# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Au3Pd # 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 2026-08-31 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 4.878704758e+06 nan nan 0.80 4.427214232e+06 nan nan 0.82 4.019192398e+06 nan nan 0.84 3.649609191e+06 nan nan 0.86 3.314108461e+06 4.687390819e+06 nan 0.88 3.008892368e+06 4.288814781e+06 4.783408891e+06 0.90 2.730657069e+06 3.925322002e+06 4.387106440e+06 0.92 2.476514045e+06 3.593176620e+06 4.024941863e+06 0.94 2.243967155e+06 3.289110997e+06 3.693375678e+06 0.96 2.030817681e+06 3.010267002e+06 3.389248014e+06 0.98 1.835131835e+06 2.754098441e+06 3.109817032e+06 1.00 1.655180621e+06 2.518372018e+06 2.852638485e+06 1.02 1.489433309e+06 2.301131458e+06 2.615589282e+06 1.04 1.336549475e+06 2.100635313e+06 2.396771135e+06 1.06 1.195339068e+06 1.915332647e+06 2.194503800e+06 1.08 1.064738236e+06 1.743853795e+06 2.007294085e+06 1.10 9.437740440e+05 1.584925446e+06 1.833767456e+06 1.12 8.316129791e+05 1.437455265e+06 1.672713181e+06 1.14 7.274980869e+05 1.300462064e+06 1.523054818e+06 1.16 6.307512466e+05 1.173035961e+06 1.383816728e+06 1.18 5.407482856e+05 1.054381214e+06 1.254146867e+06 1.20 4.569312382e+05 9.437869595e+05 1.133254343e+06 1.22 3.788112266e+05 8.405951020e+05 1.020435910e+06 1.24 3.059190678e+05 7.442142151e+05 9.150533051e+05 1.26 2.404955181e+05 6.541216801e+05 8.165090622e+05 1.28 1.889079083e+05 5.698398191e+05 7.242790180e+05 1.30 1.486167446e+05 4.909145886e+05 6.378875816e+05 1.32 1.170862646e+05 4.169319249e+05 5.568816838e+05 1.34 9.237048789e+04 3.475152304e+05 4.808617837e+05 1.36 7.296551849e+04 2.823916428e+05 4.094646693e+05 1.38 5.770471208e+04 2.260289302e+05 3.423627142e+05 1.40 4.568339135e+04 1.811570643e+05 2.793052903e+05 1.42 3.620156465e+04 1.453799474e+05 2.249460562e+05 1.44 2.871331234e+04 1.168079837e+05 1.814032606e+05 1.46 2.279132735e+04 9.395802040e+04 1.464725801e+05 1.48 1.810313372e+04 7.565977808e+04 1.184052523e+05 1.50 1.438780663e+04 6.098569877e+04 9.581987126e+04 1.52 1.144100633e+04 4.920259383e+04 7.761911847e+04 1.54 9.101996771e+03 3.973055310e+04 6.293462201e+04 1.56 7.243585527e+03 3.210744283e+04 5.107395935e+04 1.58 5.766000672e+03 2.596468796e+04 4.148177148e+04 1.60 4.590606318e+03 2.100959404e+04 3.371444981e+04 1.62 3.655108711e+03 1.700936279e+04 2.741938893e+04 1.64 2.910214103e+03 1.377745932e+04 2.231260653e+04 1.66 2.316917572e+03 1.116393088e+04 1.816581819e+04 1.68 1.844249649e+03 9.048581679e+03 1.479631479e+04 1.70 1.467613526e+03 7.335622031e+03 1.205671495e+04 1.72 1.167510612e+03 5.947961085e+03 9.827672386e+03 1.74 9.284158377e+02 4.823371801e+03 8.012972216e+03 1.76 7.379573851e+02 3.911615934e+03 6.534941827e+03 1.78 5.862663372e+02 3.172242189e+03 5.330638276e+03 1.80 4.654743741e+02 2.572517227e+03 4.348812329e+03 1.82 3.693170660e+02 2.085917908e+03 3.547866342e+03 1.84 2.927877732e+02 1.691077348e+03 2.894349917e+03 1.86 2.318811329e+02 1.370688153e+03 2.361051882e+03 1.88 1.834295751e+02 1.110717394e+03 1.925811750e+03 1.90 1.448999842e+02 8.997333066e+02 1.570488101e+03 1.92 1.142742129e+02 7.285041408e+02 1.280372368e+03 1.94 8.994408902e+01 5.895682907e+02 1.043518512e+03 1.96 7.062545688e+01 4.768642257e+02 8.501727502e+02 1.98 5.529323663e+01 3.854654863e+02 6.923684423e+02 2.00 4.312860501e+01 3.113639164e+02 5.635956408e+02 2.02 3.347464494e+01 2.512856214e+02 4.585286769e+02 2.04 2.581485811e+01 2.025946218e+02 3.728159116e+02 2.06 1.973847093e+01 1.631506222e+02 3.028923598e+02 2.08 1.491683426e+01 1.312121475e+02 2.458707642e+02 2.10 1.108979160e+01 1.053586814e+02 1.993897540e+02 2.12 8.051033444e+00 8.443928448e+01 1.615170010e+02 2.14 5.636615098e+00 6.751970116e+01 1.306675467e+02 2.16 3.716371625e+00 5.383838008e+01 1.055370146e+02 2.18 2.187101118e+00 4.277993742e+01 8.507537280e+01 2.20 9.671073673e-01 3.384306580e+01 6.842430124e+01 2.22 -8.177558759e-03 2.662150747e+01 5.488108749e+01 2.24 -7.897011503e-01 2.078753161e+01 4.387093103e+01 2.26 -1.417598445e+00 1.607391145e+01 3.492382396e+01 2.28 -1.923437094e+00 1.226505220e+01 2.765569222e+01 2.30 -2.332009964e+00 9.186949277e+00 2.175291133e+01 2.32 -2.662764326e+00 6.698602491e+00 1.695906285e+01 2.34 -2.930939465e+00 4.685892335e+00 1.306552831e+01 2.36 -3.148484227e+00 3.056579973e+00 9.902787344e+00 2.38 -3.324728351e+00 1.736209094e+00 7.332832241e+00 2.40 -3.466969003e+00 6.647554684e-01 5.243423131e+00 2.42 -3.580939129e+00 -2.061022089e-01 3.543085123e+00 2.44 -3.671147048e+00 -9.152090496e-01 2.157890791e+00 2.46 -3.741161487e+00 -1.493791571e+00 1.028099129e+00 2.48 -3.793796658e+00 -1.966835763e+00 1.053128621e-01 2.50 -3.831320450e+00 -2.354315610e+00 -6.496241320e-01 2.52 -3.855589853e+00 -2.672211362e+00 -1.268350967e+00 2.54 -3.868115063e+00 -2.933294951e+00 -1.776482182e+00 2.56 -3.870155187e+00 -3.147766496e+00 -2.194556673e+00 2.58 -3.862787445e+00 -3.323769280e+00 -2.539051556e+00 2.60 -3.846942144e+00 -3.467805600e+00 -2.823237677e+00 2.62 -3.823436574e+00 -3.585071903e+00 -3.057793779e+00 2.64 -3.793000534e+00 -3.679728264e+00 -3.251307428e+00 2.66 -3.756295367e+00 -3.755114531e+00 -3.410682910e+00 2.68 -3.713928024e+00 -3.813923232e+00 -3.541472754e+00 2.70 -3.666449555e+00 -3.858333102e+00 -3.648133130e+00 2.72 -3.614373932e+00 -3.890120621e+00 -3.734254192e+00 2.74 -3.558195294e+00 -3.910753051e+00 -3.802749888e+00 2.76 -3.498380036e+00 -3.921453733e+00 -3.855986369e+00 2.78 -3.435369332e+00 -3.923255658e+00 -3.895895602e+00 2.80 -3.369580835e+00 -3.917043332e+00 -3.924066351e+00 2.82 -3.301408306e+00 -3.903559957e+00 -3.941815748e+00 2.84 -3.231191332e+00 -3.883431395e+00 -3.950224532e+00 2.86 -3.159266020e+00 -3.857243885e+00 -3.950214348e+00 2.88 -3.085961417e+00 -3.825537912e+00 -3.942584852e+00 2.90 -3.011586603e+00 -3.788809180e+00 -3.928033264e+00 2.92 -2.936431027e+00 -3.747516930e+00 -3.907176075e+00 2.94 -2.860764845e+00 -3.702090139e+00 -3.880565903e+00 2.96 -2.784839316e+00 -3.652861432e+00 -3.848704505e+00 2.98 -2.708883844e+00 -3.600132577e+00 -3.812052725e+00 3.00 -2.633070415e+00 -3.544255929e+00 -3.771038047e+00 3.02 -2.557558897e+00 -3.485566344e+00 -3.726060256e+00 3.04 -2.482403854e+00 -3.424382412e+00 -3.677495651e+00 3.06 -2.407747657e+00 -3.361007317e+00 -3.625700129e+00 3.08 -2.333736333e+00 -3.295729446e+00 -3.571011409e+00 3.10 -2.260500926e+00 -3.228822811e+00 -3.513748121e+00 3.12 -2.188134832e+00 -3.160547361e+00 -3.454166546e+00 3.14 -2.116721941e+00 -3.091149223e+00 -3.392534625e+00 3.16 -2.046335069e+00 -3.020860909e+00 -3.329124378e+00 3.18 -1.977060130e+00 -2.949901519e+00 -3.264194481e+00 3.20 -1.908973170e+00 -2.878476944e+00 -3.197990548e+00 3.22 -1.842140557e+00 -2.806780101e+00 -3.130745361e+00 3.24 -1.776619594e+00 -2.734991181e+00 -3.062679050e+00 3.26 -1.712459109e+00 -2.663277939e+00 -2.993979337e+00 3.28 -1.649700038e+00 -2.591796007e+00 -2.924707970e+00 3.30 -1.588375982e+00 -2.520670901e+00 -2.855020195e+00 3.32 -1.528513754e+00 -2.450007192e+00 -2.785084202e+00 3.34 -1.470133896e+00 -2.379926724e+00 -2.715057401e+00 3.36 -1.413251180e+00 -2.310541153e+00 -2.645086671e+00 3.38 -1.357875082e+00 -2.241952062e+00 -2.575308632e+00 3.40 -1.304010236e+00 -2.174251393e+00 -2.505849942e+00 3.42 -1.251656863e+00 -2.107521892e+00 -2.436827607e+00 3.44 -1.200811178e+00 -2.041837562e+00 -2.368349314e+00 3.46 -1.151465774e+00 -1.977242055e+00 -2.300513771e+00 3.48 -1.103609977e+00 -1.913708003e+00 -2.233411067e+00 3.50 -1.057230190e+00 -1.851277741e+00 -2.167123036e+00 3.52 -1.012310207e+00 -1.789995537e+00 -2.101723625e+00 3.54 -9.688315067e-01 -1.729899505e+00 -2.037279270e+00 3.56 -9.267735271e-01 -1.671021991e+00 -1.973849274e+00 3.58 -8.861139235e-01 -1.613389951e+00 -1.911486177e+00 3.60 -8.468288026e-01 -1.557025314e+00 -1.850236130e+00 3.62 -8.088929419e-01 -1.501945339e+00 -1.790139260e+00 3.64 -7.722799914e-01 -1.448162950e+00 -1.731230032e+00 3.66 -7.369626594e-01 -1.395687064e+00 -1.673537596e+00 3.68 -7.029128824e-01 -1.344522905e+00 -1.617086134e+00 3.70 -6.701019819e-01 -1.294672297e+00 -1.561895187e+00 3.72 -6.385008062e-01 -1.246133950e+00 -1.507979981e+00 3.74 -6.080798607e-01 -1.198903726e+00 -1.455351733e+00 3.76 -5.788094257e-01 -1.152974899e+00 -1.404017951e+00 3.78 -5.506596630e-01 -1.108338389e+00 -1.353982713e+00 3.80 -5.236007129e-01 -1.064982993e+00 -1.305244236e+00 3.82 -4.976027802e-01 -1.022895598e+00 -1.257784228e+00 3.84 -4.726362128e-01 -9.820613769e-01 -1.211595920e+00 3.86 -4.486715702e-01 -9.424639830e-01 -1.166672969e+00 3.88 -4.256796861e-01 -9.040857197e-01 -1.123006837e+00 3.90 -4.036317224e-01 -8.669077065e-01 -1.080586994e+00 3.92 -3.824992174e-01 -8.309100310e-01 -1.039401113e+00 3.94 -3.622541277e-01 -7.960718902e-01 -9.994352565e-01 3.96 -3.428688644e-01 -7.623717220e-01 -9.606740446e-01 3.98 -3.243163244e-01 -7.297873263e-01 -9.231008189e-01 4.00 -3.065699170e-01 -6.982959777e-01 -8.866719963e-01 4.02 -2.896035861e-01 -6.678745281e-01 -8.513384446e-01 4.04 -2.733918282e-01 -6.384995026e-01 -8.170820649e-01 4.06 -2.579097076e-01 -6.101471858e-01 -7.838841155e-01 4.08 -2.431328678e-01 -5.827937020e-01 -7.517252441e-01 4.10 -2.290375400e-01 -5.564150879e-01 -7.205855847e-01 4.12 -2.156005490e-01 -5.309873589e-01 -6.904448482e-01 4.14 -2.027993171e-01 -5.064865692e-01 -6.612824061e-01 4.16 -1.906118652e-01 -4.828888658e-01 -6.330773668e-01 4.18 -1.790168122e-01 -4.601705383e-01 -6.058086466e-01 4.20 -1.679933733e-01 -4.383080621e-01 -5.794550348e-01 4.22 -1.575213556e-01 -4.172781385e-01 -5.539952524e-01 4.24 -1.475811538e-01 -3.970577294e-01 -5.294080070e-01 4.26 -1.381537429e-01 -3.776240884e-01 -5.056720418e-01 4.28 -1.292206719e-01 -3.589547885e-01 -4.827661803e-01 4.30 -1.207640549e-01 -3.410277454e-01 -4.606693672e-01 4.32 -1.127665622e-01 -3.238212389e-01 -4.393607046e-01 4.34 -1.052114109e-01 -3.073139304e-01 -4.188194850e-01 4.36 -9.808235430e-02 -2.914848780e-01 -3.990252208e-01 4.38 -9.136367117e-02 -2.763135494e-01 -3.799576704e-01 4.40 -8.504015483e-02 -2.617798321e-01 -3.615968610e-01 4.42 -7.909710152e-02 -2.478640418e-01 -3.439231096e-01 4.44 -7.352029876e-02 -2.345469290e-01 -3.269170405e-01 4.46 -6.829601345e-02 -2.218096833e-01 -3.105596005e-01 4.48 -6.341097983e-02 -2.096339368e-01 -2.948320728e-01 4.50 -5.885238740e-02 -1.980017658e-01 -2.797160873e-01 4.52 -5.460786881e-02 -1.868956912e-01 -2.651936307e-01 4.54 -5.066548780e-02 -1.762986776e-01 -2.512470538e-01 4.56 -4.701372746e-02 -1.661941317e-01 -2.378590774e-01 4.58 -4.364147798e-02 -1.565658993e-01 -2.250127973e-01 4.60 -4.053718880e-02 -1.473982620e-01 -2.126916871e-01 4.62 -3.764798082e-02 -1.386759326e-01 -2.008796005e-01 4.64 -3.494207446e-02 -1.303840502e-01 -1.895607725e-01 4.66 -3.241262598e-02 -1.224983475e-01 -1.787198189e-01 4.68 -3.005293829e-02 -1.149913056e-01 -1.683417359e-01 4.70 -2.785667151e-02 -1.078501014e-01 -1.584118980e-01 4.72 -2.581775652e-02 -1.010623935e-01 -1.489160557e-01 4.74 -2.393032237e-02 -9.461620654e-02 -1.398403325e-01 4.76 -2.218866330e-02 -8.849992383e-02 -1.311712209e-01 4.78 -2.058707438e-02 -8.270228030e-02 -1.228955785e-01 4.80 -1.911832866e-02 -7.721235505e-02 -1.150006234e-01 4.82 -1.774519294e-02 -7.201956391e-02 -1.074739287e-01 4.84 -1.645293824e-02 -6.711365178e-02 -1.003034176e-01 4.86 -1.523863923e-02 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