# 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 = 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 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 3.133858351e+02 nan nan 0.92 2.843115821e+02 nan nan 0.94 2.581423101e+02 nan nan 0.96 2.345570560e+02 nan nan 0.98 2.132850585e+02 3.147701148e+02 nan 1.00 1.940782136e+02 2.879936802e+02 3.271041487e+02 1.02 1.767200466e+02 2.636856775e+02 3.002680571e+02 1.04 1.610135013e+02 2.415972779e+02 2.758090162e+02 1.06 1.468008862e+02 2.214995064e+02 2.534872679e+02 1.08 1.339243503e+02 2.032015386e+02 2.330944486e+02 1.10 1.222493291e+02 1.865292846e+02 2.144448606e+02 1.12 1.116576995e+02 1.713234733e+02 1.973777848e+02 1.14 1.020414833e+02 1.574387054e+02 1.817476187e+02 1.16 9.330862809e+01 1.447506019e+02 1.674212243e+02 1.18 8.537110902e+01 1.331518816e+02 1.542841145e+02 1.20 7.814784795e+01 1.225425725e+02 1.422339666e+02 1.22 7.156755447e+01 1.128262607e+02 1.311709310e+02 1.24 6.557064549e+01 1.039278068e+02 1.210140937e+02 1.26 6.009845967e+01 9.577085645e+01 1.116831216e+02 1.28 5.509635071e+01 8.828953496e+01 1.031078119e+02 1.30 5.052513292e+01 8.142219686e+01 9.521796568e+01 1.32 4.634324512e+01 7.511119488e+01 8.796070430e+01 1.34 4.251347850e+01 6.930933104e+01 8.128152443e+01 1.36 3.899825444e+01 6.397084407e+01 7.513045127e+01 1.38 3.577090901e+01 5.905301733e+01 6.945976704e+01 1.40 3.280600907e+01 5.452291133e+01 6.422690014e+01 1.42 3.008053693e+01 5.034671170e+01 5.939988136e+01 1.44 2.757161541e+01 4.649200936e+01 5.494169410e+01 1.46 2.526058608e+01 4.292882187e+01 5.082202367e+01 1.48 2.312822696e+01 3.963434808e+01 4.701489834e+01 1.50 2.116218199e+01 3.658857312e+01 4.349331498e+01 1.52 1.934777382e+01 3.377036447e+01 4.023314240e+01 1.54 1.767196999e+01 3.115984367e+01 3.721440487e+01 1.56 1.612469884e+01 2.874173670e+01 3.441668917e+01 1.58 1.469512066e+01 2.650049940e+01 3.181999761e+01 1.60 1.337499989e+01 2.442202213e+01 2.941038557e+01 1.62 1.215319656e+01 2.249317670e+01 2.717404811e+01 1.64 1.097545972e+01 2.070222337e+01 2.509731704e+01 1.66 9.902964263e+00 1.903737935e+01 2.316605383e+01 1.68 8.883685374e+00 1.748931878e+01 2.136913455e+01 1.70 7.916938417e+00 1.605180395e+01 1.969794813e+01 1.72 7.001194656e+00 1.471593210e+01 1.814320888e+01 1.74 6.135142322e+00 1.346023304e+01 1.669712602e+01 1.76 5.316785878e+00 1.230119371e+01 1.535028320e+01 1.78 4.545141903e+00 1.121556583e+01 1.409695280e+01 1.80 3.819848657e+00 1.016911867e+01 1.293106759e+01 1.82 3.138446978e+00 9.205054342e+00 1.184660838e+01 1.84 2.500260650e+00 8.287991849e+00 1.078595686e+01 1.86 1.904745237e+00 7.416200459e+00 9.818381716e+00 1.88 1.350188342e+00 6.588358259e+00 8.894275473e+00 1.90 8.350614814e-01 5.803391520e+00 8.012306484e+00 1.92 3.577952152e-01 5.059919830e+00 7.173340409e+00 1.94 -8.320859702e-02 4.355593130e+00 6.376151304e+00 1.96 -4.895646337e-01 3.691023508e+00 5.619614130e+00 1.98 -8.629283281e-01 3.063970846e+00 4.902660421e+00 2.00 -1.204894296e+00 2.473919466e+00 4.224251561e+00 2.02 -1.516789068e+00 1.920277226e+00 3.583347869e+00 2.04 -1.798306460e+00 1.401828532e+00 2.978120025e+00 2.06 -2.053456796e+00 9.173354506e-01 2.408368710e+00 2.08 -2.283906679e+00 4.655409425e-01 1.873028807e+00 2.10 -2.490850628e+00 4.517394211e-02 1.370930189e+00 2.12 -2.676021922e+00 -3.450448598e-01 9.007011150e-01 2.14 -2.840656108e+00 -7.063867904e-01 4.614794484e-01 2.16 -2.985756220e+00 -1.040682358e+00 5.207432986e-02 2.18 -3.113072302e+00 -1.348732719e+00 -3.287096722e-01 2.20 -3.223421765e+00 -1.630985978e+00 -6.820670358e-01 2.22 -3.318169580e+00 -1.888514560e+00 -1.009657375e+00 2.24 -3.398684338e+00 -2.122980306e+00 -1.313203552e+00 2.26 -3.464373280e+00 -2.336166017e+00 -1.592762619e+00 2.28 -3.517390090e+00 -2.529201079e+00 -1.847461749e+00 2.30 -3.558725254e+00 -2.703186191e+00 -2.080611319e+00 2.32 -3.589275554e+00 -2.859151388e+00 -2.293398726e+00 2.34 -3.609889881e+00 -2.998096405e+00 -2.486866797e+00 2.36 -3.621370305e+00 -3.121088943e+00 -2.662032698e+00 2.38 -3.624473633e+00 -3.229097522e+00 -2.819886768e+00 2.40 -3.619847735e+00 -3.323053582e+00 -2.961287239e+00 2.42 -3.608175216e+00 -3.403884836e+00 -3.087247081e+00 2.44 -3.590277015e+00 -3.472303559e+00 -3.198672424e+00 2.46 -3.566600777e+00 -3.528582992e+00 -3.296430394e+00 2.48 -3.537823807e+00 -3.574140381e+00 -3.381583178e+00 2.50 -3.504772821e+00 -3.610343810e+00 -3.455560981e+00 2.52 -3.467435168e+00 -3.637341736e+00 -3.517740859e+00 2.54 -3.426273669e+00 -3.655815380e+00 -3.568796675e+00 2.56 -3.381707434e+00 -3.666399638e+00 -3.610032514e+00 2.58 -3.334111868e+00 -3.669651076e+00 -3.642118979e+00 2.60 -3.281911887e+00 -3.667943992e+00 -3.665694776e+00 2.62 -3.226976531e+00 -3.660421549e+00 -3.681367694e+00 2.64 -3.170125269e+00 -3.647152318e+00 -3.689715284e+00 2.66 -3.112982903e+00 -3.628622455e+00 -3.691285570e+00 2.68 -3.054901054e+00 -3.605285322e+00 -3.686587647e+00 2.70 -2.995623953e+00 -3.577567491e+00 -3.676031646e+00 2.72 -2.935373462e+00 -3.545869836e+00 -3.660174990e+00 2.74 -2.874338118e+00 -3.510568616e+00 -3.639456330e+00 2.76 -2.813291078e+00 -3.472016579e+00 -3.614289636e+00 2.78 -2.751766435e+00 -3.430556650e+00 -3.585093731e+00 2.80 -2.689966284e+00 -3.386518550e+00 -3.552291720e+00 2.82 -2.628048801e+00 -3.339521851e+00 -3.516139466e+00 2.84 -2.566144541e+00 -3.288853196e+00 -3.476959214e+00 2.86 -2.504373616e+00 -3.236454516e+00 -3.435317733e+00 2.88 -2.442845033e+00 -3.182592154e+00 -3.393505878e+00 2.90 -2.381657699e+00 -3.127492203e+00 -3.348883837e+00 2.92 -2.320901122e+00 -3.071481429e+00 -3.300489483e+00 2.94 -2.260656070e+00 -3.014581559e+00 -3.250495791e+00 2.96 -2.200995190e+00 -2.956961105e+00 -3.199040219e+00 2.98 -2.141983600e+00 -2.898775761e+00 -3.146319177e+00 3.00 -2.083679403e+00 -2.840181421e+00 -3.092515778e+00 3.02 -2.026134209e+00 -2.781178854e+00 -3.037800503e+00 3.04 -1.969393682e+00 -2.722382761e+00 -2.982331916e+00 3.06 -1.913497908e+00 -2.664277175e+00 -2.926257273e+00 3.08 -1.858489694e+00 -2.606167138e+00 -2.869712137e+00 3.10 -1.804487790e+00 -2.548161478e+00 -2.812812821e+00 3.12 -1.751441682e+00 -2.490349716e+00 -2.755424208e+00 3.14 -1.699322759e+00 -2.432813517e+00 -2.697919183e+00 3.16 -1.648054809e+00 -2.375627316e+00 -2.640408741e+00 3.18 -1.597513540e+00 -2.318858798e+00 -2.582984032e+00 3.20 -1.547561985e+00 -2.262569337e+00 -2.525726341e+00 3.22 -1.498580902e+00 -2.206814430e+00 -2.468859996e+00 3.24 -1.450727203e+00 -2.151644136e+00 -2.412334631e+00 3.26 -1.403938736e+00 -2.097103391e+00 -2.356179161e+00 3.28 -1.358177264e+00 -2.043232320e+00 -2.300453174e+00 3.30 -1.313444955e+00 -1.990066649e+00 -2.245210800e+00 3.32 -1.269745999e+00 -1.937638035e+00 -2.190501097e+00 3.34 -1.227081840e+00 -1.885973477e+00 -2.136368412e+00 3.36 -1.185440338e+00 -1.835097474e+00 -2.082852617e+00 3.38 -1.144797385e+00 -1.785038490e+00 -2.029989320e+00 3.40 -1.105125044e+00 -1.735822858e+00 -1.977810466e+00 3.42 -1.066405100e+00 -1.687564884e+00 -1.926344442e+00 3.44 -1.028642104e+00 -1.640000981e+00 -1.875615753e+00 3.46 -9.918341334e-01 -1.593037506e+00 -1.825640492e+00 3.48 -9.559750048e-01 -1.546662934e+00 -1.776464467e+00 3.50 -9.210486145e-01 -1.501056605e+00 -1.728116329e+00 3.52 -8.870479293e-01 -1.456380772e+00 -1.681203074e+00 3.54 -8.539521463e-01 -1.412636505e+00 -1.634976098e+00 3.56 -8.217459000e-01 -1.369793378e+00 -1.589246892e+00 3.58 -7.904263013e-01 -1.327844976e+00 -1.544050384e+00 3.60 -7.599145790e-01 -1.286791551e+00 -1.499645731e+00 3.62 -7.302294368e-01 -1.246635359e+00 -1.456150083e+00 3.64 -7.013064770e-01 -1.207374593e+00 -1.413520448e+00 3.66 -6.731635258e-01 -1.168993235e+00 -1.371731071e+00 3.68 -6.458914270e-01 -1.131468935e+00 -1.330787812e+00 3.70 -6.195552674e-01 -1.094780968e+00 -1.290689474e+00 3.72 -5.942339928e-01 -1.058917144e+00 -1.251439041e+00 3.74 -5.699697969e-01 -1.023877548e+00 -1.213034949e+00 3.76 -5.466527932e-01 -9.896616369e-01 -1.175467358e+00 3.78 -5.242792116e-01 -9.562657548e-01 -1.138716268e+00 3.80 -5.025901475e-01 -9.236808956e-01 -1.102759851e+00 3.82 -4.813448071e-01 -8.918900891e-01 -1.067586405e+00 3.84 -4.603740450e-01 -8.608840432e-01 -1.033198429e+00 3.86 -4.395652716e-01 -8.306472836e-01 -9.995923383e-01 3.88 -4.188500176e-01 -8.011807904e-01 -9.667656308e-01 3.90 -3.981937298e-01 -7.724618067e-01 -9.347166585e-01 3.92 -3.775782406e-01 -7.444207960e-01 -9.034283035e-01 3.94 -3.569834315e-01 -7.170550451e-01 -8.729864849e-01 3.96 -3.364928595e-01 -6.903393994e-01 -8.432956641e-01 3.98 -3.161452587e-01 -6.643316389e-01 -8.143354666e-01 4.00 -2.960035225e-01 -6.390976888e-01 -7.861068175e-01 4.02 -2.762385195e-01 -6.146853054e-01 -7.585481903e-01 4.04 -2.570198000e-01 -5.911473478e-01 -7.316532670e-01 4.06 -2.408914096e-01 -5.685497799e-01 -7.053512360e-01 4.08 -2.256073841e-01 -5.468283544e-01 -6.796880611e-01 4.10 -2.109513510e-01 -5.259142857e-01 -6.547339596e-01 4.12 -1.969236614e-01 -5.056047640e-01 -6.305413011e-01 4.14 -1.835283070e-01 -4.856966760e-01 -6.071474102e-01 4.16 -1.707621177e-01 -4.660429503e-01 -5.846156288e-01 4.18 -1.586163011e-01 -4.465416110e-01 -5.629611817e-01 4.20 -1.470777167e-01 -4.271266277e-01 -5.421627538e-01 4.22 -1.361299278e-01 -4.077602716e-01 -5.221115482e-01 4.24 -1.257540684e-01 -3.884267773e-01 -5.025806281e-01 4.26 -1.159295553e-01 -3.691143337e-01 -4.834005395e-01 4.28 -1.066346635e-01 -3.497438849e-01 -4.644489324e-01 4.30 -9.784699628e-02 -3.319426975e-01 -4.456414572e-01 4.32 -8.954385775e-02 -3.149414896e-01 -4.269241075e-01 4.34 -8.170255510e-02 -2.981452202e-01 -4.082668210e-01 4.36 -7.430063059e-02 -2.816700010e-01 -3.896581452e-01 4.38 -6.731604551e-02 -2.655943746e-01 -3.710954799e-01 4.40 -6.072668161e-02 -2.499779693e-01 -3.525619835e-01 4.42 -5.443830727e-02 -2.348646790e-01 -3.341125196e-01 4.44 -4.988427076e-02 -2.202853416e-01 -3.157512437e-01 4.46 -4.628646033e-02 -2.062600146e-01 -2.975924546e-01 4.48 -4.286292958e-02 -1.927999170e-01 -2.797589639e-01 4.50 -3.963000862e-02 -1.799090584e-01 -2.623461742e-01 4.52 -3.657778870e-02 -1.675856250e-01 -2.454266008e-01 4.54 -3.369657438e-02 -1.558231456e-01 -2.290537221e-01 4.56 -3.097711196e-02 -1.446114739e-01 -2.132652578e-01 4.58 -2.841058454e-02 -1.339376113e-01 -1.980859525e-01 4.60 -2.598860291e-02 -1.237863886e-01 -1.835299259e-01 4.62 -2.370319513e-02 -1.141410382e-01 -1.696026664e-01 4.64 -2.154679384e-02 -1.049836641e-01 -1.563027088e-01 4.66 -1.951222324e-02 -9.629563545e-02 -1.436230523e-01 4.68 -1.759268390e-02 -8.805790129e-02 -1.315523401e-01 4.70 -1.578173742e-02 -8.025124847e-02 -1.200758470e-01 4.72 -1.407329108e-02 -7.285651029e-02 -1.091763040e-01 4.74 -1.246158221e-02 -6.585473215e-02 -9.883457983e-02 4.76 -1.094116343e-02 -5.922730547e-02 -8.903024915e-02 4.78 -9.506886620e-03 -5.295606449e-02 -7.974204793e-02 4.80 -8.153888327e-03 -4.702031581e-02 -7.094825142e-02 4.82 -6.877575164e-03 -4.149608986e-02 -6.262697750e-02 4.84 -5.673610177e-03 -3.630566554e-02 -5.475643293e-02 4.86 -4.537899322e-03 -3.139546156e-02 -4.731510583e-02 4.88 -3.466578221e-03 -2.675096836e-02 -4.028191393e-02 4.90 -2.455999899e-03 -2.235829817e-02 -3.363632070e-02 4.92 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