# 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 = AuCu3 # 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 1.692667596e+02 nan nan 1.16 1.547466630e+02 nan nan 1.18 1.414568273e+02 nan nan 1.20 1.292879555e+02 nan nan 1.22 1.181398048e+02 nan nan 1.24 1.079203572e+02 nan nan 1.26 9.854623768e+01 nan nan 1.28 8.994178441e+01 1.449229694e+02 1.681073527e+02 1.30 8.203779460e+01 1.334006727e+02 1.551748091e+02 1.32 7.477169093e+01 1.227711070e+02 1.432277399e+02 1.34 6.808830358e+01 1.129622880e+02 1.321828679e+02 1.36 6.193949728e+01 1.039073931e+02 1.219653154e+02 1.38 5.628256608e+01 9.554492388e+01 1.125070637e+02 1.40 5.107867501e+01 8.781859601e+01 1.037456423e+02 1.42 4.629193792e+01 8.067694058e+01 9.562410444e+01 1.44 4.189119614e+01 7.407267839e+01 8.809177866e+01 1.46 3.785908915e+01 6.796217535e+01 8.110434477e+01 1.48 3.416652958e+01 6.230529619e+01 7.462252977e+01 1.50 3.078405164e+01 5.706556600e+01 6.861027302e+01 1.52 2.768513144e+01 5.221017449e+01 6.303357166e+01 1.54 2.484580744e+01 4.770947665e+01 5.786027958e+01 1.56 2.224412171e+01 4.353617835e+01 5.306035200e+01 1.58 1.985968916e+01 3.967292634e+01 4.860603903e+01 1.60 1.767358584e+01 3.610311586e+01 4.447185523e+01 1.62 1.566852287e+01 3.280367899e+01 4.063794323e+01 1.64 1.382907440e+01 2.975426980e+01 3.709348129e+01 1.66 1.214175313e+01 2.693719336e+01 3.381730017e+01 1.68 1.059484534e+01 2.433663554e+01 3.078836936e+01 1.70 9.178058874e+00 2.193806790e+01 2.798710966e+01 1.72 7.882150315e+00 1.972782221e+01 2.539550274e+01 1.74 6.698661294e+00 1.769280172e+01 2.299725652e+01 1.76 5.619757615e+00 1.582032644e+01 2.077779600e+01 1.78 4.638096281e+00 1.409812542e+01 1.872403237e+01 1.80 3.746681953e+00 1.251445291e+01 1.682406415e+01 1.82 2.938734113e+00 1.105825713e+01 1.506695938e+01 1.84 2.207609058e+00 9.719311810e+00 1.344266510e+01 1.86 1.546806115e+00 8.488250348e+00 1.194198982e+01 1.88 9.500554419e-01 7.356503460e+00 1.055657148e+01 1.90 4.114499362e-01 6.316190209e+00 9.278781928e+00 1.92 -7.443836183e-02 5.360024909e+00 8.101574297e+00 1.94 -5.125087521e-01 4.481281895e+00 7.018304046e+00 1.96 -9.071601361e-01 3.673818792e+00 6.022561119e+00 1.98 -1.262359856e+00 2.932118175e+00 5.108061255e+00 2.00 -1.581697768e+00 2.251295992e+00 4.268640745e+00 2.02 -1.868398082e+00 1.627049949e+00 3.498356964e+00 2.04 -2.125307750e+00 1.055557344e+00 2.791638839e+00 2.06 -2.354900944e+00 5.333532784e-01 2.143407159e+00 2.08 -2.559322095e+00 5.722144619e-02 1.549114119e+00 2.10 -2.740460130e+00 -3.758819499e-01 1.004703253e+00 2.12 -2.900031120e+00 -7.688673102e-01 5.065225970e-01 2.14 -3.039648934e+00 -1.124523759e+00 5.122463708e-02 2.16 -3.160872340e+00 -1.445519527e+00 -3.643259321e-01 2.18 -3.265224007e+00 -1.734402488e+00 -7.431240510e-01 2.20 -3.354182218e+00 -1.993605356e+00 -1.088064103e+00 2.22 -3.429152461e+00 -2.225454227e+00 -1.401937096e+00 2.24 -3.491432755e+00 -2.432177981e+00 -1.687384273e+00 2.26 -3.542189807e+00 -2.615918079e+00 -1.946824340e+00 2.28 -3.582479809e+00 -2.778738645e+00 -2.182386924e+00 2.30 -3.613314072e+00 -2.922632113e+00 -2.395883398e+00 2.32 -3.635507232e+00 -3.049510011e+00 -2.588826851e+00 2.34 -3.650630343e+00 -3.161170446e+00 -2.762489575e+00 2.36 -3.659016313e+00 -3.259246956e+00 -2.917974503e+00 2.38 -3.660581991e+00 -3.345158606e+00 -3.056279944e+00 2.40 -3.655497330e+00 -3.420084792e+00 -3.178347607e+00 2.42 -3.644103335e+00 -3.484976395e+00 -3.285094090e+00 2.44 -3.626826028e+00 -3.540597226e+00 -3.377431488e+00 2.46 -3.604118957e+00 -3.587578803e+00 -3.456283623e+00 2.48 -3.576482880e+00 -3.626526587e+00 -3.522602001e+00 2.50 -3.544458585e+00 -3.657958276e+00 -3.577381311e+00 2.52 -3.508521629e+00 -3.682436801e+00 -3.621669909e+00 2.54 -3.469075362e+00 -3.700431896e+00 -3.656567775e+00 2.56 -3.426456404e+00 -3.712560701e+00 -3.683265948e+00 2.58 -3.380942237e+00 -3.718883587e+00 -3.702891445e+00 2.60 -3.332761353e+00 -3.719236557e+00 -3.716411399e+00 2.62 -3.282105384e+00 -3.713597885e+00 -3.725324960e+00 2.64 -3.229142111e+00 -3.702064094e+00 -3.730025229e+00 2.66 -3.174028318e+00 -3.684829272e+00 -3.730399209e+00 2.68 -3.116921764e+00 -3.662193530e+00 -3.726360430e+00 2.70 -3.057991542e+00 -3.634556314e+00 -3.717843815e+00 2.72 -2.997425900e+00 -3.602414138e+00 -3.704805794e+00 2.74 -2.935436374e+00 -3.566309321e+00 -3.687236469e+00 2.76 -2.872257287e+00 -3.526762742e+00 -3.665172601e+00 2.78 -2.808140441e+00 -3.484245662e+00 -3.638737661e+00 2.80 -2.743345974e+00 -3.439159518e+00 -3.608156975e+00 2.82 -2.678131322e+00 -3.391827665e+00 -3.573693432e+00 2.84 -2.612740617e+00 -3.342500125e+00 -3.535639521e+00 2.86 -2.547396274e+00 -3.291368397e+00 -3.494312647e+00 2.88 -2.482293574e+00 -3.238585260e+00 -3.450046640e+00 2.90 -2.417598127e+00 -3.184284638e+00 -3.403180181e+00 2.92 -2.353445765e+00 -3.128598114e+00 -3.354043815e+00 2.94 -2.289944419e+00 -3.071666537e+00 -3.302947899e+00 2.96 -2.227177664e+00 -3.013646581e+00 -3.250173922e+00 2.98 -2.165209544e+00 -2.954712914e+00 -3.195970782e+00 3.00 -2.104090033e+00 -2.895056847e+00 -3.140556337e+00 3.02 -2.043860290e+00 -2.834882213e+00 -3.084123260e+00 3.04 -1.984556924e+00 -2.774399117e+00 -3.026847416e+00 3.06 -1.926214739e+00 -2.713816121e+00 -2.968896698e+00 3.08 -1.868867844e+00 -2.653331627e+00 -2.910438377e+00 3.10 -1.812549357e+00 -2.593125486e+00 -2.851643360e+00 3.12 -1.757290133e+00 -2.533351929e+00 -2.792686285e+00 3.14 -1.703117018e+00 -2.474134829e+00 -2.733741167e+00 3.16 -1.650051046e+00 -2.415565803e+00 -2.674973322e+00 3.18 -1.598105907e+00 -2.357705141e+00 -2.616529271e+00 3.20 -1.547286837e+00 -2.300585046e+00 -2.558527078e+00 3.22 -1.497590023e+00 -2.244214441e+00 -2.501049524e+00 3.24 -1.449002497e+00 -2.188584580e+00 -2.444141810e+00 3.26 -1.401502455e+00 -2.133674848e+00 -2.387814262e+00 3.28 -1.355059931e+00 -2.079458290e+00 -2.332049317e+00 3.30 -1.309637726e+00 -2.025906565e+00 -2.276811205e+00 3.32 -1.265192535e+00 -1.972994092e+00 -2.222056503e+00 3.34 -1.221676210e+00 -1.920701224e+00 -2.167743941e+00 3.36 -1.179037168e+00 -1.869016319e+00 -2.113842321e+00 3.38 -1.137221960e+00 -1.817936686e+00 -2.060335971e+00 3.40 -1.096177088e+00 -1.767468440e+00 -2.007227646e+00 3.42 -1.055851141e+00 -1.717625425e+00 -1.954539102e+00 3.44 -1.016197356e+00 -1.668427416e+00 -1.902309799e+00 3.46 -9.771766219e-01 -1.619897897e+00 -1.850594218e+00 3.48 -9.387609005e-01 -1.572061675e+00 -1.799458259e+00 3.50 -9.009368382e-01 -1.524942614e+00 -1.748975146e+00 3.52 -8.637092099e-01 -1.478561670e+00 -1.699221160e+00 3.54 -8.271036260e-01 -1.432935393e+00 -1.650271507e+00 3.56 -7.911678133e-01 -1.388074968e+00 -1.602196586e+00 3.58 -7.559707768e-01 -1.343985856e+00 -1.555058904e+00 3.60 -7.215993391e-01 -1.300668019e+00 -1.508910824e+00 3.62 -6.881519546e-01 -1.258116733e+00 -1.463793255e+00 3.64 -6.557302566e-01 -1.216323945e+00 -1.419735257e+00 3.66 -6.244293726e-01 -1.175280132e+00 -1.376754467e+00 3.68 -5.943284438e-01 -1.134976561e+00 -1.334858105e+00 3.70 -5.654828628e-01 -1.095407830e+00 -1.294044359e+00 3.72 -5.379194293e-01 -1.056574483e+00 -1.254303889e+00 3.74 -5.116350354e-01 -1.018485422e+00 -1.215621312e+00 3.76 -4.865987961e-01 -9.811597715e-01 -1.177976519e+00 3.78 -4.627569642e-01 -9.446278108e-01 -1.141345788e+00 3.80 -4.400396311e-01 -9.089306366e-01 -1.105702682e+00 3.82 -4.183681406e-01 -8.741183166e-01 -1.071018720e+00 3.84 -3.976622720e-01 -8.402465322e-01 -1.037263882e+00 3.86 -3.778464812e-01 -8.073719691e-01 -1.004406951e+00 3.88 -3.588547261e-01 -7.755469904e-01 -9.724157321e-01 3.90 -3.406336146e-01 -7.448143122e-01 -9.412571692e-01 3.92 -3.231437784e-01 -7.152024337e-01 -9.108973819e-01 3.94 -3.063595171e-01 -6.867224431e-01 -8.813016360e-01 3.96 -2.902668912e-01 -6.593665446e-01 -8.524342633e-01 3.98 -2.748605942e-01 -6.331083403e-01 -8.242585552e-01 4.00 -2.601400493e-01 -6.079046059e-01 -7.967366438e-01 4.02 -2.461052755e-01 -5.836981243e-01 -7.698293942e-01 4.04 -2.327530726e-01 -5.604210807e-01 -7.434963344e-01 4.06 -2.200739967e-01 -5.379985758e-01 -7.176956488e-01 4.08 -2.080504394e-01 -5.163519284e-01 -6.923842668e-01 4.10 -1.966559215e-01 -4.954015779e-01 -6.675180803e-01 4.12 -1.858555186e-01 -4.750695270e-01 -6.430523250e-01 4.14 -1.756071914e-01 -4.552813379e-01 -6.189421619e-01 4.16 -1.658637234e-01 -4.359677815e-01 -5.951434974e-01 4.18 -1.565749648e-01 -4.170662259e-01 -5.716140698e-01 4.20 -1.476901299e-01 -3.985218620e-01 -5.483148265e-01 4.22 -1.391599694e-01 -3.802888311e-01 -5.252115913e-01 4.24 -1.309387128e-01 -3.623312881e-01 -5.022769980e-01 4.26 -1.229856475e-01 -3.446243865e-01 -4.794926214e-01 4.28 -1.152663949e-01 -3.271551384e-01 -4.568511904e-01 4.30 -1.077546375e-01 -3.099230604e-01 -4.343587082e-01 4.32 -1.004322279e-01 -2.929404919e-01 -4.120362482e-01 4.34 -9.328958708e-02 -2.762324561e-01 -3.899211534e-01 4.36 -8.632576392e-02 -2.598359344e-01 -3.680673519e-01 4.38 -7.954803650e-02 -2.437984540e-01 -3.465445317e-01 4.40 -7.297102909e-02 -2.281759369e-01 -3.254360073e-01 4.42 -6.661536118e-02 -2.130298436e-01 -3.048352486e-01 4.44 -6.050587636e-02 -1.984237381e-01 -2.848412299e-01 4.46 -5.466956388e-02 -1.844195068e-01 -2.655529423e-01 4.48 -4.913333473e-02 -1.710735452e-01 -2.470635787e-01 4.50 -4.392184877e-02 -1.584332673e-01 -2.294549820e-01 4.52 -3.905559461e-02 -1.465342761e-01 -2.127929366e-01 4.54 -3.454939882e-02 -1.353984549e-01 -1.971237762e-01 4.56 -3.041147407e-02 -1.250331239e-01 -1.824725695e-01 4.58 -2.664305890e-02 -1.154312591e-01 -1.688429569e-01 4.60 -2.323861439e-02 -1.065726516e-01 -1.562184662e-01 4.62 -2.018648204e-02 -9.842578406e-02 -1.445649991e-01 4.64 -1.746969148e-02 -9.095016007e-02 -1.338340926e-01 4.66 -1.506711695e-02 -8.409882030e-02 -1.239665509e-01 4.68 -1.295568286e-02 -7.782082029e-02 -1.148960922e-01 4.70 -1.111060490e-02 -7.206349822e-02 -1.065527397e-01 4.72 -9.506421743e-03 -6.677421377e-02 -9.886578222e-02 4.74 -8.117904522e-03 -6.190218553e-02 -9.176621869e-02 4.76 -6.920752740e-03 -5.740010336e-02 -8.518861851e-02 4.78 -5.892087230e-03 -5.322451436e-02 -7.907238915e-02 4.80 -5.010764723e-03 -4.933631580e-02 -7.336333985e-02 4.82 -4.257545068e-03 -4.570114528e-02 -6.801378682e-02 4.84 -3.615143416e-03 -4.228953211e-02 -6.298277917e-02 4.86 -3.068197596e-03 -3.907686802e-02 -5.823614016e-02 4.88 -2.603176924e-03 -3.604322359e-02 -5.374627121e-02 4.90 -2.208253884e-03 -3.317303974e-02 -4.949175710e-02 4.92 -1.873155372e-03 -3.045471274e-02 -4.545680220e-02 4.94 -1.589005950e-03 -2.788008965e-02 -4.163052371e-02 4.96 -1.348171909e-03 -2.544389253e-02 -3.800613027e-02 4.98 -1.144111970e-03 -2.314309294e-02 -3.458002022e-02 5.00 -9.712382679e-04 -2.097626370e-02 -3.135083898e-02 5.02 -8.247895560e-04 -1.894294120e-02 -2.831854777e-02 5.04 -7.007173860e-04 -1.704303001e-02 -2.548355206e-02 5.06 -5.955852048e-04 -1.527628204e-02 -2.284593812e-02 5.08 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-2.001716733e-03 5.44 -3.039184373e-05 -1.152804720e-03 -1.725878758e-03 5.46 -2.615201874e-05 -9.936934344e-04 -1.487680133e-03 5.48 -2.251776284e-05 -8.564169143e-04 -1.282166308e-03 5.50 -1.940060068e-05 -7.380624951e-04 -1.104978182e-03 5.52 -1.672526460e-05 -6.360783453e-04 -9.522964166e-04 5.54 -1.442768320e-05 -5.482366775e-04 -8.207862192e-04 5.56 -1.245328166e-05 -4.725984826e-04 -7.075457300e-04 5.58 -1.075554501e-05 -4.074804409e-04 -6.100548467e-04 5.60 -9.294802783e-06 -3.514243912e-04 -5.261307463e-04 5.62 -8.037200494e-06 -3.031695311e-04 -4.538859928e-04 5.64 -6.953828732e-06 -2.616273752e-04 -3.916910729e-04 5.66 -6.019985297e-06 -2.258593950e-04 -3.381409384e-04 5.68 -5.214549619e-06 -1.950571978e-04 -2.920253451e-04 5.70 -4.519452120e-06 -1.685250626e-04 -2.523027151e-04 5.72 -3.919223847e-06 -1.456646281e-04 -2.180772206e-04 5.74 -3.400613943e-06 -1.259615260e-04 -1.885787756e-04 5.76 -2.952264574e-06 -1.089737520e-04 -1.631456293e-04 5.78 -2.564434508e-06 -9.432157843e-05 -1.412092662e-04 5.80 -2.228763925e-06 -8.167882660e-05 -1.222813404e-04 5.82 -1.938074162e-06 -7.076532989e-05 -1.059423929e-04 5.84 -1.686197109e-06 -6.134043677e-05 -9.183212515e-05 5.86 -1.467829795e-06 -5.319741788e-05 -7.964102604e-05 5.88 -1.278410333e-06 -4.615865684e-05 -6.910317172e-05 5.90 -1.114012044e-06 -4.007151881e-05 -5.999004039e-05 5.92 -9.712530389e-07 -3.480480382e-05 -5.210520230e-05 5.94 -8.472189456e-07 -3.024570374e-05 -4.527976385e-05 5.96 -7.393968375e-07 -2.629719251e-05 -3.936846033e-05 5.98 -6.456187006e-07 -2.287578869e-05 -3.424630588e-05 6.00 -5.640130383e-07 -1.990963732e-05 -2.980572181e-05