# 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 = Au3Ni # 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 5.667240113e+06 nan nan 0.80 5.129557493e+06 nan nan 0.82 4.643779999e+06 nan nan 0.84 4.203874640e+06 nan nan 0.86 3.804631406e+06 5.439203454e+06 nan 0.88 3.441511970e+06 4.964576132e+06 5.554266370e+06 0.90 3.110576560e+06 4.531818016e+06 5.082303473e+06 0.92 2.808394049e+06 4.136487234e+06 4.651097245e+06 0.94 2.531983362e+06 3.774663622e+06 4.256411936e+06 0.96 2.278693757e+06 3.442937328e+06 3.894466806e+06 0.98 2.046222336e+06 3.138264827e+06 3.561994701e+06 1.00 1.832505550e+06 2.857967213e+06 3.256076402e+06 1.02 1.635729201e+06 2.599698510e+06 2.974165790e+06 1.04 1.454283270e+06 2.361404498e+06 2.713982214e+06 1.06 1.286755420e+06 2.141237824e+06 2.473544575e+06 1.08 1.131874046e+06 1.937562164e+06 2.251068544e+06 1.10 9.884996279e+05 1.748867369e+06 2.044930376e+06 1.12 8.556242252e+05 1.573838045e+06 1.853671906e+06 1.14 7.323262334e+05 1.411292577e+06 1.676001800e+06 1.16 6.177881872e+05 1.260149654e+06 1.510746916e+06 1.18 5.112708780e+05 1.119462531e+06 1.356887533e+06 1.20 4.121045612e+05 9.883670326e+05 1.213481447e+06 1.22 3.223318659e+05 8.660731352e+05 1.079688398e+06 1.24 2.513709429e+05 7.518941555e+05 9.547491161e+05 1.26 1.963663729e+05 6.452090592e+05 8.379637787e+05 1.28 1.536411313e+05 5.454457106e+05 7.287014998e+05 1.30 1.203870352e+05 4.520508952e+05 6.263934665e+05 1.32 9.445770925e+04 3.646570443e+05 5.305003375e+05 1.34 7.420771981e+04 2.900484361e+05 4.405510872e+05 1.36 5.836758187e+04 2.310233440e+05 3.564210777e+05 1.38 4.595635387e+04 1.842663187e+05 2.853170144e+05 1.40 3.621798348e+04 1.471589686e+05 2.287085318e+05 1.42 2.856772926e+04 1.176648767e+05 1.835702075e+05 1.44 2.255077303e+04 9.418608524e+04 1.475211812e+05 1.46 1.781217381e+04 7.547021009e+04 1.186899867e+05 1.48 1.407614251e+04 6.053237066e+04 9.559395712e+04 1.50 1.112818146e+04 4.859357122e+04 7.706711649e+04 1.52 8.800562151e+03 3.903952363e+04 6.218830685e+04 1.54 6.961643121e+03 3.138635077e+04 5.022594975e+04 1.56 5.507653880e+03 2.524975322e+04 4.059761785e+04 1.58 4.357317522e+03 2.032447802e+04 3.283797848e+04 1.60 3.446932256e+03 1.636839508e+04 2.657656343e+04 1.62 2.726297691e+03 1.318852249e+04 2.152022577e+04 1.64 2.155788332e+03 1.063046969e+04 1.743358741e+04 1.66 1.704091487e+03 8.570729337e+03 1.412795907e+04 1.68 1.346449542e+03 6.910801969e+03 1.145258552e+04 1.70 1.063254567e+03 5.572587026e+03 9.286212118e+03 1.72 8.390481555e+02 4.493446993e+03 7.530929008e+03 1.74 6.615961840e+02 3.622925885e+03 6.108023745e+03 1.76 5.212073134e+02 2.920517467e+03 4.954199586e+03 1.78 4.101971053e+02 2.353727372e+03 4.018335871e+03 1.80 3.224674838e+02 1.896373550e+03 3.259010585e+03 1.82 2.531724706e+02 1.527347771e+03 2.642758108e+03 1.84 1.984644773e+02 1.229624683e+03 2.142585868e+03 1.86 1.552935634e+02 9.894665981e+02 1.736563220e+03 1.88 1.212533541e+02 7.957834231e+02 1.406974039e+03 1.90 9.443406149e+01 6.395627242e+02 1.139379312e+03 1.92 7.332292560e+01 5.135791295e+02 9.221318753e+02 1.94 5.672104709e+01 4.120265517e+02 7.458155113e+02 1.96 4.367736388e+01 3.302033819e+02 6.027712222e+02 1.98 3.343807637e+01 2.643156384e+02 4.867685220e+02 2.00 2.540610589e+01 2.112917088e+02 3.927349251e+02 2.02 1.910839298e+01 1.686375460e+02 3.165415354e+02 2.04 1.417264756e+01 1.343499585e+02 2.548380155e+02 2.06 1.030519161e+01 1.068101222e+02 2.048990859e+02 2.08 7.273913825e+00 8.470825333e+01 1.645074172e+02 2.10 4.896793018e+00 6.698515738e+01 1.318593820e+02 2.12 3.030833554e+00 5.278440128e+01 1.054883066e+02 2.14 1.564184281e+00 4.141451682e+01 8.419851203e+01 2.16 4.094179317e-01 3.231786960e+01 6.701186502e+01 2.18 -5.017953214e-01 2.504473064e+01 5.314807053e+01 2.20 -1.222825887e+00 1.923140034e+01 4.197287677e+01 2.22 -1.795254410e+00 1.458589154e+01 3.297226756e+01 2.24 -2.251392156e+00 1.087494097e+01 2.572872724e+01 2.26 -2.616281854e+00 7.910085257e+00 1.990327209e+01 2.28 -2.909283226e+00 5.540888664e+00 1.522096781e+01 2.30 -3.145326861e+00 3.647212189e+00 1.145908019e+01 2.32 -3.335903552e+00 2.132720682e+00 8.437135778e+00 2.34 -3.489842949e+00 9.203054851e-01 6.009513868e+00 2.36 -3.613924638e+00 -5.163514979e-02 4.058897461e+00 2.38 -3.713356200e+00 -8.322158634e-01 2.490725864e+00 2.40 -3.792145866e+00 -1.460513381e+00 1.228906173e+00 2.42 -3.853379473e+00 -1.967550663e+00 2.123132616e-01 2.44 -3.899443397e+00 -2.377907768e+00 -6.080762561e-01 2.46 -3.932213815e+00 -2.711024933e+00 -1.271485596e+00 2.48 -3.953158421e+00 -2.982199158e+00 -1.809204251e+00 2.50 -3.963482251e+00 -3.203462415e+00 -2.246183108e+00 2.52 -3.964205786e+00 -3.384272041e+00 -2.602279003e+00 2.54 -3.956169499e+00 -3.532049711e+00 -2.893270176e+00 2.56 -3.940105494e+00 -3.652604995e+00 -3.131604748e+00 2.58 -3.916679885e+00 -3.750484802e+00 -3.327123624e+00 2.60 -3.886498894e+00 -3.829257194e+00 -3.487616008e+00 2.62 -3.850124387e+00 -3.891728187e+00 -3.619238775e+00 2.64 -3.808084680e+00 -3.940113361e+00 -3.726854640e+00 2.66 -3.760881811e+00 -3.976173267e+00 -3.814304142e+00 2.68 -3.708996238e+00 -4.001319772e+00 -3.884623776e+00 2.70 -3.652885270e+00 -4.016699146e+00 -3.940220368e+00 2.72 -3.592964283e+00 -4.023256594e+00 -3.983009982e+00 2.74 -3.529653544e+00 -4.021786030e+00 -4.014528133e+00 2.76 -3.463361952e+00 -4.012968178e+00 -4.036016844e+00 2.78 -3.394481957e+00 -3.997399451e+00 -4.048493053e+00 2.80 -3.323389133e+00 -3.975613616e+00 -4.052802078e+00 2.82 -3.250425246e+00 -3.948096337e+00 -4.049639222e+00 2.84 -3.175873466e+00 -3.915266213e+00 -4.039562967e+00 2.86 -3.100035946e+00 -3.877532604e+00 -4.023090907e+00 2.88 -3.023213232e+00 -3.835297132e+00 -4.000699305e+00 2.90 -2.945687723e+00 -3.788944476e+00 -3.972823527e+00 2.92 -2.867723657e+00 -3.738844918e+00 -3.939868120e+00 2.94 -2.789567216e+00 -3.685355861e+00 -3.902214134e+00 2.96 -2.711446742e+00 -3.628738550e+00 -3.860224312e+00 2.98 -2.633573065e+00 -3.569229101e+00 -3.814246657e+00 3.00 -2.556139918e+00 -3.507114130e+00 -3.764616773e+00 3.02 -2.479297746e+00 -3.442689505e+00 -3.711659302e+00 3.04 -2.403065966e+00 -3.376243524e+00 -3.655688707e+00 3.06 -2.327569157e+00 -3.308052468e+00 -3.597009585e+00 3.08 -2.252938685e+00 -3.238380384e+00 -3.535916679e+00 3.10 -2.179292705e+00 -3.167478882e+00 -3.472694681e+00 3.12 -2.106736802e+00 -3.095586975e+00 -3.407617935e+00 3.14 -2.035346333e+00 -3.022930963e+00 -3.340950079e+00 3.16 -1.965172069e+00 -2.949724397e+00 -3.272943701e+00 3.18 -1.896285339e+00 -2.876168087e+00 -3.203840013e+00 3.20 -1.828748264e+00 -2.802450198e+00 -3.133868586e+00 3.22 -1.762613848e+00 -2.728746391e+00 -3.063247144e+00 3.24 -1.697926595e+00 -2.655220038e+00 -2.992181437e+00 3.26 -1.634723111e+00 -2.582022479e+00 -2.920841618e+00 3.28 -1.573032693e+00 -2.509293335e+00 -2.849251660e+00 3.30 -1.512877885e+00 -2.437160860e+00 -2.777548624e+00 3.32 -1.454275024e+00 -2.365742322e+00 -2.705887096e+00 3.34 -1.397234748e+00 -2.295144422e+00 -2.634411051e+00 3.36 -1.341762494e+00 -2.225463728e+00 -2.563254087e+00 3.38 -1.287858954e+00 -2.156787124e+00 -2.492539699e+00 3.40 -1.235520525e+00 -2.089192281e+00 -2.422381582e+00 3.42 -1.184739715e+00 -2.022748122e+00 -2.352883964e+00 3.44 -1.135505538e+00 -1.957515293e+00 -2.284138845e+00 3.46 -1.087803876e+00 -1.893522307e+00 -2.216215702e+00 3.48 -1.041617825e+00 -1.830721292e+00 -2.149189899e+00 3.50 -9.969280100e-01 -1.769143277e+00 -2.083131401e+00 3.52 -9.537128820e-01 -1.708822574e+00 -2.018102659e+00 3.54 -9.119489945e-01 -1.649787777e+00 -1.954158998e+00 3.56 -8.716112578e-01 -1.592062150e+00 -1.891349016e+00 3.58 -8.326731736e-01 -1.535664002e+00 -1.829714960e+00 3.60 -7.951070527e-01 -1.480607047e+00 -1.769293117e+00 3.62 -7.588842134e-01 -1.426900752e+00 -1.710114176e+00 3.64 -7.239751644e-01 -1.374550669e+00 -1.652203599e+00 3.66 -6.903497721e-01 -1.323558754e+00 -1.595581968e+00 3.68 -6.579774124e-01 -1.273923668e+00 -1.540265331e+00 3.70 -6.268271097e-01 -1.225641064e+00 -1.486265522e+00 3.72 -5.968676620e-01 -1.178703858e+00 -1.433590488e+00 3.74 -5.680677548e-01 -1.133102488e+00 -1.382244578e+00 3.76 -5.403960634e-01 -1.088825155e+00 -1.332228843e+00 3.78 -5.138213448e-01 -1.045858048e+00 -1.283541302e+00 3.80 -4.883125196e-01 -1.004185562e+00 -1.236177208e+00 3.82 -4.638387456e-01 -9.637904939e-01 -1.190129292e+00 3.84 -4.403694826e-01 -9.246542311e-01 -1.145387999e+00 3.86 -4.178745495e-01 -8.867569249e-01 -1.101941708e+00 3.88 -3.963241743e-01 -8.500776523e-01 -1.059776935e+00 3.90 -3.756890385e-01 -8.145945662e-01 -1.018878535e+00 3.92 -3.559403139e-01 -7.802850345e-01 -9.792298776e-01 3.94 -3.370496955e-01 -7.471257688e-01 -9.408130226e-01 3.96 -3.189894285e-01 -7.150929425e-01 -9.036088761e-01 3.98 -3.017323311e-01 -6.841623007e-01 -8.675973402e-01 4.00 -2.852518128e-01 -6.543092595e-01 -8.327306075e-01 4.02 -2.695218897e-01 -6.255089983e-01 -7.989555707e-01 4.04 -2.545171952e-01 -5.977365433e-01 -7.662517718e-01 4.06 -2.402129891e-01 -5.709668439e-01 -7.345983078e-01 4.08 -2.265851621e-01 -5.451748422e-01 -7.039738500e-01 4.10 -2.136102400e-01 -5.203355355e-01 -6.743567308e-01 4.12 -2.012653832e-01 -4.964240334e-01 -6.457250249e-01 4.14 -1.895283865e-01 -4.734156084e-01 -6.180566233e-01 4.16 -1.783776754e-01 -4.512857419e-01 -5.913293010e-01 4.18 -1.677923019e-01 -4.300101649e-01 -5.655207792e-01 4.20 -1.577519381e-01 -4.095648943e-01 -5.406087815e-01 4.22 -1.482368694e-01 -3.899156439e-01 -5.165710856e-01 4.24 -1.392279858e-01 -3.710285427e-01 -4.933855693e-01 4.26 -1.307067728e-01 -3.528814577e-01 -4.710302527e-01 4.28 -1.226553015e-01 -3.354526277e-01 -4.494833360e-01 4.30 -1.150562178e-01 -3.187206794e-01 -4.287232330e-01 4.32 -1.078927310e-01 -3.026646424e-01 -4.087286015e-01 4.34 -1.011483774e-01 -2.872639615e-01 -3.894783700e-01 4.36 -9.478199829e-02 -2.724985070e-01 -3.709517609e-01 4.38 -8.876241181e-02 -2.583485824e-01 -3.531283118e-01 4.40 -8.307679856e-02 -2.447949310e-01 -3.359878927e-01 4.42 -7.771276966e-02 -2.318187400e-01 -3.195107221e-01 4.44 -7.265835581e-02 -2.194016437e-01 -3.036773797e-01 4.46 -6.790199640e-02 -2.075257243e-01 -2.884688177e-01 4.48 -6.343252845e-02 -1.961735129e-01 -2.738663696e-01 4.50 -5.923917576e-02 -1.853279878e-01 -2.598517576e-01 4.52 -5.531153816e-02 -1.749725727e-01 -2.464070985e-01 4.54 -5.163958156e-02 -1.650911336e-01 -2.335149076e-01 4.56 -4.821362507e-02 -1.556679751e-01 -2.211581012e-01 4.58 -4.502433034e-02 -1.466878360e-01 -2.093199991e-01 4.60 -4.206185817e-02 -1.381358834e-01 -1.979843239e-01 4.62 -3.927496303e-02 -1.299977078e-01 -1.871352013e-01 4.64 -3.663346402e-02 -1.222593162e-01 -1.767571582e-01 4.66 -3.413206203e-02 -1.149071255e-01 -1.668351202e-01 4.68 -3.176538385e-02 -1.079279554e-01 -1.573544092e-01 4.70 -2.952855495e-02 -1.013090211e-01 -1.483007389e-01 4.72 -2.741698511e-02 -9.503792563e-02 -1.396602110e-01 4.74 -2.542619053e-02 -8.910265161e-02 -1.314193103e-01 4.76 -2.355176343e-02 -8.349155358e-02 -1.235648992e-01 4.78 -2.178925448e-02 -7.819335016e-02 -1.160842123e-01 4.80 -2.013458742e-02 -7.319711471e-02 -1.089648502e-01 4.82 -1.858384317e-02 -6.849226673e-02 -1.021947730e-01 4.84 -1.713321866e-02 -6.406856436e-02 -9.576229421e-02 4.86 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