# 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 = Au3Cu # 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 3.403014345e+02 nan nan 1.16 3.132375153e+02 nan nan 1.18 2.883719167e+02 nan nan 1.20 2.655050322e+02 nan nan 1.22 2.444604352e+02 nan nan 1.24 2.250821497e+02 nan nan 1.26 2.072299694e+02 nan nan 1.28 1.907753099e+02 2.951799024e+02 3.383527382e+02 1.30 1.755991301e+02 2.735591345e+02 3.142108942e+02 1.32 1.615918450e+02 2.535366081e+02 2.918327679e+02 1.34 1.486541470e+02 2.349877591e+02 2.710723966e+02 1.36 1.366971444e+02 2.177960114e+02 2.517981032e+02 1.38 1.256411751e+02 2.018521450e+02 2.338915527e+02 1.40 1.154140639e+02 1.870550521e+02 2.172461002e+02 1.42 1.059498408e+02 1.733124053e+02 2.017650744e+02 1.44 9.718817892e+01 1.605409649e+02 1.873605903e+02 1.46 8.907401329e+01 1.486664059e+02 1.739528193e+02 1.48 8.155679063e+01 1.376222933e+02 1.614690664e+02 1.50 7.458946844e+01 1.273483075e+02 1.498424302e+02 1.52 6.812784912e+01 1.177884637e+02 1.390105177e+02 1.54 6.213057544e+01 1.088899917e+02 1.289147401e+02 1.56 5.655954107e+01 1.006029629e+02 1.195002965e+02 1.58 5.138808005e+01 9.288040888e+01 1.107164867e+02 1.60 4.662336784e+01 8.567869754e+01 1.025168537e+02 1.62 4.223902608e+01 7.895794517e+01 9.485899915e+01 1.64 3.820642854e+01 7.268220698e+01 8.770430568e+01 1.66 3.449967226e+01 6.681931924e+01 8.101773716e+01 1.68 3.109455491e+01 6.134047192e+01 7.476754959e+01 1.70 2.796801736e+01 5.621969546e+01 6.892469392e+01 1.72 2.509808922e+01 5.143868052e+01 6.346203183e+01 1.74 2.246415086e+01 4.700703043e+01 5.835374577e+01 1.76 2.004721114e+01 4.290823384e+01 5.357517116e+01 1.78 1.782999259e+01 3.911912887e+01 4.912267497e+01 1.80 1.579679753e+01 3.561767825e+01 4.499336049e+01 1.82 1.393325415e+01 3.238269869e+01 4.116304422e+01 1.84 1.222606503e+01 2.939392307e+01 3.760974311e+01 1.86 1.066284407e+01 2.663226734e+01 3.431360698e+01 1.88 9.232071089e+00 2.408009357e+01 3.125667674e+01 1.90 7.923127325e+00 2.172133181e+01 2.842257963e+01 1.92 6.726328492e+00 1.954144018e+01 2.579618929e+01 1.94 5.632887611e+00 1.752725448e+01 2.336335216e+01 1.96 4.634805215e+00 1.566679181e+01 2.111074038e+01 1.98 3.724737276e+00 1.394905728e+01 1.902580953e+01 2.00 2.895893543e+00 1.236388101e+01 1.709679244e+01 2.02 2.141984012e+00 1.090179649e+01 1.531267716e+01 2.04 1.457196423e+00 9.553959885e+00 1.366316318e+01 2.06 8.361766866e-01 8.312103100e+00 1.213861646e+01 2.08 2.739944111e-01 7.168508309e+00 1.073004072e+01 2.10 -2.339083946e-01 6.115991871e+00 9.429064918e+00 2.12 -6.917765830e-01 5.147888466e+00 8.227935068e+00 2.14 -1.103596073e+00 4.258030263e+00 7.119496429e+00 2.16 -1.473130856e+00 3.440719125e+00 6.097157407e+00 2.18 -1.803935872e+00 2.690693041e+00 5.154835558e+00 2.20 -2.099347432e+00 2.003090442e+00 4.286894014e+00 2.22 -2.362461314e+00 1.373416596e+00 3.488081205e+00 2.24 -2.596112048e+00 7.975142809e-01 2.753485766e+00 2.26 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2.62 -3.738800459e+00 -3.751759218e+00 -3.527415679e+00 2.64 -3.699437811e+00 -3.795315740e+00 -3.615913898e+00 2.66 -3.654917852e+00 -3.829295937e+00 -3.691308717e+00 2.68 -3.605915985e+00 -3.854791616e+00 -3.754592456e+00 2.70 -3.553100224e+00 -3.872655279e+00 -3.806661118e+00 2.72 -3.497109202e+00 -3.883646053e+00 -3.848328238e+00 2.74 -3.438530431e+00 -3.887990325e+00 -3.880348249e+00 2.76 -3.377883991e+00 -3.885909503e+00 -3.903639338e+00 2.78 -3.315614349e+00 -3.877652857e+00 -3.918792095e+00 2.80 -3.252089989e+00 -3.863486337e+00 -3.926438395e+00 2.82 -3.187608695e+00 -3.843683233e+00 -3.926885600e+00 2.84 -3.122406156e+00 -3.818508750e+00 -3.920437796e+00 2.86 -3.056666154e+00 -3.788232502e+00 -3.907487731e+00 2.88 -2.990531314e+00 -3.753149235e+00 -3.888500822e+00 2.90 -2.924113704e+00 -3.713563021e+00 -3.863992549e+00 2.92 -2.857504707e+00 -3.669784865e+00 -3.834488857e+00 2.94 -2.790783668e+00 -3.622136517e+00 -3.800496988e+00 2.96 -2.724024927e+00 -3.570954003e+00 -3.762519901e+00 2.98 -2.657303055e+00 -3.516590395e+00 -3.721026785e+00 3.00 -2.590696229e+00 -3.459417048e+00 -3.676428677e+00 3.02 -2.524287834e+00 -3.399822272e+00 -3.629080015e+00 3.04 -2.458166537e+00 -3.338206403e+00 -3.579286693e+00 3.06 -2.392425163e+00 -3.274972825e+00 -3.527316867e+00 3.08 -2.327158797e+00 -3.210515454e+00 -3.473411588e+00 3.10 -2.262462559e+00 -3.145204488e+00 -3.417793351e+00 3.12 -2.198429418e+00 -3.079372957e+00 -3.360671623e+00 3.14 -2.135148324e+00 -3.013306679e+00 -3.302245240e+00 3.16 -2.072702802e+00 -2.947239277e+00 -3.242702214e+00 3.18 -2.011169996e+00 -2.881352640e+00 -3.182217836e+00 3.20 -1.950620120e+00 -2.815781884e+00 -3.120952235e+00 3.22 -1.891116154e+00 -2.750623196e+00 -3.059048409e+00 3.24 -1.832713718e+00 -2.685942823e+00 -2.996631522e+00 3.26 -1.775460997e+00 -2.621785851e+00 -2.933809796e+00 3.28 -1.719398717e+00 -2.558183911e+00 -2.870676898e+00 3.30 -1.664560143e+00 -2.495161434e+00 -2.807315433e+00 3.32 -1.610971137e+00 -2.432740393e+00 -2.743800991e+00 3.34 -1.558650297e+00 -2.370943622e+00 -2.680206239e+00 3.36 -1.507609210e+00 -2.309796892e+00 -2.616604670e+00 3.38 -1.457852794e+00 -2.249329908e+00 -2.553073739e+00 3.40 -1.409379753e+00 -2.189576426e+00 -2.489697268e+00 3.42 -1.362183104e+00 -2.130573663e+00 -2.426567038e+00 3.44 -1.316250730e+00 -2.072361208e+00 -2.363783501e+00 3.46 -1.271565943e+00 -2.014979617e+00 -2.301455526e+00 3.48 -1.228108004e+00 -1.958468888e+00 -2.239699069e+00 3.50 -1.185852573e+00 -1.902866978e+00 -2.178634689e+00 3.52 -1.144772078e+00 -1.848208483e+00 -2.118383954e+00 3.54 -1.104835973e+00 -1.794523581e+00 -2.059064955e+00 3.56 -1.066010923e+00 -1.741837279e+00 -2.000787420e+00 3.58 -1.028260894e+00 -1.690168987e+00 -1.943648019e+00 3.60 -9.915472061e-01 -1.639532424e+00 -1.887726534e+00 3.62 -9.558285683e-01 -1.589935818e+00 -1.833083415e+00 3.64 -9.210611313e-01 -1.541382389e+00 -1.779758967e+00 3.66 -8.871986085e-01 -1.493871077e+00 -1.727774112e+00 3.68 -8.541925038e-01 -1.447397468e+00 -1.677132411e+00 3.70 -8.219924937e-01 -1.401954872e+00 -1.627822880e+00 3.72 -7.905470096e-01 -1.357535474e+00 -1.579823133e+00 3.74 -7.598040652e-01 -1.314131462e+00 -1.533102462e+00 3.76 -7.297123670e-01 -1.271736016e+00 -1.487624593e+00 3.78 -7.002227336e-01 -1.230344010e+00 -1.443350007e+00 3.80 -6.712898237e-01 -1.189952317e+00 -1.400237771e+00 3.82 -6.428741390e-01 -1.150559611e+00 -1.358246945e+00 3.84 -6.149442159e-01 -1.112165645e+00 -1.317337598e+00 3.86 -5.874788644e-01 -1.074770076e+00 -1.277471522e+00 3.88 -5.604692486e-01 -1.038370987e+00 -1.238612681e+00 3.90 -5.339205566e-01 -1.002963338e+00 -1.200727450e+00 3.92 -5.078529840e-01 -9.685375946e-01 -1.163784660e+00 3.94 -4.823017808e-01 -9.350787415e-01 -1.127755506e+00 3.96 -4.573161717e-01 -9.025658119e-01 -1.092613299e+00 3.98 -4.329570996e-01 -8.709719767e-01 -1.058333143e+00 4.00 -4.092938693e-01 -8.402651253e-01 -1.024891524e+00 4.02 -3.863999251e-01 -8.104088270e-01 -9.922658846e-01 4.04 -3.643481113e-01 -7.813635361e-01 -9.604341882e-01 4.06 -3.432058332e-01 -7.530879167e-01 -9.293745336e-01 4.08 -3.230305460e-01 -7.255401955e-01 -8.990648328e-01 4.10 -3.038659664e-01 -6.986794851e-01 -8.694825851e-01 4.12 -2.857393212e-01 -6.724670664e-01 -8.406047642e-01 4.14 -2.686598421e-01 -6.468675817e-01 -8.124078331e-01 4.16 -2.526185894e-01 -6.218501810e-01 -7.848678963e-01 4.18 -2.375895462e-01 -5.973895578e-01 -7.579609917e-01 4.20 -2.235317988e-01 -5.734668495e-01 -7.316635239e-01 4.22 -2.103925317e-01 -5.500703347e-01 -7.059528283e-01 4.24 -1.981104738e-01 -5.271958510e-01 -6.808078496e-01 4.26 -1.866194959e-01 -5.048468497e-01 -6.562099040e-01 4.28 -1.758520351e-01 -4.830340248e-01 -6.321434772e-01 4.30 -1.657421292e-01 -4.617744829e-01 -6.085969947e-01 4.32 -1.562279096e-01 -4.410904700e-01 -5.855634792e-01 4.34 -1.472534725e-01 -4.210077242e-01 -5.630410004e-01 4.36 -1.387701051e-01 -4.015535701e-01 -5.410328161e-01 4.38 -1.307368849e-01 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-6.335782642e-05 -2.448558573e-04 -3.665866047e-04 5.82 -5.487352997e-05 -2.120704039e-04 -3.175005278e-04 5.84 -4.754875847e-05 -1.837652200e-04 -2.751224479e-04 5.86 -4.122221778e-05 -1.593171530e-04 -2.385193374e-04 5.88 -3.575535677e-05 -1.381909027e-04 -2.068897104e-04 5.90 -3.102913757e-05 -1.199265484e-04 -1.795449467e-04 5.92 -2.694126281e-05 -1.041288406e-04 -1.558932582e-04 5.94 -2.340379682e-05 -9.045801298e-05 -1.354259314e-04 5.96 -2.034112548e-05 -7.862190251e-05 -1.177055282e-04 5.98 -1.768820731e-05 -6.836919349e-05 -1.023557707e-04 6.00 -1.538907438e-05 -5.948362671e-05 -8.905286994e-05