# 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--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 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 4.371574014e+02 nan nan 1.02 4.003375858e+02 nan nan 1.04 3.667950859e+02 nan nan 1.06 3.362048928e+02 nan nan 1.08 3.082807989e+02 nan nan 1.10 2.827677849e+02 4.202319677e+02 nan 1.12 2.594375769e+02 3.876279450e+02 4.400420239e+02 1.14 2.380856201e+02 3.576927192e+02 4.067401378e+02 1.16 2.185296197e+02 3.301866763e+02 3.760991191e+02 1.18 2.006072791e+02 3.048909545e+02 3.478813717e+02 1.20 1.841737794e+02 2.816074097e+02 3.218744290e+02 1.22 1.690986266e+02 2.601578182e+02 2.978890812e+02 1.24 1.552637361e+02 2.403825867e+02 2.757550128e+02 1.26 1.425619045e+02 2.221402831e+02 2.553181488e+02 1.28 1.308954539e+02 2.053052927e+02 2.364388524e+02 1.30 1.201748170e+02 1.897638281e+02 2.189891681e+02 1.32 1.103179478e+02 1.754110718e+02 2.028521560e+02 1.34 1.012499899e+02 1.621501193e+02 1.879211792e+02 1.36 9.290312587e+01 1.498923444e+02 1.740993476e+02 1.38 8.521610758e+01 1.385571322e+02 1.612979000e+02 1.40 7.813426840e+01 1.280711829e+02 1.494352238e+02 1.42 7.160884131e+01 1.183676831e+02 1.384367675e+02 1.44 6.559601721e+01 1.093851881e+02 1.282353322e+02 1.46 6.005545866e+01 1.010665268e+02 1.187702887e+02 1.48 5.494958293e+01 9.335909433e+01 1.099871365e+02 1.50 5.024314360e+01 8.621476315e+01 1.018353830e+02 1.52 4.590357753e+01 7.959003413e+01 9.426799103e+01 1.54 4.190124371e+01 7.344589567e+01 8.724143269e+01 1.56 3.820929970e+01 6.774668830e+01 8.071533096e+01 1.58 3.480333420e+01 6.245951347e+01 7.465256606e+01 1.60 3.166097415e+01 5.755397751e+01 6.901905461e+01 1.62 2.876147650e+01 5.300199637e+01 6.378333028e+01 1.64 2.608558946e+01 4.877779897e+01 5.891643364e+01 1.66 2.361547945e+01 4.485755791e+01 5.439137628e+01 1.68 2.133671271e+01 4.121913361e+01 5.018299753e+01 1.70 1.923721984e+01 3.784200766e+01 4.626805782e+01 1.72 1.730332408e+01 3.470708415e+01 4.262522126e+01 1.74 1.552264996e+01 3.179663411e+01 3.923515447e+01 1.76 1.388379083e+01 2.909417090e+01 3.608027954e+01 1.78 1.237617440e+01 2.658441132e+01 3.314454876e+01 1.80 1.098988701e+01 2.425319599e+01 3.041302844e+01 1.82 9.715648239e+00 2.208790705e+01 2.787179769e+01 1.84 8.544764729e+00 2.007967921e+01 2.550777141e+01 1.86 7.469170631e+00 1.821831646e+01 2.330873541e+01 1.88 6.481411852e+00 1.649369418e+01 2.126416274e+01 1.90 5.574679284e+00 1.489641638e+01 1.936576821e+01 1.92 4.742743868e+00 1.341762917e+01 1.760332013e+01 1.94 3.979925994e+00 1.204895926e+01 1.596720509e+01 1.96 3.281016815e+00 1.078246647e+01 1.444853311e+01 1.98 2.641248943e+00 9.610720413e+00 1.303912695e+01 2.00 2.056273513e+00 8.526819142e+00 1.173138561e+01 2.02 1.522134205e+00 7.524438690e+00 1.051822763e+01 2.04 1.035236486e+00 6.597832805e+00 9.393082247e+00 2.06 5.922541713e-01 5.741761210e+00 8.349875715e+00 2.08 1.900693273e-01 4.951388413e+00 7.382987709e+00 2.10 -1.742818122e-01 4.222245144e+00 6.487319958e+00 2.12 -5.036606658e-01 3.550129404e+00 5.658181334e+00 2.14 -8.008307491e-01 2.931091268e+00 4.891269459e+00 2.16 -1.068463180e+00 2.361400683e+00 4.182577877e+00 2.18 -1.309116300e+00 1.837535281e+00 3.528301367e+00 2.20 -1.525197984e+00 1.356226131e+00 2.924828540e+00 2.22 -1.718949769e+00 9.143999383e-01 2.368622906e+00 2.24 -1.892404434e+00 5.092389970e-01 1.856309786e+00 2.26 -2.047380027e+00 1.381105026e-01 1.384626695e+00 2.28 -2.185466474e+00 -2.013969507e-01 9.505591006e-01 2.30 -2.308043863e+00 -5.115446673e-01 5.513124339e-01 2.32 -2.416302756e+00 -7.944257157e-01 1.844036069e-01 2.34 -2.511403404e+00 -1.052001951e+00 -1.524133348e-01 2.36 -2.594379218e+00 -1.286084976e+00 -4.611455778e-01 2.38 -2.665793852e+00 -1.498346162e+00 -7.436224512e-01 2.40 -2.726222570e+00 -1.690316211e+00 -1.001536701e+00 2.42 -2.776264620e+00 -1.863401114e+00 -1.236482586e+00 2.44 -2.816555035e+00 -2.018899391e+00 -1.449977950e+00 2.46 -2.847754207e+00 -2.158025537e+00 -1.643482437e+00 2.48 -2.870542945e+00 -2.281930505e+00 -1.818424809e+00 2.50 -2.885891508e+00 -2.391718849e+00 -1.976184749e+00 2.52 -2.894501381e+00 -2.488445719e+00 -2.118099737e+00 2.54 -2.896629936e+00 -2.573149688e+00 -2.245464510e+00 2.56 -2.892591467e+00 -2.647033740e+00 -2.359493745e+00 2.58 -2.882741344e+00 -2.710994338e+00 -2.461319982e+00 2.60 -2.867464003e+00 -2.765710710e+00 -2.551963677e+00 2.62 -2.847171485e+00 -2.811866481e+00 -2.632363691e+00 2.64 -2.822306413e+00 -2.850150323e+00 -2.703484760e+00 2.66 -2.793364916e+00 -2.881222369e+00 -2.765834498e+00 2.68 -2.760865996e+00 -2.905704942e+00 -2.819803404e+00 2.70 -2.725328082e+00 -2.924174800e+00 -2.865742424e+00 2.72 -2.687250659e+00 -2.937391955e+00 -2.903982149e+00 2.74 -2.647096708e+00 -2.945810367e+00 -2.934850067e+00 2.76 -2.605276290e+00 -2.949559502e+00 -2.958677913e+00 2.78 -2.562140786e+00 -2.948773156e+00 -2.975823126e+00 2.80 -2.517975207e+00 -2.943592872e+00 -2.986944742e+00 2.82 -2.473005782e+00 -2.934168959e+00 -2.992396937e+00 2.84 -2.427406244e+00 -2.920650394e+00 -2.992369946e+00 2.86 -2.381310272e+00 -2.903191905e+00 -2.987143365e+00 2.88 -2.334812119e+00 -2.881961047e+00 -2.977074287e+00 2.90 -2.287980586e+00 -2.857151066e+00 -2.962567385e+00 2.92 -2.240872878e+00 -2.828971163e+00 -2.944066302e+00 2.94 -2.193530929e+00 -2.797641959e+00 -2.922002075e+00 2.96 -2.145994640e+00 -2.763399175e+00 -2.896789533e+00 2.98 -2.098305293e+00 -2.726495608e+00 -2.868818252e+00 3.00 -2.050506599e+00 -2.687203065e+00 -2.838422015e+00 3.02 -2.002649673e+00 -2.645812353e+00 -2.805879416e+00 3.04 -1.954789237e+00 -2.602628766e+00 -2.771418785e+00 3.06 -1.906986342e+00 -2.557968259e+00 -2.735234892e+00 3.08 -1.859305336e+00 -2.512144825e+00 -2.697497340e+00 3.10 -1.811813593e+00 -2.465458833e+00 -2.658362908e+00 3.12 -1.764579932e+00 -2.418185223e+00 -2.617981009e+00 3.14 -1.717673958e+00 -2.370562413e+00 -2.576497144e+00 3.16 -1.671165019e+00 -2.322786020e+00 -2.534051041e+00 3.18 -1.625119945e+00 -2.275007574e+00 -2.490776942e+00 3.20 -1.579603224e+00 -2.227336364e+00 -2.446796766e+00 3.22 -1.534676808e+00 -2.179847255e+00 -2.402221264e+00 3.24 -1.490395788e+00 -2.132585108e+00 -2.357143054e+00 3.26 -1.446815440e+00 -2.085582813e+00 -2.311649703e+00 3.28 -1.403979925e+00 -2.038854995e+00 -2.265807933e+00 3.30 -1.361927935e+00 -1.992412831e+00 -2.219676718e+00 3.32 -1.320692519e+00 -1.946267765e+00 -2.173310495e+00 3.34 -1.280298391e+00 -1.900433589e+00 -2.126760816e+00 3.36 -1.240765037e+00 -1.854928934e+00 -2.080079657e+00 3.38 -1.202104611e+00 -1.809772373e+00 -2.033323354e+00 3.40 -1.164323744e+00 -1.765007007e+00 -1.986552531e+00 3.42 -1.127424223e+00 -1.720660509e+00 -1.939836046e+00 3.44 -1.091403284e+00 -1.676769548e+00 -1.893247446e+00 3.46 -1.056249688e+00 -1.633374091e+00 -1.846870910e+00 3.48 -1.021964193e+00 -1.590513499e+00 -1.800795608e+00 3.50 -9.885280933e-01 -1.548224645e+00 -1.755116246e+00 3.52 -9.559261581e-01 -1.506542097e+00 -1.709930136e+00 3.54 -9.241409533e-01 -1.465495963e+00 -1.665334884e+00 3.56 -8.931518146e-01 -1.425111408e+00 -1.621422694e+00 3.58 -8.629361640e-01 -1.385407674e+00 -1.578276372e+00 3.60 -8.334661539e-01 -1.346398749e+00 -1.535966820e+00 3.62 -8.047165700e-01 -1.308093185e+00 -1.494549850e+00 3.64 -7.766533871e-01 -1.270494089e+00 -1.454061739e+00 3.66 -7.492430652e-01 -1.233601063e+00 -1.414524344e+00 3.68 -7.224479282e-01 -1.197410302e+00 -1.375941412e+00 3.70 -6.962288498e-01 -1.161916090e+00 -1.338303945e+00 3.72 -6.705450732e-01 -1.127112243e+00 -1.301591046e+00 3.74 -6.453539664e-01 -1.092992418e+00 -1.265766500e+00 3.76 -6.206149943e-01 -1.059553409e+00 -1.230811200e+00 3.78 -5.962878472e-01 -1.026792930e+00 -1.196678768e+00 3.80 -5.723363792e-01 -9.947138464e-01 -1.163332782e+00 3.82 -5.487297844e-01 -9.633201675e-01 -1.130735413e+00 3.84 -5.254446646e-01 -9.326205664e-01 -1.098854359e+00 3.86 -5.024663757e-01 -9.026220647e-01 -1.067656760e+00 3.88 -4.797928984e-01 -8.733339707e-01 -1.037116521e+00 3.90 -4.574333815e-01 -8.447616901e-01 -1.007210537e+00 3.92 -4.354121210e-01 -8.169080089e-01 -9.779189346e-01 3.94 -4.137653262e-01 -7.897703793e-01 -9.492262584e-01 3.96 -3.925419019e-01 -7.633359566e-01 -9.211180524e-01 3.98 -3.718007569e-01 -7.375996524e-01 -8.935841424e-01 4.00 -3.516074188e-01 -7.125364586e-01 -8.666137332e-01 4.02 -3.320308642e-01 -6.881212243e-01 -8.401974937e-01 4.04 -3.131389680e-01 -6.643263426e-01 -8.143267525e-01 4.06 -2.949957476e-01 -6.411203597e-01 -7.889921048e-01 4.08 -2.776551275e-01 -6.184700739e-01 -7.641816996e-01 4.10 -2.611611585e-01 -5.963429800e-01 -7.398848368e-01 4.12 -2.455436773e-01 -5.747071473e-01 -7.160883977e-01 4.14 -2.308171285e-01 -5.535319570e-01 -6.927780533e-01 4.16 -2.169808676e-01 -5.327905557e-01 -6.699382041e-01 4.18 -2.040190380e-01 -5.124594962e-01 -6.475534178e-01 4.20 -1.919028232e-01 -4.925215137e-01 -6.256080765e-01 4.22 -1.805915409e-01 -4.729632540e-01 -6.040860207e-01 4.24 -1.700362535e-01 -4.537799573e-01 -5.829736252e-01 4.26 -1.601820106e-01 -4.349730896e-01 -5.622592647e-01 4.28 -1.509710080e-01 -4.165504833e-01 -5.419330267e-01 4.30 -1.423453869e-01 -3.985275094e-01 -5.219898352e-01 4.32 -1.342493329e-01 -3.809257436e-01 -5.024294432e-01 4.34 -1.266313755e-01 -3.637712133e-01 -4.832559386e-01 4.36 -1.194449502e-01 -3.470935305e-01 -4.644784097e-01 4.38 -1.126504546e-01 -3.309237917e-01 -4.461118640e-01 4.40 -1.062145209e-01 -3.152930239e-01 -4.281752824e-01 4.42 -1.001105339e-01 -3.002286485e-01 -4.106893670e-01 4.44 -9.431787575e-02 -2.857547155e-01 -3.936779557e-01 4.46 -8.882129834e-02 -2.718893616e-01 -3.771641253e-01 4.48 -8.360954526e-02 -2.586429217e-01 -3.611676797e-01 4.50 -7.867422882e-02 -2.460181169e-01 -3.457046309e-01 4.52 -7.400898193e-02 -2.340097166e-01 -3.307852350e-01 4.54 -6.960746151e-02 -2.226040724e-01 -3.164123349e-01 4.56 -6.546319263e-02 -2.117798979e-01 -3.025807405e-01 4.58 -6.156827106e-02 -2.015099400e-01 -2.892760257e-01 4.60 -5.791324675e-02 -1.917613056e-01 -2.764821811e-01 4.62 -5.448685623e-02 -1.824974742e-01 -2.641711874e-01 4.64 -5.127587627e-02 -1.736783210e-01 -2.523109106e-01 4.66 -4.826593086e-02 -1.652634209e-01 -2.408668765e-01 4.68 -4.544135591e-02 -1.572120758e-01 -2.298021954e-01 4.70 -4.278602142e-02 -1.494843314e-01 -2.190789224e-01 4.72 -4.028354107e-02 -1.420423356e-01 -2.086598721e-01 4.74 -3.791797171e-02 -1.348511310e-01 -1.985099088e-01 4.76 -3.567433574e-02 -1.278792060e-01 -1.885970572e-01 4.78 -3.353867283e-02 -1.210985664e-01 -1.788926267e-01 4.80 -3.149853373e-02 -1.144861715e-01 -1.693735110e-01 4.82 -2.954303185e-02 -1.080236167e-01 -1.600219018e-01 4.84 -2.766296492e-02 -1.016972005e-01 -1.508256069e-01 4.86 -2.585106392e-02 -9.549875964e-02 -1.417795057e-01 4.88 -2.410192058e-02 -8.942527406e-02 -1.328851488e-01 4.90 -2.241190776e-02 -8.347864742e-02 -1.241505591e-01 4.92 -2.077912341e-02 -7.766553345e-02 -1.155900488e-01 4.94 -1.920327142e-02 -7.199713600e-02 -1.072240557e-01 4.96 -1.768514215e-02 -6.648809505e-02 -9.907763818e-02 4.98 -1.622676749e-02 -6.115555902e-02 -9.117917915e-02 5.00 -1.483106554e-02 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