 4.00 -1.598846690e-01 -5.540785176e-01 -7.774756212e-01 4.02 -1.480054144e-01 -5.205773116e-01 -7.348679648e-01 4.04 -1.369472884e-01 -4.893861241e-01 -6.947577150e-01 4.06 -1.266947980e-01 -4.603546567e-01 -6.570019751e-01 4.08 -1.172244399e-01 -4.333152701e-01 -6.214371558e-01 4.10 -1.085033659e-01 -4.080904702e-01 -5.878857144e-01 4.12 -1.004895453e-01 -3.844993954e-01 -5.561624067e-01 4.14 -9.313310526e-02 -3.623631997e-01 -5.260798974e-01 4.16 -8.637842683e-02 -3.415093779e-01 -4.974536963e-01 4.18 -8.016661501e-02 -3.217751707e-01 -4.701064618e-01 4.20 -7.443799101e-02 -3.030102304e-01 -4.438717700e-01 4.22 -6.913435044e-02 -2.850787321e-01 -4.185974566e-01 4.24 -6.420085032e-02 -2.678610860e-01 -3.941486291e-01 4.26 -5.958742225e-02 -2.512553574e-01 -3.704103966e-01 4.28 -5.524976807e-02 -2.351784382e-01 -3.472903043e-01 4.30 -5.115074459e-02 -2.195669440e-01 -3.247203776e-01 4.32 -4.726009175e-02 -2.043777473e-01 -3.026586063e-01 4.34 -4.355448891e-02 -1.895880032e-01 -2.810896298e-01 4.36 -4.001737362e-02 -1.751945000e-01 -2.600243613e-01 4.38 -3.663846149e-02 -1.612121771e-01 -2.394983067e-01 4.40 -3.341299425e-02 -1.476717108e-01 -2.195684239e-01 4.42 -3.034075742e-02 -1.346161654e-01 -2.003085183e-01 4.44 -2.742491866e-02 -1.220968419e-01 -1.818033669e-01 4.46 -2.467076249e-02 -1.101685896e-01 -1.641419732e-01 4.48 -2.208441453e-02 -9.888496179e-02 -1.474105243e-01 4.50 -1.967165355e-02 -8.829365518e-02 -1.316857158e-01 4.52 -1.743659430e-02 -7.843265700e-02 -1.170290882e-01 4.54 -1.538156071e-02 -6.932743471e-02 -1.034828890e-01 4.56 -1.350658051e-02 -6.098935870e-02 -9.106775557e-02 4.58 -1.180889755e-02 -5.341537778e-02 -7.978226711e-02 4.60 -1.028308935e-02 -4.658882035e-02 -6.960417476e-02 4.62 -8.921390745e-03 -4.048108033e-02 -6.049294877e-02 4.64 -7.714152211e-03 -3.505370803e-02 -5.239318567e-02 4.66 -6.650362227e-03 -3.026108250e-02 -4.523841608e-02 4.68 -5.718172816e-03 -2.605339108e-02 -3.895492976e-02 4.70 -4.905382905e-03 -2.237837553e-02 -3.346529538e-02 4.72 -4.199850708e-03 -1.918298409e-02 -2.869119363e-02 4.74 -3.589821453e-03 -1.641576757e-02 -2.455572813e-02 4.76 -3.064168715e-03 -1.402798376e-02 -2.098635387e-02 4.78 -2.612555822e-03 -1.197394970e-02 -1.791491579e-02 4.80 -2.225528593e-03 -1.021161807e-02 -1.527902049e-02 4.82 -1.894552635e-03 -8.702856873e-03 -1.302199928e-02 4.84 -1.612008450e-03 -7.413503567e-03 -1.109297147e-02 4.86 -1.371156380e-03 -6.313260152e-03 -9.446743484e-03 4.88 -1.166081618e-03 -5.375480898e-03 -8.043527863e-03 4.90 -9.916274628e-04 -4.576895619e-03 -6.848552278e-03 4.92 -8.433230735e-04 -3.897300252e-03 -5.831610894e-03 4.94 -7.173102760e-04 -3.319237778e-03 -4.966595781e-03 4.96 -6.102725459e-04 -2.827685329e-03 -4.231034093e-03 4.98 -5.193681816e-04 -2.409757725e-03 -3.605647676e-03 5.00 -4.421688285e-04 -2.054433464e-03 -3.073944955e-03 5.02 -3.766038987e-04 -1.752306160e-03 -2.621850082e-03 5.04 -3.209109981e-04 -1.495362289e-03 -2.237370987e-03 5.06 -2.735921869e-04 -1.276784710e-03 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