# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Wu-H-H-Trinkle-D-R--Cu-Ag # implementation = 2009--Wu-H-H--Cu-Ag--LAMMPS--ipr1 # composition = Ag3Cu # 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 7.682602097e+01 nan nan 0.96 7.218672636e+01 nan nan 0.98 6.802866380e+01 nan nan 1.00 6.429032444e+01 nan nan 1.02 6.090658710e+01 nan nan 1.04 5.782131490e+01 7.403880641e+01 nan 1.06 5.498429049e+01 6.953418612e+01 7.794969895e+01 1.08 5.236441528e+01 6.548550398e+01 7.385110700e+01 1.10 4.994758507e+01 6.187743823e+01 7.000426625e+01 1.12 4.773732434e+01 5.866793412e+01 6.637888668e+01 1.14 4.578540557e+01 5.581216530e+01 6.296174110e+01 1.16 4.409655812e+01 5.328311162e+01 5.974589083e+01 1.18 4.265592074e+01 5.106045074e+01 5.681637100e+01 1.20 4.143844788e+01 4.911840866e+01 5.420797699e+01 1.22 4.040678093e+01 4.742202425e+01 5.189959833e+01 1.24 3.952473016e+01 4.593077704e+01 4.985088009e+01 1.26 3.875962471e+01 4.460612698e+01 4.802197563e+01 1.28 3.808216362e+01 4.341177470e+01 4.638460474e+01 1.30 3.746753298e+01 4.231881075e+01 4.492240604e+01 1.32 3.689441187e+01 4.131259999e+01 4.362353115e+01 1.34 3.634581653e+01 4.039301621e+01 4.247605175e+01 1.36 3.581542977e+01 3.956126265e+01 4.146336043e+01 1.38 3.530208611e+01 3.881649882e+01 4.056394079e+01 1.40 3.469048399e+01 3.815605111e+01 3.975235880e+01 1.42 3.381698519e+01 3.757355555e+01 3.900137758e+01 1.44 3.275145863e+01 3.705738225e+01 3.829164569e+01 1.46 3.155370342e+01 3.658974337e+01 3.761644765e+01 1.48 3.026694395e+01 3.614714424e+01 3.697768209e+01 1.50 2.892022051e+01 3.571004580e+01 3.637773186e+01 1.52 2.753183951e+01 3.522978893e+01 3.581820458e+01 1.54 2.611831589e+01 3.453231786e+01 3.529803442e+01 1.56 2.469600295e+01 3.361792676e+01 3.480921509e+01 1.58 2.327792243e+01 3.254338930e+01 3.418919943e+01 1.60 2.187329484e+01 3.135290987e+01 3.339689154e+01 1.62 2.048878834e+01 3.008135607e+01 3.246982277e+01 1.64 1.912941849e+01 2.875618064e+01 3.143560505e+01 1.66 1.779879206e+01 2.739943418e+01 3.031792952e+01 1.68 1.649967303e+01 2.602771910e+01 2.913815699e+01 1.70 1.523394860e+01 2.465279435e+01 2.791429027e+01 1.72 1.400280252e+01 2.328223292e+01 2.666185820e+01 1.74 1.280637604e+01 2.192214018e+01 2.539389997e+01 1.76 1.164426111e+01 2.058839373e+01 2.412064691e+01 1.78 1.051533950e+01 1.928943254e+01 2.285092892e+01 1.80 9.423994530e+00 1.802923624e+01 2.159213126e+01 1.82 8.390748456e+00 1.681004607e+01 2.035023246e+01 1.84 7.418891849e+00 1.563204221e+01 1.912956830e+01 1.86 6.508418202e+00 1.449484593e+01 1.793312125e+01 1.88 5.657615304e+00 1.339714196e+01 1.676289881e+01 1.90 4.863515505e+00 1.233806031e+01 1.562018888e+01 1.92 4.123634473e+00 1.131647436e+01 1.450571795e+01 1.94 3.434297408e+00 1.033080111e+01 1.341976340e+01 1.96 2.793166239e+00 9.379345746e+00 1.236179418e+01 1.98 2.198091851e+00 8.460724554e+00 1.133063484e+01 2.00 1.647070896e+00 7.573605622e+00 1.032461118e+01 2.02 1.138156020e+00 6.725801698e+00 9.355407267e+00 2.04 6.696254690e-01 5.924084108e+00 8.433501382e+00 2.06 2.394630341e-01 5.169089892e+00 7.560574318e+00 2.08 -1.542486802e-01 4.460755459e+00 6.737057458e+00 2.10 -5.133358601e-01 3.798219728e+00 5.961990242e+00 2.12 -8.393186493e-01 3.179473415e+00 5.233050159e+00 2.14 -1.133917281e+00 2.602768760e+00 4.548533943e+00 2.16 -1.398840502e+00 2.065511463e+00 3.905450196e+00 2.18 -1.635871157e+00 1.565682463e+00 3.301589079e+00 2.20 -1.846761909e+00 1.101497595e+00 2.734988310e+00 2.22 -2.033125971e+00 6.712933327e-01 2.203897801e+00 2.24 -2.196824440e+00 2.733220859e-01 1.706391799e+00 2.26 -2.339940406e+00 -9.396835917e-02 1.240736292e+00 2.28 -2.464777330e+00 -4.320121573e-01 8.055673179e-01 2.30 -2.573804471e+00 -7.422990406e-01 3.994521232e-01 2.32 -2.669298462e+00 -1.026149201e+00 2.114458902e-02 2.34 -2.752821881e+00 -1.284950286e+00 -3.307154966e-01 2.36 -2.825492515e+00 -1.519960204e+00 -6.572056129e-01 2.38 -2.888147962e+00 -1.732539405e+00 -9.594057503e-01 2.40 -2.941548530e+00 -1.924005533e+00 -1.238193485e+00 2.42 -2.986346772e+00 -2.095821496e+00 -1.494410872e+00 2.44 -3.022953621e+00 -2.249557555e+00 -1.728893708e+00 2.46 -3.051690484e+00 -2.386722078e+00 -1.942537212e+00 2.48 -3.072882056e+00 -2.508498675e+00 -2.136194725e+00 2.50 -3.086938665e+00 -2.615995448e+00 -2.310914072e+00 2.52 -3.094379351e+00 -2.710241690e+00 -2.467671996e+00 2.54 -3.095716762e+00 -2.792203255e+00 -2.607366167e+00 2.56 -3.091424994e+00 -2.862836763e+00 -2.730926812e+00 2.58 -3.081926019e+00 -2.923016176e+00 -2.839199385e+00 2.60 -3.067599717e+00 -2.973621471e+00 -2.933043867e+00 2.62 -3.048787377e+00 -3.015507498e+00 -3.013214950e+00 2.64 -3.025829659e+00 -3.049427070e+00 -3.080525066e+00 2.66 -2.999061848e+00 -3.075768501e+00 -3.135654190e+00 2.68 -2.968820987e+00 -3.094912867e+00 -3.179279260e+00 2.70 -2.935496184e+00 -3.107277404e+00 -3.212153360e+00 2.72 -2.899574106e+00 -3.113320942e+00 -3.235027351e+00 2.74 -2.861401626e+00 -3.113584939e+00 -3.248694814e+00 2.76 -2.821359894e+00 -3.108672612e+00 -3.254013120e+00 2.78 -2.779845075e+00 -3.099282547e+00 -3.251975508e+00 2.80 -2.737218624e+00 -3.086160470e+00 -3.243678143e+00 2.82 -2.693802010e+00 -3.070045563e+00 -3.230319849e+00 2.84 -2.649841834e+00 -3.051547422e+00 -3.212947469e+00 2.86 -2.605493445e+00 -3.031048585e+00 -3.192249789e+00 2.88 -2.560840544e+00 -3.008817546e+00 -3.168695118e+00 2.90 -2.515977880e+00 -2.985064284e+00 -3.142692207e+00 2.92 -2.471003232e+00 -2.959992606e+00 -3.114561707e+00 2.94 -2.426057831e+00 -2.933732083e+00 -3.084541890e+00 2.96 -2.381292218e+00 -2.906368277e+00 -3.052866791e+00 2.98 -2.336868044e+00 -2.877945620e+00 -3.019756639e+00 3.00 -2.292897165e+00 -2.848511969e+00 -2.985417971e+00 3.02 -2.249478227e+00 -2.818141635e+00 -2.950096908e+00 3.04 -2.206653543e+00 -2.786899477e+00 -2.914056164e+00 3.06 -2.164401948e+00 -2.754776416e+00 -2.877427344e+00 3.08 -2.122703045e+00 -2.721767760e+00 -2.840354712e+00 3.10 -2.081485572e+00 -2.687872887e+00 -2.802953163e+00 3.12 -2.040697486e+00 -2.653098605e+00 -2.765278470e+00 3.14 -2.000288405e+00 -2.617475711e+00 -2.727390310e+00 3.16 -1.960198970e+00 -2.581034393e+00 -2.689346889e+00 3.18 -1.920391057e+00 -2.543839314e+00 -2.651214393e+00 3.20 -1.880889568e+00 -2.505948134e+00 -2.613077775e+00 3.22 -1.841692301e+00 -2.467416671e+00 -2.575004070e+00 3.24 -1.802805603e+00 -2.428304066e+00 -2.537042619e+00 3.26 -1.764240695e+00 -2.388666057e+00 -2.499221385e+00 3.28 -1.725989874e+00 -2.348564575e+00 -2.461524847e+00 3.30 -1.688093668e+00 -2.308060668e+00 -2.423926644e+00 3.32 -1.650513329e+00 -2.267238166e+00 -2.386430770e+00 3.34 -1.613305219e+00 -2.226165364e+00 -2.348977720e+00 3.36 -1.576424051e+00 -2.184955641e+00 -2.311556976e+00 3.38 -1.539937074e+00 -2.143700843e+00 -2.274142375e+00 3.40 -1.503803427e+00 -2.102516923e+00 -2.236716985e+00 3.42 -1.468062918e+00 -2.061505048e+00 -2.199257809e+00 3.44 -1.432711186e+00 -2.020747482e+00 -2.161774403e+00 3.46 -1.397746591e+00 -1.980311721e+00 -2.124286858e+00 3.48 -1.363171216e+00 -1.940243331e+00 -2.086825858e+00 3.50 -1.329009451e+00 -1.900553055e+00 -2.049420267e+00 3.52 -1.295222975e+00 -1.861275737e+00 -2.012113464e+00 3.54 -1.261814213e+00 -1.822356991e+00 -1.974944374e+00 3.56 -1.228821473e+00 -1.783829278e+00 -1.937901324e+00 3.58 -1.196169876e+00 -1.745627731e+00 -1.901034195e+00 3.60 -1.163881363e+00 -1.707781575e+00 -1.864355713e+00 3.62 -1.132012764e+00 -1.670252078e+00 -1.827872396e+00 3.64 -1.100544107e+00 -1.633076979e+00 -1.791621176e+00 3.66 -1.069477117e+00 -1.596226345e+00 -1.755597267e+00 3.68 -1.038858791e+00 -1.559735514e+00 -1.719816195e+00 3.70 -1.008698972e+00 -1.523630705e+00 -1.684319684e+00 3.72 -9.789929728e-01 -1.487889572e+00 -1.649071761e+00 3.74 -9.497426444e-01 -1.452559699e+00 -1.614138828e+00 3.76 -9.209661488e-01 -1.417655293e+00 -1.579461716e+00 3.78 -8.926745188e-01 -1.383144501e+00 -1.545118124e+00 3.80 -8.648652896e-01 -1.349081251e+00 -1.511066426e+00 3.82 -8.375307520e-01 -1.315461394e+00 -1.477345511e+00 3.84 -8.106840869e-01 -1.282253629e+00 -1.443961867e+00 3.86 -7.843239767e-01 -1.249512242e+00 -1.410946938e+00 3.88 -7.584509690e-01 -1.217229146e+00 -1.378297292e+00 3.90 -7.330531459e-01 -1.185364530e+00 -1.346066857e+00 3.92 -7.081267408e-01 -1.153957260e+00 -1.314281402e+00 3.94 -6.836855621e-01 -1.123008014e+00 -1.282918988e+00 3.96 -6.597272569e-01 -1.092498235e+00 -1.252044468e+00 3.98 -6.362440347e-01 -1.062415862e+00 -1.221675465e+00 4.00 -6.132214786e-01 -1.032766876e+00 -1.191736045e+00 4.02 -5.906476032e-01 -1.003554546e+00 -1.162278922e+00 4.04 -5.685267485e-01 -9.747775163e-01 -1.133307064e+00 4.06 -5.468581735e-01 -9.464431999e-01 -1.104790551e+00 4.08 -5.256341178e-01 -9.185565900e-01 -1.076712745e+00 4.10 -5.048464411e-01 -8.911257169e-01 -1.049076403e+00 4.12 -4.844901543e-01 -8.641553350e-01 -1.021871509e+00 4.14 -4.645535232e-01 -8.376486963e-01 -9.950788728e-01 4.16 -4.450251715e-01 -8.116156811e-01 -9.686873942e-01 4.18 -4.258928622e-01 -7.860604417e-01 -9.426934265e-01 4.20 -4.071480798e-01 -7.609808115e-01 -9.170923806e-01 4.22 -3.887886878e-01 -7.363702794e-01 -8.918846856e-01 4.24 -3.708125558e-01 -7.122378958e-01 -8.670646712e-01 4.26 -3.532163001e-01 -6.885972974e-01 -8.426371061e-01 4.28 -3.359968782e-01 -6.654565286e-01 -8.186085823e-01 4.30 -3.191525888e-01 -6.428195681e-01 -7.949780315e-01 4.32 -3.026834581e-01 -6.206886005e-01 -7.717423521e-01 4.34 -2.865928630e-01 -5.990607829e-01 -7.488924475e-01 4.36 -2.708881967e-01 -5.779307862e-01 -7.264288538e-01 4.38 -2.555822773e-01 -5.573007861e-01 -7.043618698e-01 4.40 -2.406916039e-01 -5.371731152e-01 -6.826916904e-01 4.42 -2.262371132e-01 -5.175482423e-01 -6.614192989e-01 4.44 -2.122432823e-01 -4.984196996e-01 -6.405393403e-01 4.46 -1.987480885e-01 -4.797815482e-01 -6.200414241e-01 4.48 -1.858438997e-01 -4.616236602e-01 -5.999142451e-01 4.50 -1.735267415e-01 -4.439357876e-01 -5.801617222e-01 4.52 -1.617694889e-01 -4.267059524e-01 -5.607894259e-01 4.54 -1.505503710e-01 -4.099201553e-01 -5.417942264e-01 4.56 -1.398619860e-01 -3.935660987e-01 -5.231712804e-01 4.58 -1.296861463e-01 -3.776353813e-01 -5.049159711e-01 4.60 -1.200424683e-01 -3.621235409e-01 -4.870261150e-01 4.62 -1.110295392e-01 -3.470240323e-01 -4.694940109e-01 4.64 -1.027019435e-01 -3.323301375e-01 -4.523137614e-01 4.66 -9.506902362e-02 -3.180329019e-01 -4.354781519e-01 4.68 -8.811003838e-02 -3.041255608e-01 -4.189823169e-01 4.70 -8.178766041e-02 -2.906037352e-01 -4.028222901e-01 4.72 -7.605815872e-02 -2.774676852e-01 -3.869990520e-01 4.74 -7.086547744e-02 -2.647193584e-01 -3.715120683e-01 4.76 -6.616192791e-02 -2.523617528e-01 -3.563598817e-01 4.78 -6.192188486e-02 -2.403990352e-01 -3.415404516e-01 4.80 -5.812054797e-02 -2.288347587e-01 -3.270519957e-01 4.82 -5.473340250e-02 -2.176740233e-01 -3.128930182e-01 4.84 -5.174062646e-02 -2.069476114e-01 -2.990630027e-01 4.86 -4.912052038e-02 -1.966466349e-01 -2.855624389e-01 4.88 -4.685730949e-02 -1.867436463e-01 -2.723932054e-01 4.90 -4.494198036e-02 -1.772072203e-01 -2.595583167e-01 4.92 -4.331965983e-02 -1.680098598e-01 -2.470611354e-01 4.94 -4.193741355e-02 -1.591307003e-01 -2.349057710e-01 4.96 -4.074930923e-02 -1.505442520e-01 -2.230953467e-01 4.98 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