# 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 # implementation = 2004--Zhou-X-W--Cu-Ag-Au--LAMMPS--ipr2 # composition = AgAu3 # 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 2022-05-24 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 6.878652226e+02 nan nan 1.02 6.317870053e+02 nan nan 1.04 5.806137628e+02 nan nan 1.06 5.338688696e+02 nan nan 1.08 4.911283381e+02 nan nan 1.10 4.520145675e+02 6.622267764e+02 nan 1.12 4.161901411e+02 6.125678344e+02 6.919418267e+02 1.14 3.833515139e+02 5.668967006e+02 6.412696558e+02 1.16 3.532242768e+02 5.248606308e+02 5.945833767e+02 1.18 3.255604131e+02 4.861408677e+02 5.515342277e+02 1.20 3.001368811e+02 4.504476102e+02 5.118077172e+02 1.22 2.767542755e+02 4.175182912e+02 4.751193401e+02 1.24 2.552342841e+02 3.871158510e+02 4.412115699e+02 1.26 2.354167102e+02 3.590258283e+02 4.098511181e+02 1.28 2.171568354e+02 3.330538153e+02 3.808265623e+02 1.30 2.003231365e+02 3.090240272e+02 3.539462046e+02 1.32 1.847954714e+02 2.867778770e+02 3.290357429e+02 1.34 1.704643604e+02 2.661718443e+02 3.059360178e+02 1.36 1.572309259e+02 2.470751414e+02 2.845019284e+02 1.38 1.450062250e+02 2.293679402e+02 2.646021841e+02 1.40 1.337096686e+02 2.129403243e+02 2.461185668e+02 1.42 1.232673360e+02 1.976918618e+02 2.289440875e+02 1.44 1.136109633e+02 1.835314524e+02 2.129807744e+02 1.46 1.046775989e+02 1.703769117e+02 1.981380291e+02 1.48 9.640936823e+01 1.581538415e+02 1.843318066e+02 1.50 8.875306120e+01 1.467939235e+02 1.714841854e+02 1.52 8.165967371e+01 1.362335750e+02 1.595231563e+02 1.54 7.508413426e+01 1.264132439e+02 1.483823746e+02 1.56 6.898522037e+01 1.172772761e+02 1.380009076e+02 1.58 6.332554933e+01 1.087739194e+02 1.283228771e+02 1.60 5.807145792e+01 1.008553421e+02 1.192970770e+02 1.62 5.319270494e+01 9.347762766e+01 1.108765080e+02 1.64 4.866197618e+01 8.660072539e+01 1.030180166e+02 1.66 4.445425496e+01 8.018822693e+01 9.568200042e+01 1.68 4.054627065e+01 7.420697245e+01 8.883210305e+01 1.70 3.691612847e+01 6.862654160e+01 8.243479872e+01 1.72 3.354321578e+01 6.341880328e+01 7.645890223e+01 1.74 3.040825214e+01 5.855763368e+01 7.087523824e+01 1.76 2.749338115e+01 5.401878536e+01 6.565647098e+01 1.78 2.478222300e+01 4.977978068e+01 6.077705652e+01 1.80 2.225990172e+01 4.581974640e+01 5.621322762e+01 1.82 1.992839730e+01 4.211921792e+01 5.194301291e+01 1.84 1.778453270e+01 3.866003174e+01 4.794620111e+01 1.86 1.581496036e+01 3.542530113e+01 4.420434570e+01 1.88 1.400628994e+01 3.239944272e+01 4.070065885e+01 1.90 1.234591377e+01 2.956820056e+01 3.741980597e+01 1.92 1.082216342e+01 2.691861850e+01 3.434759129e+01 1.94 9.424311175e+00 2.443892960e+01 3.147066098e+01 1.96 8.142536450e+00 2.211853789e+01 2.877630132e+01 1.98 6.967874353e+00 1.995871616e+01 2.625239391e+01 2.00 5.892148155e+00 1.796021698e+01 2.388745528e+01 2.02 4.907893186e+00 1.611324196e+01 2.167084413e+01 2.04 4.008285762e+00 1.440731979e+01 1.960517082e+01 2.06 3.187073064e+00 1.283222530e+01 1.768828007e+01 2.08 2.438503012e+00 1.137832300e+01 1.591057287e+01 2.10 1.757253296e+00 1.003661791e+01 1.426247810e+01 2.12 1.138365520e+00 8.798779125e+00 1.273505812e+01 2.14 5.771811916e-01 7.657130035e+00 1.132009018e+01 2.16 6.929895296e-02 6.604610677e+00 1.001001447e+01 2.18 -3.894483733e-01 5.634730266e+00 8.797880626e+00 2.20 -8.029980976e-01 4.741507764e+00 7.677262935e+00 2.22 -1.175045111e+00 3.919430085e+00 6.642183950e+00 2.24 -1.509026580e+00 3.163413026e+00 5.687027521e+00 2.26 -1.808111968e+00 2.468770190e+00 4.806469103e+00 2.28 -2.075202858e+00 1.831184345e+00 3.995433642e+00 2.30 -2.312941689e+00 1.246678471e+00 3.249084683e+00 2.32 -2.523730503e+00 7.115846945e-01 2.562837183e+00 2.34 -2.709747964e+00 2.225140676e-01 1.932378789e+00 2.36 -2.872975010e+00 -2.236743355e-01 1.353686900e+00 2.38 -3.015216863e+00 -6.299015759e-01 8.230331208e-01 2.40 -3.138127554e+00 -9.988938927e-01 3.369743663e-01 2.42 -3.243225677e+00 -1.333204062e+00 -1.076666579e-01 2.44 -3.331921365e+00 -1.635229278e+00 -5.138274352e-01 2.46 -3.405521547e+00 -1.907226238e+00 -8.842327486e-01 2.48 -3.465305470e+00 -2.151324241e+00 -1.221425611e+00 2.50 -3.512649476e+00 -2.369536957e+00 -1.527781181e+00 2.52 -3.548347455e+00 -2.563772299e+00 -1.805524965e+00 2.54 -3.573116336e+00 -2.735847937e+00 -2.056736926e+00 2.56 -3.587674341e+00 -2.887493946e+00 -2.283351423e+00 2.58 -3.592733537e+00 -3.020365201e+00 -2.487155780e+00 2.60 -3.589000651e+00 -3.136050312e+00 -2.669791236e+00 2.62 -3.577183615e+00 -3.236057187e+00 -2.832758215e+00 2.64 -3.557980967e+00 -3.321807921e+00 -2.977425190e+00 2.66 -3.532089445e+00 -3.394618883e+00 -3.105043458e+00 2.68 -3.500330948e+00 -3.455683840e+00 -3.216756766e+00 2.70 -3.463385456e+00 -3.506185787e+00 -3.313618067e+00 2.72 -3.421824379e+00 -3.547125642e+00 -3.396602731e+00 2.74 -3.376215233e+00 -3.579124286e+00 -3.466622696e+00 2.76 -3.327098979e+00 -3.602687693e+00 -3.524541070e+00 2.78 -3.274981120e+00 -3.618300029e+00 -3.571250722e+00 2.80 -3.220317713e+00 -3.626426065e+00 -3.607750802e+00 2.82 -3.163522414e+00 -3.627517399e+00 -3.634625219e+00 2.84 -3.104970992e+00 -3.622009005e+00 -3.652470136e+00 2.86 -3.045002719e+00 -3.610317992e+00 -3.661942923e+00 2.88 -2.983908973e+00 -3.592835278e+00 -3.663750389e+00 2.90 -2.921947286e+00 -3.569953928e+00 -3.658625514e+00 2.92 -2.859349255e+00 -3.542141089e+00 -3.647312484e+00 2.94 -2.796315863e+00 -3.509693208e+00 -3.630514154e+00 2.96 -2.733026857e+00 -3.472896292e+00 -3.608862444e+00 2.98 -2.669641461e+00 -3.432066605e+00 -3.582940653e+00 3.00 -2.606300453e+00 -3.387551484e+00 -3.553313599e+00 3.02 -2.543128207e+00 -3.339728376e+00 -3.520301769e+00 3.04 -2.480234753e+00 -3.289000336e+00 -3.484167965e+00 3.06 -2.417717785e+00 -3.235787184e+00 -3.445147571e+00 3.08 -2.355664525e+00 -3.180517186e+00 -3.403456095e+00 3.10 -2.294153366e+00 -3.123608668e+00 -3.359295928e+00 3.12 -2.233255264e+00 -3.065447914e+00 -3.312861339e+00 3.14 -2.173034900e+00 -3.006376214e+00 -3.264341662e+00 3.16 -2.113551583e+00 -2.946682564e+00 -3.213926516e+00 3.18 -2.054859916e+00 -2.886602504e+00 -3.161806013e+00 3.20 -1.997010184e+00 -2.826322258e+00 -3.108164646e+00 3.22 -1.940048488e+00 -2.765986366e+00 -3.053180331e+00 3.24 -1.884014775e+00 -2.705704845e+00 -2.997021016e+00 3.26 -1.828950334e+00 -2.645570396e+00 -2.939855126e+00 3.28 -1.774885052e+00 -2.585653047e+00 -2.881833579e+00 3.30 -1.721845824e+00 -2.526015513e+00 -2.823102149e+00 3.32 -1.669853965e+00 -2.466715119e+00 -2.763798501e+00 3.34 -1.618925174e+00 -2.407806746e+00 -2.704053006e+00 3.36 -1.569069764e+00 -2.349344579e+00 -2.643990043e+00 3.38 -1.520293127e+00 -2.291375923e+00 -2.583729728e+00 3.40 -1.472596418e+00 -2.233970956e+00 -2.523389978e+00 3.42 -1.425977372e+00 -2.177175611e+00 -2.463088702e+00 3.44 -1.380431156e+00 -2.121044065e+00 -2.402945810e+00 3.46 -1.335946896e+00 -2.065629081e+00 -2.343084653e+00 3.48 -1.292526305e+00 -2.010981132e+00 -2.283632465e+00 3.50 -1.250155645e+00 -1.957147526e+00 -2.224719433e+00 3.52 -1.208826092e+00 -1.904171618e+00 -2.166476230e+00 3.54 -1.168528321e+00 -1.852092141e+00 -2.109030118e+00 3.56 -1.129252291e+00 -1.800942695e+00 -2.052500089e+00 3.58 -1.090986901e+00 -1.750751390e+00 -1.996991766e+00 3.60 -1.053717501e+00 -1.701540635e+00 -1.942592932e+00 3.62 -1.017434113e+00 -1.653327076e+00 -1.889370394e+00 3.64 -9.821173723e-01 -1.606121644e+00 -1.837368644e+00 3.66 -9.477478736e-01 -1.559929720e+00 -1.786610373e+00 3.68 -9.143034089e-01 -1.514751391e+00 -1.737098541e+00 3.70 -8.817588986e-01 -1.470581797e+00 -1.688819535e+00 3.72 -8.500864582e-01 -1.427411556e+00 -1.641746845e+00 3.74 -8.192548107e-01 -1.385227265e+00 -1.595836823e+00 3.76 -7.892329472e-01 -1.344012072e+00 -1.551065546e+00 3.78 -7.599853821e-01 -1.303746291e+00 -1.507379085e+00 3.80 -7.314764816e-01 -1.264408052e+00 -1.464733033e+00 3.82 -7.036702847e-01 -1.225973952e+00 -1.423084537e+00 3.84 -6.765314678e-01 -1.188419682e+00 -1.382393710e+00 3.86 -6.500264692e-01 -1.151720581e+00 -1.342624600e+00 3.88 -6.241247540e-01 -1.115852108e+00 -1.303745792e+00 3.90 -5.988001749e-01 -1.080790188e+00 -1.265730675e+00 3.92 -5.740323553e-01 -1.046511438e+00 -1.228557417e+00 3.94 -5.498079810e-01 -1.012993272e+00 -1.192208695e+00 3.96 -5.261218497e-01 -9.802091131e-01 -1.156671225e+00 3.98 -5.029774980e-01 -9.481483350e-01 -1.121935140e+00 4.00 -4.803872196e-01 -9.167846816e-01 -1.087993275e+00 4.02 -4.583713159e-01 -8.860983198e-01 -1.054840422e+00 4.04 -4.369564946e-01 -8.560699860e-01 -1.022472583e+00 4.06 -4.161734447e-01 -8.266811123e-01 -9.908862966e-01 4.08 -3.960537611e-01 -7.979141013e-01 -9.600780333e-01 4.10 -3.766265288e-01 -7.697527682e-01 -9.300437067e-01 4.12 -3.579149744e-01 -7.421829472e-01 -9.007782893e-01 4.14 -3.399336192e-01 -7.151932369e-01 -8.722755378e-01 4.16 -3.226863073e-01 -6.887758323e-01 -8.445278158e-01 4.18 -3.061653484e-01 -6.629273651e-01 -8.175260003e-01 4.20 -2.903518429e-01 -6.376496438e-01 -7.912594540e-01 4.22 -2.752170838e-01 -6.129501700e-01 -7.657160492e-01 4.24 -2.607248030e-01 -5.888422984e-01 -7.408822262e-01 4.26 -2.468339533e-01 -5.653449216e-01 -7.167430729e-01 4.28 -2.335017093e-01 -5.424816014e-01 -6.932824162e-01 4.30 -2.206863982e-01 -5.202791312e-01 -6.704829155e-01 4.32 -2.083501272e-01 -4.987655937e-01 -6.483261515e-01 4.34 -1.964609344e-01 -4.779680697e-01 -6.267927088e-01 4.36 -1.849943380e-01 -4.579102191e-01 -6.058622463e-01 4.38 -1.739342096e-01 -4.386099980e-01 -5.855135584e-01 4.40 -1.632729299e-01 -4.200777638e-01 -5.657246236e-01 4.42 -1.530108326e-01 -4.023149692e-01 -5.464726445e-01 4.44 -1.431549861e-01 -3.853135567e-01 -5.277340804e-01 4.46 -1.337174221e-01 -3.690560626e-01 -5.094846755e-01 4.48 -1.247129722e-01 -3.535163461e-01 -4.916994871e-01 4.50 -1.161569240e-01 -3.386607967e-01 -4.743529188e-01 4.52 -1.080627310e-01 -3.244498350e-01 -4.574187635e-01 4.54 -1.004400027e-01 -3.108395328e-01 -4.408702643e-01 4.56 -9.329296338e-02 -2.977832022e-01 -4.246802012e-01 4.58 -8.661949818e-02 -2.852328472e-01 -4.088185785e-01 4.60 -8.041082487e-02 -2.731404194e-01 -3.932629191e-01 4.62 -7.465174977e-02 -2.614588576e-01 -3.779826338e-01 4.64 -6.932140441e-02 -2.501429244e-01 -3.629503742e-01 4.66 -6.439431987e-02 -2.391498718e-01 -3.481394940e-01 4.68 -5.984169074e-02 -2.284399801e-01 -3.335245067e-01 4.70 -5.563269008e-02 -2.179770132e-01 -3.190816423e-01 4.72 -5.173569136e-02 -2.077286310e-01 -3.047895028e-01 4.74 -4.811921481e-02 -1.976667886e-01 -2.906298134e-01 4.76 -4.475346080e-02 -1.877681411e-01 -2.765882559e-01 4.78 -4.161063800e-02 -1.780144565e-01 -2.626553566e-01 4.80 -3.866544400e-02 -1.683930240e-01 -2.488273868e-01 4.82 -3.589547503e-02 -1.588970313e-01 -2.351072172e-01 4.84 -3.328146011e-02 -1.495258656e-01 -2.215050519e-01 4.86 -3.080734622e-02 -1.402852865e-01 -2.080389531e-01 4.88 -2.846025415e-02 -1.311874102e-01 -1.947350645e-01 4.90 -2.623032208e-02 -1.222504463e-01 -1.816274426e-01 4.92 -2.411045130e-02 -1.134981412e-01 -1.687574242e-01 4.94 -2.209596789e-02 -1.049589013e-01 -1.561724921e-01 4.96 -2.018421587e-02 -9.666460300e-02 -1.439246455e-01 4.98 -1.837406699e-02 -8.864912871e-02 -1.320683376e-01 5.00 -1.666524334e-02 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