# 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 = AuNi3 # 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 4.832724975e+02 nan nan 0.92 4.364562906e+02 nan nan 0.94 3.943038862e+02 nan nan 0.96 3.563355365e+02 nan nan 0.98 3.221184266e+02 4.860288171e+02 nan 1.00 2.912639619e+02 4.427266712e+02 5.061812537e+02 1.02 2.634395032e+02 4.034029951e+02 4.626112704e+02 1.04 2.383417387e+02 3.676725965e+02 4.228829669e+02 1.06 2.156927529e+02 3.351950601e+02 3.866365848e+02 1.08 1.952540715e+02 3.056636942e+02 3.535515747e+02 1.10 1.768038335e+02 2.787957865e+02 3.233429822e+02 1.12 1.601477655e+02 2.543451363e+02 2.957478283e+02 1.14 1.451084058e+02 2.320895029e+02 2.705402349e+02 1.16 1.315225235e+02 2.118313607e+02 2.475105190e+02 1.18 1.192439523e+02 1.933807311e+02 2.264661328e+02 1.20 1.081448944e+02 1.765773466e+02 2.072379131e+02 1.22 9.810633301e+01 1.612700569e+02 1.896656266e+02 1.24 8.901858773e+01 1.473231975e+02 1.736072176e+02 1.26 8.079297852e+01 1.346104802e+02 1.589261575e+02 1.28 7.334236096e+01 1.230164812e+02 1.455071619e+02 1.30 6.659003440e+01 1.124420638e+02 1.332396012e+02 1.32 6.046283832e+01 1.027935627e+02 1.220235497e+02 1.34 5.490125078e+01 9.398453502e+01 1.117634247e+02 1.36 4.985018756e+01 8.594101516e+01 1.023743848e+02 1.38 4.526109837e+01 7.859391063e+01 9.378455654e+01 1.40 4.108794225e+01 7.187796227e+01 8.592088055e+01 1.42 3.729052769e+01 6.573397200e+01 7.872163498e+01 1.44 3.383158085e+01 6.011358144e+01 7.212923278e+01 1.46 3.068154641e+01 5.497065862e+01 6.608869026e+01 1.48 2.781094214e+01 5.026116806e+01 6.055284121e+01 1.50 2.519365885e+01 4.594705125e+01 5.547826808e+01 1.52 2.280627423e+01 4.199429670e+01 5.082424435e+01 1.54 2.062735736e+01 3.837102476e+01 4.655119486e+01 1.56 1.863786928e+01 3.504834012e+01 4.262875661e+01 1.58 1.681841060e+01 3.200010541e+01 3.902770130e+01 1.60 1.515742297e+01 2.920262657e+01 3.572035830e+01 1.62 1.363933686e+01 2.663135695e+01 3.267857575e+01 1.64 1.225330242e+01 2.426979761e+01 2.988294195e+01 1.66 1.098887558e+01 2.210072827e+01 2.731268598e+01 1.68 9.776197964e+00 2.010820544e+01 2.494880428e+01 1.70 8.693157508e+00 1.827705673e+01 2.277391881e+01 1.72 7.660304899e+00 1.659170996e+01 2.077208438e+01 1.74 6.679713534e+00 1.504331745e+01 1.892989593e+01 1.76 5.750683036e+00 1.362076586e+01 1.723438268e+01 1.78 4.872643695e+00 1.231393453e+01 1.567371588e+01 1.80 4.046732138e+00 1.111445996e+01 1.423710657e+01 1.82 3.271608670e+00 9.989984212e+00 1.291362223e+01 1.84 2.546033232e+00 8.925917483e+00 1.169297961e+01 1.86 1.868809042e+00 7.956390418e+00 1.057062762e+01 1.88 1.238529382e+00 7.029782368e+00 9.479922365e+00 1.90 6.536329883e-01 6.148243342e+00 8.510915875e+00 1.92 1.124647942e-01 5.310555378e+00 7.584374316e+00 1.94 -3.857726393e-01 4.516894287e+00 6.700392550e+00 1.96 -8.426167048e-01 3.767237959e+00 5.858855389e+00 1.98 -1.261402609e+00 3.060769041e+00 5.058652424e+00 2.00 -1.643870213e+00 2.396531412e+00 4.300325594e+00 2.02 -1.991775221e+00 1.773467542e+00 3.583241990e+00 2.04 -2.306874915e+00 1.190420956e+00 2.906633556e+00 2.06 -2.591333913e+00 6.461544189e-01 2.269613586e+00 2.08 -2.846850483e+00 1.393290476e-01 1.671194026e+00 2.10 -3.074618312e+00 -3.318291791e-01 1.110252744e+00 2.12 -3.276389668e+00 -7.666499635e-01 5.853621080e-01 2.14 -3.453755658e+00 -1.167753667e+00 9.572870089e-02 2.16 -3.608626596e+00 -1.537262284e+00 -3.607072311e-01 2.18 -3.741410240e+00 -1.876523881e+00 -7.831520363e-01 2.20 -3.854324142e+00 -2.186830839e+00 -1.173829335e+00 2.22 -3.948808847e+00 -2.469689027e+00 -1.534551216e+00 2.24 -4.026217655e+00 -2.726362416e+00 -1.866591553e+00 2.26 -4.087846187e+00 -2.958153376e+00 -2.171222961e+00 2.28 -4.134931165e+00 -3.166390740e+00 -2.449724602e+00 2.30 -4.168649584e+00 -3.352375530e+00 -2.703345196e+00 2.32 -4.190118296e+00 -3.517378029e+00 -2.933313336e+00 2.34 -4.200393948e+00 -3.662635341e+00 -3.140841568e+00 2.36 -4.200473268e+00 -3.788983782e+00 -3.327118344e+00 2.38 -4.191293659e+00 -3.897416933e+00 -3.493305455e+00 2.40 -4.173685306e+00 -3.989669831e+00 -3.640542419e+00 2.42 -4.148866915e+00 -4.067289075e+00 -3.770607059e+00 2.44 -4.117380983e+00 -4.130833176e+00 -3.883072972e+00 2.46 -4.079788599e+00 -4.181292151e+00 -3.979735372e+00 2.48 -4.036743063e+00 -4.219622500e+00 -4.061643094e+00 2.50 -3.988856021e+00 -4.246739721e+00 -4.129906777e+00 2.52 -3.935933471e+00 -4.264505530e+00 -4.185314892e+00 2.54 -3.878385739e+00 -4.273211451e+00 -4.228752871e+00 2.56 -3.817682864e+00 -4.273132328e+00 -4.261081275e+00 2.58 -3.755197768e+00 -4.265013191e+00 -4.283122567e+00 2.60 -3.690680728e+00 -4.249557214e+00 -4.295661004e+00 2.62 -3.624135453e+00 -4.227329627e+00 -4.299442759e+00 2.64 -3.555901195e+00 -4.199025500e+00 -4.295176106e+00 2.66 -3.486273653e+00 -4.165253207e+00 -4.283531817e+00 2.68 -3.415993039e+00 -4.126558338e+00 -4.265141138e+00 2.70 -3.344911230e+00 -4.083449826e+00 -4.240496346e+00 2.72 -3.273051349e+00 -4.036395741e+00 -4.210259446e+00 2.74 -3.200557269e+00 -3.985234263e+00 -4.174968095e+00 2.76 -3.127866879e+00 -3.930023440e+00 -4.135122051e+00 2.78 -3.055167505e+00 -3.872209423e+00 -4.091961888e+00 2.80 -2.982654852e+00 -3.812153951e+00 -4.046162779e+00 2.82 -2.910397441e+00 -3.750127424e+00 -3.996130387e+00 2.84 -2.838519160e+00 -3.686419554e+00 -3.942544947e+00 2.86 -2.767130926e+00 -3.621296939e+00 -3.886437161e+00 2.88 -2.696331735e+00 -3.555004526e+00 -3.828124936e+00 2.90 -2.626209683e+00 -3.487781535e+00 -3.767900369e+00 2.92 -2.556842921e+00 -3.419977303e+00 -3.706033698e+00 2.94 -2.488300490e+00 -3.351643798e+00 -3.642774519e+00 2.96 -2.420643055e+00 -3.283718439e+00 -3.578353003e+00 2.98 -2.353923600e+00 -3.215288091e+00 -3.512981150e+00 3.00 -2.288188127e+00 -3.146750363e+00 -3.446853844e+00 3.02 -2.223476513e+00 -3.078233133e+00 -3.380147214e+00 3.04 -2.159822773e+00 -3.009857374e+00 -3.313021827e+00 3.06 -2.097249545e+00 -2.941732687e+00 -3.245319491e+00 3.08 -2.035799221e+00 -2.873958071e+00 -3.177497397e+00 3.10 -1.975704450e+00 -2.806622750e+00 -3.109692336e+00 3.12 -1.916513241e+00 -2.739806980e+00 -3.042017539e+00 3.14 -1.857974587e+00 -2.673582739e+00 -2.974575810e+00 3.16 -1.800478675e+00 -2.608014381e+00 -2.907460157e+00 3.18 -1.744222194e+00 -2.543159268e+00 -2.840754719e+00 3.20 -1.689161516e+00 -2.479068422e+00 -2.774532202e+00 3.22 -1.635421089e+00 -2.415786821e+00 -2.709028214e+00 3.24 -1.582877492e+00 -2.353353862e+00 -2.644169001e+00 3.26 -1.531474667e+00 -2.291804123e+00 -2.579969474e+00 3.28 -1.481188968e+00 -2.231167922e+00 -2.516479708e+00 3.30 -1.432032842e+00 -2.171468114e+00 -2.453744150e+00 3.32 -1.384014887e+00 -2.112732318e+00 -2.391802125e+00 3.34 -1.337131601e+00 -2.054999852e+00 -2.330688089e+00 3.36 -1.291369124e+00 -1.998199582e+00 -2.270432461e+00 3.38 -1.246718959e+00 -1.942293924e+00 -2.211063310e+00 3.40 -1.203163993e+00 -1.887204155e+00 -2.152780725e+00 3.42 -1.160712641e+00 -1.833075668e+00 -2.095850327e+00 3.44 -1.119290360e+00 -1.779907351e+00 -2.039877152e+00 3.46 -1.078851832e+00 -1.727806522e+00 -1.984905029e+00 3.48 -1.039441806e+00 -1.676754683e+00 -1.930597449e+00 3.50 -1.001121833e+00 -1.626746526e+00 -1.876845835e+00 3.52 -9.639390308e-01 -1.577766568e+00 -1.823972715e+00 3.54 -9.278904195e-01 -1.529793878e+00 -1.772137973e+00 3.56 -8.927829649e-01 -1.482808180e+00 -1.721298763e+00 3.58 -8.586331259e-01 -1.436800111e+00 -1.671446529e+00 3.60 -8.254446065e-01 -1.391785300e+00 -1.622592436e+00 3.62 -7.932274856e-01 -1.347765652e+00 -1.574722078e+00 3.64 -7.619946920e-01 -1.304727903e+00 -1.527809161e+00 3.66 -7.317594481e-01 -1.262660431e+00 -1.481835695e+00 3.68 -7.027260992e-01 -1.221565100e+00 -1.436803777e+00 3.70 -6.747966596e-01 -1.181421983e+00 -1.392714414e+00 3.72 -6.474927253e-01 -1.142224112e+00 -1.349572622e+00 3.74 -6.204711810e-01 -1.103923344e+00 -1.307383001e+00 3.76 -5.934860413e-01 -1.066490984e+00 -1.266123854e+00 3.78 -5.664773294e-01 -1.029954872e+00 -1.225777799e+00 3.80 -5.394414090e-01 -9.942812189e-01 -1.186351324e+00 3.82 -5.124034056e-01 -9.595016277e-01 -1.147854633e+00 3.84 -4.854083909e-01 -9.257003204e-01 -1.110231522e+00 3.86 -4.585143963e-01 -8.929153603e-01 -1.073396400e+00 3.88 -4.317403397e-01 -8.610864862e-01 -1.037410077e+00 3.90 -4.050663211e-01 -8.301860118e-01 -1.002324968e+00 3.92 -3.788885058e-01 -8.002139152e-01 -9.681789102e-01 3.94 -3.563256791e-01 -7.712177392e-01 -9.350607132e-01 3.96 -3.344886085e-01 -7.430495095e-01 -9.026663514e-01 3.98 -3.134606914e-01 -7.155803658e-01 -8.711509439e-01 4.00 -2.932904404e-01 -6.887580044e-01 -8.405577427e-01 4.02 -2.740074282e-01 -6.626480747e-01 -8.108652401e-01 4.04 -2.556249707e-01 -6.369864027e-01 -7.820591606e-01 4.06 -2.381435394e-01 -6.115419998e-01 -7.541300525e-01 4.08 -2.215535733e-01 -5.861297622e-01 -7.271103532e-01 4.10 -2.058377889e-01 -5.606809709e-01 -7.011904235e-01 4.12 -1.909730788e-01 -5.352099000e-01 -6.760400083e-01 4.14 -1.769320606e-01 -5.097289303e-01 -6.513273389e-01 4.16 -1.636843288e-01 -4.845033868e-01 -6.268185701e-01 4.18 -1.511974675e-01 -4.610481661e-01 -6.023492949e-01 4.20 -1.394378698e-01 -4.378215698e-01 -5.777964971e-01 4.22 -1.283713803e-01 -4.149367258e-01 -5.531613977e-01 4.24 -1.179638021e-01 -3.924052832e-01 -5.284766416e-01 4.26 -1.081812956e-01 -3.702846366e-01 -5.037871257e-01 4.28 -9.899982859e-02 -3.487066251e-01 -4.791456805e-01 4.30 -9.083928152e-02 -3.277702977e-01 -4.546095383e-01 4.32 -8.414298873e-02 -3.075475382e-01 -4.301338321e-01 4.34 -7.783957274e-02 -2.880880007e-01 -4.058187427e-01 4.36 -7.191972438e-02 -2.694232337e-01 -3.818786706e-01 4.38 -6.636157255e-02 -2.515701444e-01 -3.584787679e-01 4.40 -6.114435629e-02 -2.345338952e-01 -3.357435450e-01 4.42 -5.624825896e-02 -2.183103251e-01 -3.137641259e-01 4.44 -5.165441309e-02 -2.028879471e-01 -2.926043230e-01 4.46 -4.734489574e-02 -1.882496138e-01 -2.723057427e-01 4.48 -4.330271529e-02 -1.743738968e-01 -2.528920656e-01 4.50 -3.951178907e-02 -1.612362141e-01 -2.343726070e-01 4.52 -3.595691516e-02 -1.488097505e-01 -2.167452776e-01 4.54 -3.262374130e-02 -1.370662100e-01 -1.999990446e-01 4.56 -2.949873330e-02 -1.259764335e-01 -1.841159815e-01 4.58 -2.656913777e-02 -1.155108788e-01 -1.690729331e-01 4.60 -2.382294611e-02 -1.056400095e-01 -1.548428924e-01 4.62 -2.124885863e-02 -9.633460255e-02 -1.413961277e-01 4.64 -1.883624902e-02 -8.756598709e-02 -1.287010978e-01 4.66 -1.657512778e-02 -7.930622052e-02 -1.167251828e-01 4.68 -1.445610764e-02 -7.152822152e-02 -1.054352711e-01 4.70 -1.247037136e-02 -6.420587095e-02 -9.479823507e-02 4.72 -1.060963826e-02 -5.731407141e-02 -8.478128861e-02 4.74 -8.866133502e-03 -5.082878753e-02 -7.535227029e-02 4.76 -7.232558669e-03 -4.472706641e-02 -6.647985811e-02 4.78 -5.704812547e-03 -3.899795193e-02 -5.815034942e-02 4.80 -4.278928252e-03 -3.362560096e-02 -5.034926620e-02 4.82 -3.608509989e-03 -3.134795654e-02 -4.702193024e-02 4.84 -2.993073939e-03 -2.929684884e-02 -4.394527326e-02 4.86 -2.418881154e-03 -2.736241954e-02 -4.104362931e-02 4.88 -1.883296012e-03 -2.553849063e-02 -3.830773594e-02 4.90 -1.383798612e-03 -2.381899192e-02 -3.572848788e-02 4.92 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