# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Samolyuk-G-D-Beland-L-K-Stocks-G-M-Stoller-R-E--Ni-Pd # implementation = 2016--Samolyuk-G-D--Ni-Pd--LAMMPS--ipr1 # composition = NiPd3 # 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 4.362965135e+02 nan nan 1.02 3.938028128e+02 nan nan 1.04 3.572429394e+02 nan nan 1.06 3.258361431e+02 nan nan 1.08 2.988401538e+02 nan nan 1.10 2.755961263e+02 4.112337497e+02 4.786933717e+02 1.12 2.555010433e+02 3.742826707e+02 4.344861959e+02 1.14 2.380538855e+02 3.421467543e+02 3.955034471e+02 1.16 2.228438442e+02 3.142369508e+02 3.611718197e+02 1.18 2.095794473e+02 2.900070840e+02 3.310135812e+02 1.20 1.980274432e+02 2.689561364e+02 3.046062331e+02 1.22 1.879631320e+02 2.506406458e+02 2.815669220e+02 1.24 1.791594148e+02 2.347086234e+02 2.615479229e+02 1.26 1.708810578e+02 2.208638517e+02 2.442119560e+02 1.28 1.623619371e+02 2.088279633e+02 2.292423003e+02 1.30 1.535552009e+02 1.983376710e+02 2.163416710e+02 1.32 1.445358905e+02 1.891227583e+02 2.052123701e+02 1.34 1.354926179e+02 1.809842861e+02 1.955726653e+02 1.36 1.265683118e+02 1.737195598e+02 1.871634887e+02 1.38 1.178676327e+02 1.664730714e+02 1.797425455e+02 1.40 1.094590683e+02 1.588925193e+02 1.730760358e+02 1.42 1.013839641e+02 1.509084985e+02 1.663369146e+02 1.44 9.368214767e+01 1.427266948e+02 1.591777771e+02 1.46 8.638169694e+01 1.345331502e+02 1.515570648e+02 1.48 7.949546178e+01 1.264585068e+02 1.436854643e+02 1.50 7.302340552e+01 1.185878463e+02 1.357304216e+02 1.52 6.695818740e+01 1.109689817e+02 1.278073403e+02 1.54 6.128865668e+01 1.036269059e+02 1.200095735e+02 1.56 5.600048015e+01 9.658477869e+01 1.124095073e+02 1.58 5.107455414e+01 8.985154203e+01 1.050627589e+02 1.60 4.648896012e+01 8.342682009e+01 9.800741527e+01 1.62 4.222180543e+01 7.730915529e+01 9.126926332e+01 1.64 3.825223914e+01 7.149762875e+01 8.486292180e+01 1.66 3.456046746e+01 6.599219915e+01 7.879425570e+01 1.68 3.112779328e+01 6.079269270e+01 7.306011323e+01 1.70 2.793666791e+01 5.589674353e+01 6.764749719e+01 1.72 2.497170307e+01 5.129733060e+01 6.253851919e+01 1.74 2.222057997e+01 4.698290932e+01 5.771417593e+01 1.76 1.967412576e+01 4.294090156e+01 5.315742736e+01 1.78 1.732348341e+01 3.915875595e+01 4.885646041e+01 1.80 1.515893493e+01 3.562204391e+01 4.480647754e+01 1.82 1.317194503e+01 3.231638864e+01 4.100026923e+01 1.84 1.135468158e+01 2.922884978e+01 3.743137909e+01 1.86 9.698003057e+00 2.634898668e+01 3.409405493e+01 1.88 8.191746311e+00 2.366833577e+01 3.098134697e+01 1.90 6.825472568e+00 2.117893687e+01 2.808400392e+01 1.92 5.588600095e+00 1.887170391e+01 2.539108595e+01 1.94 4.470192113e+00 1.673707909e+01 2.289051690e+01 1.96 3.459474794e+00 1.476518321e+01 2.056893563e+01 1.98 2.546226023e+00 1.294582491e+01 1.841175168e+01 2.00 1.720812166e+00 1.126808894e+01 1.640434788e+01 2.02 9.743429419e-01 9.721390038e+00 1.453382198e+01 2.04 2.989979855e-01 8.297664991e+00 1.279232430e+01 2.06 -3.100441248e-01 6.989558641e+00 1.117318970e+01 2.08 -8.569949502e-01 5.790025177e+00 9.670019930e+00 2.10 -1.351669670e+00 4.692541893e+00 8.277030450e+00 2.12 -1.801001333e+00 3.691228461e+00 6.989119398e+00 2.14 -2.208490911e+00 2.780939010e+00 5.802022335e+00 2.16 -2.561635786e+00 1.956608024e+00 4.711755631e+00 2.18 -2.859804264e+00 1.212422153e+00 3.713655064e+00 2.20 -3.108195320e+00 5.428054142e-01 2.803003106e+00 2.22 -3.312123473e+00 -5.787745121e-02 1.975153940e+00 2.24 -3.477017398e+00 -5.949601901e-01 1.225556043e+00 2.26 -3.609925311e+00 -1.074190385e+00 5.497729206e-01 2.28 -3.716370163e+00 -1.502965974e+00 -5.655128017e-02 2.30 -3.800480378e+00 -1.887214395e+00 -5.979787653e-01 2.32 -3.865640129e+00 -2.232376199e+00 -1.080037823e+00 2.34 -3.914282078e+00 -2.544024800e+00 -1.509752463e+00 2.36 -3.948177729e+00 -2.819160054e+00 -1.895693955e+00 2.38 -3.968962716e+00 -3.053720508e+00 -2.245113036e+00 2.40 -3.978002564e+00 -3.251685532e+00 -2.562393009e+00 2.42 -3.976663353e+00 -3.417022616e+00 -2.842588453e+00 2.44 -3.966178947e+00 -3.553692569e+00 -3.082239567e+00 2.46 -3.947623171e+00 -3.665574394e+00 -3.285155378e+00 2.48 -3.921928162e+00 -3.756244095e+00 -3.455520309e+00 2.50 -3.889901404e+00 -3.828880743e+00 -3.597635082e+00 2.52 -3.851867440e+00 -3.886329959e+00 -3.715403660e+00 2.54 -3.807916816e+00 -3.930332704e+00 -3.811904901e+00 2.56 -3.758462950e+00 -3.961978418e+00 -3.890044193e+00 2.58 -3.703948932e+00 -3.982436833e+00 -3.952320654e+00 2.60 -3.644886145e+00 -3.992937594e+00 -4.000754349e+00 2.62 -3.581868970e+00 -3.994598470e+00 -4.036823435e+00 2.64 -3.515562338e+00 -3.988428486e+00 -4.061622893e+00 2.66 -3.446682700e+00 -3.975329895e+00 -4.076151410e+00 2.68 -3.375964563e+00 -3.956091328e+00 -4.081291254e+00 2.70 -3.304109200e+00 -3.931380874e+00 -4.077869032e+00 2.72 -3.231725304e+00 -3.901749912e+00 -4.066721562e+00 2.74 -3.159263089e+00 -3.867656519e+00 -4.048723882e+00 2.76 -3.087097753e+00 -3.829460195e+00 -4.024758887e+00 2.78 -3.015536771e+00 -3.787416453e+00 -3.995665328e+00 2.80 -2.944715624e+00 -3.741773891e+00 -3.962177404e+00 2.82 -2.874694742e+00 -3.692858911e+00 -3.924872281e+00 2.84 -2.805556802e+00 -3.641014179e+00 -3.884152295e+00 2.86 -2.737307467e+00 -3.586595574e+00 -3.840194175e+00 2.88 -2.669882956e+00 -3.529969979e+00 -3.792963673e+00 2.90 -2.603327793e+00 -3.471509191e+00 -3.742660332e+00 2.92 -2.537743472e+00 -3.411577265e+00 -3.689599006e+00 2.94 -2.473240788e+00 -3.350512703e+00 -3.634080800e+00 2.96 -2.409944820e+00 -3.288606976e+00 -3.576395418e+00 2.98 -2.347997868e+00 -3.226082068e+00 -3.516828026e+00 3.00 -2.287558473e+00 -3.163090377e+00 -3.455669486e+00 3.02 -2.228794838e+00 -3.099755851e+00 -3.393218977e+00 3.04 -2.171873037e+00 -3.036192198e+00 -3.329779834e+00 3.06 -2.116942650e+00 -2.972506289e+00 -3.265659163e+00 3.08 -2.064124143e+00 -2.908796623e+00 -3.201153521e+00 3.10 -2.013500251e+00 -2.845153817e+00 -3.136524559e+00 3.12 -1.965108413e+00 -2.781665464e+00 -3.071979453e+00 3.14 -1.918934395e+00 -2.718424408e+00 -3.007683504e+00 3.16 -1.874906754e+00 -2.655539711e+00 -2.943755439e+00 3.18 -1.832894613e+00 -2.593145790e+00 -2.880250488e+00 3.20 -1.792711011e+00 -2.531385906e+00 -2.817141867e+00 3.22 -1.754146917e+00 -2.470405842e+00 -2.754351996e+00 3.24 -1.717087856e+00 -2.410449626e+00 -2.691935169e+00 3.26 -1.681483934e+00 -2.351781844e+00 -2.629993645e+00 3.28 -1.647323619e+00 -2.294633117e+00 -2.568629048e+00 3.30 -1.614619475e+00 -2.239166241e+00 -2.507932005e+00 3.32 -1.583392910e+00 -2.185439121e+00 -2.447979068e+00 3.34 -1.553658121e+00 -2.133365736e+00 -2.388835684e+00 3.36 -1.525405609e+00 -2.082739122e+00 -2.330559221e+00 3.38 -1.498583985e+00 -2.033558297e+00 -2.273201859e+00 3.40 -1.473077185e+00 -1.985920896e+00 -2.216813802e+00 3.42 -1.448678988e+00 -1.939917355e+00 -2.161447110e+00 3.44 -1.425119319e+00 -1.895624642e+00 -2.107160587e+00 3.46 -1.402276655e+00 -1.853099617e+00 -2.054025804e+00 3.48 -1.380083287e+00 -1.812372281e+00 -2.002134662e+00 3.50 -1.358465327e+00 -1.773440534e+00 -1.951608658e+00 3.52 -1.337338666e+00 -1.736270395e+00 -1.902603484e+00 3.54 -1.316604893e+00 -1.700799637e+00 -1.855297379e+00 3.56 -1.296148765e+00 -1.666942236e+00 -1.809872534e+00 3.58 -1.275873838e+00 -1.634593239e+00 -1.766496484e+00 3.60 -1.255719391e+00 -1.603633956e+00 -1.725303725e+00 3.62 -1.235633000e+00 -1.573937474e+00 -1.686377588e+00 3.64 -1.215569523e+00 -1.545374353e+00 -1.649732055e+00 3.66 -1.195491591e+00 -1.517818916e+00 -1.615293762e+00 3.68 -1.175370085e+00 -1.491156165e+00 -1.582883473e+00 3.70 -1.155184637e+00 -1.465288919e+00 -1.552197370e+00 3.72 -1.134924148e+00 -1.440144354e+00 -1.522924741e+00 3.74 -1.114587154e+00 -1.415675083e+00 -1.494942721e+00 3.76 -1.094181121e+00 -1.391853835e+00 -1.468158749e+00 3.78 -1.073721168e+00 -1.368666923e+00 -1.442487931e+00 3.80 -1.053229208e+00 -1.346107601e+00 -1.417854277e+00 3.82 -1.032733164e+00 -1.324169339e+00 -1.394191272e+00 3.84 -1.012266109e+00 -1.302838821e+00 -1.371442047e+00 3.86 -9.918653004e-01 -1.282088336e+00 -1.349558616e+00 3.88 -9.715710916e-01 -1.261867928e+00 -1.328500681e+00 3.90 -9.514258014e-01 -1.242097455e+00 -1.308234301e+00 3.92 -9.314725087e-01 -1.222658609e+00 -1.288730426e+00 3.94 -9.117537831e-01 -1.203421251e+00 -1.269963355e+00 3.96 -8.923103666e-01 -1.184347242e+00 -1.251909107e+00 3.98 -8.731798101e-01 -1.165430637e+00 -1.234543694e+00 4.00 -8.543950898e-01 -1.146674432e+00 -1.217841358e+00 4.02 -8.359832057e-01 -1.128089334e+00 -1.201772752e+00 4.04 -8.179639407e-01 -1.109692484e+00 -1.186303606e+00 4.06 -8.003497737e-01 -1.091506163e+00 -1.171394763e+00 4.08 -7.831473049e-01 -1.073556423e+00 -1.157002750e+00 4.10 -7.663588333e-01 -1.055871695e+00 -1.143080370e+00 4.12 -7.499832181e-01 -1.038481340e+00 -1.129577288e+00 4.14 -7.340163647e-01 -1.021414143e+00 -1.116440616e+00 4.16 -7.184517500e-01 -1.004696772e+00 -1.103615495e+00 4.18 -7.032809990e-01 -9.883521758e-01 -1.091045676e+00 4.20 -6.884944940e-01 -9.723980026e-01 -1.078674170e+00 4.22 -6.740820969e-01 -9.568453479e-01 -1.066444442e+00 4.24 -6.600339450e-01 -9.416979304e-01 -1.054302248e+00 4.26 -6.463412930e-01 -9.269513491e-01 -1.042197575e+00 4.28 -6.329973201e-01 -9.125923769e-01 -1.030086595e+00 4.30 -6.199979577e-01 -8.985989019e-01 -1.017933071e+00 4.32 -6.073426503e-01 -8.849409244e-01 -1.005707961e+00 4.34 -5.950350710e-01 -8.715818815e-01 -9.933880753e-01 4.36 -5.830830218e-01 -8.584800325e-01 -9.809546707e-01 4.38 -5.714971777e-01 -8.455898679e-01 -9.683920493e-01 4.40 -5.602892979e-01 -8.328635655e-01 -9.556861456e-01 4.42 -5.494704096e-01 -8.202524612e-01 -9.428231171e-01 4.44 -5.390493841e-01 -8.077085514e-01 -9.297879424e-01 4.46 -5.290323511e-01 -7.951860078e-01 -9.165630160e-01 4.48 -5.194224969e-01 -7.826427142e-01 -9.031267714e-01 4.50 -5.102197341e-01 -7.700416773e-01 -8.894523060e-01 4.52 -5.014205250e-01 -7.573516592e-01 -8.755060355e-01 4.54 -4.930177899e-01 -7.445480566e-01 -8.612500616e-01 4.56 -4.850009201e-01 -7.316143169e-01 -8.466760956e-01 4.58 -4.773557093e-01 -7.185432188e-01 -8.318008223e-01 4.60 -4.700644818e-01 -7.053374873e-01 -8.166495572e-01 4.62 -4.631060020e-01 -6.920096781e-01 -8.012551573e-01 4.64 -4.564556738e-01 -6.785812797e-01 -7.856571089e-01 4.66 -4.500848470e-01 -6.650815858e-01 -7.699006255e-01 4.68 -4.439608740e-01 -6.515465701e-01 -7.540357349e-01 4.70 -4.380484358e-01 -6.380177551e-01 -7.381163792e-01 4.72 -4.323113163e-01 -6.245411077e-01 -7.221995024e-01 4.74 -4.267142803e-01 -6.111659146e-01 -7.063441202e-01 4.76 -4.212245400e-01 -5.979436492e-01 -6.906103999e-01 4.78 -4.158130029e-01 -5.849268617e-01 -6.750586867e-01 4.80 -4.104544895e-01 -5.721679904e-01 -6.597485479e-01 4.82 -4.051280912e-01 -5.597181959e-01 -6.447377504e-01 4.84 -3.998177849e-01 -5.476261458e-01 -6.300812351e-01 4.86 -3.945121148e-01 -5.359366887e-01 -6.158300196e-01 4.88 -3.892052774e-01 -5.246895462e-01 -6.020300636e-01 4.90 -3.838969787e-01 -5.139178473e-01 -5.887210796e-01 4.92 -3.785932325e-01 -5.036465558e-01 -5.759352139e-01 4.94 -3.733068947e-01 -4.938911461e-01 -5.636957902e-01 4.96 -3.680567398e-01 -4.846573620e-01 -5.520166609e-01 4.98 -3.628690676e-01 -4.759417629e-01 -5.409025960e-01 5.00 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