# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # 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 9.334218159e+02 nan nan 0.92 8.494378709e+02 nan nan 0.94 7.738808828e+02 nan nan 0.96 7.058222834e+02 nan nan 0.98 6.444457553e+02 9.376559720e+02 nan 1.00 5.890298519e+02 8.597717578e+02 9.704832418e+02 1.02 5.389372785e+02 7.891184124e+02 8.918906999e+02 1.04 4.936043590e+02 7.249586502e+02 8.204046091e+02 1.06 4.525314501e+02 6.666363249e+02 7.553155993e+02 1.08 4.152741920e+02 6.135664605e+02 6.959916421e+02 1.10 3.814385215e+02 5.652287140e+02 6.418700954e+02 1.12 3.506726405e+02 5.211563953e+02 5.924479001e+02 1.14 3.226648470e+02 4.809326247e+02 5.472747722e+02 1.16 2.971366665e+02 4.441842454e+02 5.059475854e+02 1.18 2.738397552e+02 4.105759908e+02 4.681033782e+02 1.20 2.525529021e+02 3.798076143e+02 4.334168241e+02 1.22 2.330780528e+02 3.516099429e+02 4.015945338e+02 1.24 2.152387577e+02 3.257408406e+02 3.723724339e+02 1.26 1.988772070e+02 3.019822317e+02 3.455127938e+02 1.28 1.838519311e+02 2.801382105e+02 3.208007922e+02 1.30 1.700372670e+02 2.600330704e+02 2.980424024e+02 1.32 1.573207276e+02 2.415085034e+02 2.770633238e+02 1.34 1.456011261e+02 2.244219258e+02 2.577055894e+02 1.36 1.347874502e+02 2.086443605e+02 2.398261018e+02 1.38 1.247990021e+02 1.940605151e+02 2.232960374e+02 1.40 1.155628338e+02 1.805662271e+02 2.079988277e+02 1.42 1.070134500e+02 1.680673636e+02 1.938288460e+02 1.44 9.909137057e+01 1.564789624e+02 1.806902907e+02 1.46 9.174402084e+01 1.457240825e+02 1.684963395e+02 1.48 8.492361263e+01 1.357330993e+02 1.571689014e+02 1.50 7.858698084e+01 1.264434432e+02 1.466368287e+02 1.52 7.269511923e+01 1.177983273e+02 1.368355693e+02 1.54 6.721226985e+01 1.097460291e+02 1.277064892e+02 1.56 6.210667269e+01 1.022398708e+02 1.191955365e+02 1.58 5.734935601e+01 9.523737064e+01 1.112550956e+02 1.60 5.291389907e+01 8.869989786e+01 1.038411509e+02 1.62 4.877618639e+01 8.259196120e+01 9.691347358e+01 1.64 4.491428446e+01 7.688135098e+01 9.043558866e+01 1.66 4.130799970e+01 7.153909365e+01 8.437417480e+01 1.68 3.793871285e+01 6.653860192e+01 7.869869688e+01 1.70 3.478988834e+01 6.185542719e+01 7.338120936e+01 1.72 3.184617492e+01 5.746709940e+01 6.839639246e+01 1.74 2.907943873e+01 5.335311377e+01 6.372088682e+01 1.76 2.650602441e+01 4.949459499e+01 5.933322582e+01 1.78 2.410331346e+01 4.587417852e+01 5.521361934e+01 1.80 2.186098095e+01 4.247586864e+01 5.134402753e+01 1.82 1.976939128e+01 3.928491139e+01 4.770777111e+01 1.84 1.781940480e+01 3.628768071e+01 4.428946615e+01 1.86 1.600271273e+01 3.347141985e+01 4.107472965e+01 1.88 1.431146864e+01 3.082444812e+01 3.805040878e+01 1.90 1.273830505e+01 2.832272373e+01 3.520452088e+01 1.92 1.127630580e+01 2.598648983e+01 3.252580193e+01 1.94 9.918962695e+00 2.379413926e+01 2.998747465e+01 1.96 8.660144226e+00 2.173762273e+01 2.761624701e+01 1.98 7.493963097e+00 1.980925944e+01 2.538428615e+01 2.00 6.415017667e+00 1.800201888e+01 2.328646079e+01 2.02 5.418153217e+00 1.630924534e+01 2.131546175e+01 2.04 4.498418395e+00 1.472466066e+01 1.946441330e+01 2.06 3.651180858e+00 1.324234551e+01 1.772684285e+01 2.08 2.871728808e+00 1.185671262e+01 1.609665090e+01 2.10 2.156264847e+00 1.056248246e+01 1.456803001e+01 2.12 1.500853619e+00 9.354661169e+00 1.313516449e+01 2.14 9.017421640e-01 8.228520483e+00 1.179331762e+01 2.16 3.553658783e-01 7.179433263e+00 1.053763755e+01 2.18 -1.416051831e-01 6.203147364e+00 9.363528342e+00 2.20 -5.924067286e-01 5.295759756e+00 8.266632735e+00 2.22 -1.000141572e+00 4.453218692e+00 7.242816496e+00 2.24 -1.367641500e+00 3.672010715e+00 6.288154110e+00 2.26 -1.697378864e+00 2.948760844e+00 5.398915547e+00 2.28 -1.992257612e+00 2.280181117e+00 4.571499658e+00 2.30 -2.254756067e+00 1.663141580e+00 3.802554127e+00 2.32 -2.487218400e+00 1.094661874e+00 3.088891631e+00 2.34 -2.691859476e+00 5.719035402e-01 2.427457601e+00 2.36 -2.870770003e+00 9.216302368e-02 1.815342446e+00 2.38 -3.026038029e+00 -3.470672841e-01 1.249773879e+00 2.40 -3.159463290e+00 -7.482898338e-01 7.281098634e-01 2.42 -3.272723503e+00 -1.113956818e+00 2.478321540e-01 2.44 -3.367727135e+00 -1.446068904e+00 -1.934184506e-01 2.46 -3.445738210e+00 -1.746652940e+00 -5.979271093e-01 2.48 -3.508129597e+00 -2.017909508e+00 -9.679207779e-01 2.50 -3.556245505e+00 -2.261754753e+00 -1.305890387e+00 2.52 -3.591292297e+00 -2.480009198e+00 -1.613108465e+00 2.54 -3.614526632e+00 -2.674400062e+00 -1.891730160e+00 2.56 -3.627035397e+00 -2.846564641e+00 -2.143550265e+00 2.58 -3.629828620e+00 -2.998053564e+00 -2.370278238e+00 2.60 -3.623843706e+00 -3.130333955e+00 -2.573538894e+00 2.62 -3.609949521e+00 -3.244792517e+00 -2.754875495e+00 2.64 -3.588950390e+00 -3.342738554e+00 -2.915752691e+00 2.66 -3.561589954e+00 -3.425406949e+00 -3.057559361e+00 2.68 -3.528554913e+00 -3.493956770e+00 -3.181611360e+00 2.70 -3.490478618e+00 -3.549407828e+00 -3.289154204e+00 2.72 -3.447944526e+00 -3.592711280e+00 -3.381365698e+00 2.74 -3.401489485e+00 -3.624877886e+00 -3.459358414e+00 2.76 -3.351606867e+00 -3.646933775e+00 -3.524168965e+00 2.78 -3.298814121e+00 -3.659791700e+00 -3.576856715e+00 2.80 -3.243647705e+00 -3.664365913e+00 -3.618284279e+00 2.82 -3.186289593e+00 -3.661210274e+00 -3.649305540e+00 2.84 -3.127130888e+00 -3.651018819e+00 -3.670782312e+00 2.86 -3.065883394e+00 -3.634438901e+00 -3.683489183e+00 2.88 -3.002940135e+00 -3.612073714e+00 -3.688152705e+00 2.90 -2.939080867e+00 -3.584551803e+00 -3.685453703e+00 2.92 -2.874478989e+00 -3.553075464e+00 -3.676029538e+00 2.94 -2.809381048e+00 -3.517345464e+00 -3.660476317e+00 2.96 -2.744023571e+00 -3.477813081e+00 -3.639351043e+00 2.98 -2.679039456e+00 -3.434896967e+00 -3.613173691e+00 3.00 -2.614324170e+00 -3.388985113e+00 -3.582429229e+00 3.02 -2.549784470e+00 -3.340436733e+00 -3.547569567e+00 3.04 -2.485550018e+00 -3.289584011e+00 -3.509015428e+00 3.06 -2.421736981e+00 -3.236733843e+00 -3.467158128e+00 3.08 -2.358464815e+00 -3.182166703e+00 -3.422361335e+00 3.10 -2.296008276e+00 -3.126129565e+00 -3.374962678e+00 3.12 -2.234237343e+00 -3.068082945e+00 -3.325275346e+00 3.14 -2.173225355e+00 -3.008984645e+00 -3.273589557e+00 3.16 -2.113036861e+00 -2.949121345e+00 -3.220171880e+00 3.18 -2.053727464e+00 -2.888637163e+00 -3.165323662e+00 3.20 -1.995345485e+00 -2.827744765e+00 -3.108711394e+00 3.22 -1.937971147e+00 -2.766620862e+00 -3.051369996e+00 3.24 -1.881608438e+00 -2.705401399e+00 -2.993380028e+00 3.26 -1.826278083e+00 -2.644213934e+00 -2.934678725e+00 3.28 -1.772004335e+00 -2.583174023e+00 -2.875428895e+00 3.30 -1.718807238e+00 -2.522386480e+00 -2.815837520e+00 3.32 -1.666702642e+00 -2.461946148e+00 -2.756038966e+00 3.34 -1.615700698e+00 -2.401938503e+00 -2.696161359e+00 3.36 -1.565808797e+00 -2.342440386e+00 -2.636321296e+00 3.38 -1.517026672e+00 -2.283520965e+00 -2.576625127e+00 3.40 -1.469376745e+00 -2.225281593e+00 -2.517169673e+00 3.42 -1.422877839e+00 -2.168275653e+00 -2.458042990e+00 3.44 -1.377487758e+00 -2.111984942e+00 -2.399324895e+00 3.46 -1.333143018e+00 -2.056453917e+00 -2.341087312e+00 3.48 -1.289806251e+00 -2.001721795e+00 -2.283395184e+00 3.50 -1.247471359e+00 -1.947823129e+00 -2.226307158e+00 3.52 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-1.339390622e+00 3.88 -6.381294606e-01 -1.100180419e+00 -1.298716160e+00 3.90 -6.154326403e-01 -1.064803041e+00 -1.258891734e+00 3.92 -5.927216881e-01 -1.030315640e+00 -1.219936685e+00 3.94 -5.699109016e-01 -9.967307895e-01 -1.182177927e+00 3.96 -5.469649787e-01 -9.639924470e-01 -1.145389666e+00 3.98 -5.238859058e-01 -9.320068240e-01 -1.109463050e+00 4.00 -5.007024443e-01 -9.007838290e-01 -1.074394368e+00 4.02 -4.774615457e-01 -8.702863219e-01 -1.040179597e+00 4.04 -4.541074073e-01 -8.406365733e-01 -1.006829812e+00 4.06 -4.307673610e-01 -8.119584898e-01 -9.743576440e-01 4.08 -4.076952807e-01 -7.843404434e-01 -9.426201992e-01 4.10 -3.850859463e-01 -7.578847737e-01 -9.115574612e-01 4.12 -3.630858113e-01 -7.326993232e-01 -8.812030782e-01 4.14 -3.418019779e-01 -7.086274037e-01 -8.516235846e-01 4.16 -3.213096642e-01 -6.855971370e-01 -8.229508811e-01 4.18 -3.016584023e-01 -6.633404545e-01 -7.952812458e-01 4.20 -2.828771720e-01 -6.415348025e-01 -7.686814569e-01 4.22 -2.649786413e-01 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-7.131346047e-02 -2.507334772e-01 -3.535464162e-01 4.60 -6.627017933e-02 -2.351778055e-01 -3.339440104e-01 4.62 -6.153095390e-02 -2.203911356e-01 -3.150393643e-01 4.64 -5.707790921e-02 -2.063567307e-01 -2.968705202e-01 4.66 -5.289413684e-02 -1.930538068e-01 -2.794603309e-01 4.68 -4.896365961e-02 -1.804586057e-01 -2.628193796e-01 4.70 -4.527139394e-02 -1.685452740e-01 -2.469484228e-01 4.72 -4.180311086e-02 -1.572865776e-01 -2.318404298e-01 4.74 -3.854539646e-02 -1.466544790e-01 -2.174822810e-01 4.76 -3.548561229e-02 -1.366206012e-01 -2.038561760e-01 4.78 -3.261185598e-02 -1.271565942e-01 -1.909407948e-01 4.80 -2.991292274e-02 -1.182163477e-01 -1.787122540e-01 4.82 -2.737826800e-02 -1.103256320e-01 -1.671448896e-01 4.84 -2.499797134e-02 -1.030972509e-01 -1.562118943e-01 4.86 -2.276270166e-02 -9.628081588e-02 -1.458858322e-01 4.88 -2.066368384e-02 -8.985458124e-02 -1.361390507e-01 4.90 -1.869266682e-02 -8.379764397e-02 -1.269440077e-01 4.92 -1.684189344e-02 -7.808996865e-02 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