# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2006--Kim-J-Koo-Y-Lee-B-J--Fe-Pt # implementation = 2006--Kim-J--Fe-Pt--LAMMPS--ipr1 # composition = Fe3Pt # 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 4.970510493e+02 nan nan 0.84 4.658303324e+02 nan nan 0.86 4.363417105e+02 nan nan 0.88 4.085025534e+02 nan nan 0.90 3.822331583e+02 4.720068518e+02 nan 0.92 3.574567390e+02 4.446244757e+02 4.891244777e+02 0.94 3.340994026e+02 4.186315171e+02 4.620186675e+02 0.96 3.120901178e+02 3.939689311e+02 4.362214917e+02 0.98 2.913606727e+02 3.705793181e+02 4.116803155e+02 1.00 2.718456274e+02 3.484069594e+02 3.883438818e+02 1.02 2.534822586e+02 3.273978415e+02 3.661623405e+02 1.04 2.362105002e+02 3.074996711e+02 3.450872682e+02 1.06 2.199728789e+02 2.886618803e+02 3.250716812e+02 1.08 2.047144469e+02 2.708356257e+02 3.060700423e+02 1.10 1.903827113e+02 2.539737790e+02 2.880382613e+02 1.12 1.769275621e+02 2.380309134e+02 2.709336899e+02 1.14 1.643011980e+02 2.229632834e+02 2.547151132e+02 1.16 1.524580515e+02 2.087288014e+02 2.393427359e+02 1.18 1.413547138e+02 1.952870092e+02 2.247781660e+02 1.20 1.309498589e+02 1.825990476e+02 2.109843944e+02 1.22 1.212041683e+02 1.706276222e+02 1.979257728e+02 1.24 1.120802561e+02 1.593369677e+02 1.855679885e+02 1.26 1.035425951e+02 1.486928097e+02 1.738780378e+02 1.28 9.555744349e+01 1.386623255e+02 1.628241976e+02 1.30 8.809277315e+01 1.292141035e+02 1.523759952e+02 1.32 8.111819893e+01 1.203181020e+02 1.425041781e+02 1.34 7.460490972e+01 1.119456072e+02 1.331806814e+02 1.36 6.852560109e+01 1.040691908e+02 1.243785960e+02 1.38 6.285440955e+01 9.666266793e+01 1.160721354e+02 1.40 5.756684865e+01 8.970105445e+01 1.082366026e+02 1.42 5.263974698e+01 8.316052511e+01 1.008483565e+02 1.44 4.805118796e+01 7.701837172e+01 9.388477904e+01 1.46 4.378045164e+01 7.125296183e+01 8.732424122e+01 1.48 3.980795839e+01 6.584369815e+01 8.114607054e+01 1.50 3.611521456e+01 6.077097849e+01 7.533051801e+01 1.52 3.268476007e+01 5.601615659e+01 6.985872578e+01 1.54 2.950011788e+01 5.156150370e+01 6.471269521e+01 1.56 2.654574553e+01 4.739017110e+01 5.987525544e+01 1.58 2.380698837e+01 4.348615353e+01 5.533003248e+01 1.60 2.127003477e+01 3.983425353e+01 5.106141902e+01 1.62 1.892187318e+01 3.642004688e+01 4.705454477e+01 1.64 1.675025087e+01 3.322984895e+01 4.329524758e+01 1.66 1.474363452e+01 3.025068215e+01 3.977004524e+01 1.68 1.289117244e+01 2.747024438e+01 3.646610796e+01 1.70 1.118265855e+01 2.487687849e+01 3.337123164e+01 1.72 9.608497828e+00 2.245954287e+01 3.047381194e+01 1.74 8.159673474e+00 2.020778296e+01 2.776281900e+01 1.76 6.827715475e+00 1.811170384e+01 2.522777302e+01 1.78 5.604670709e+00 1.616194383e+01 2.285872058e+01 1.80 4.483074419e+00 1.434964907e+01 2.064621171e+01 1.82 3.455923082e+00 1.266644909e+01 1.858127773e+01 1.84 2.516648586e+00 1.110443333e+01 1.665540989e+01 1.86 1.659093665e+00 9.656128594e+00 1.486053864e+01 1.88 8.774885717e-01 8.314477458e+00 1.318901381e+01 1.90 1.664289005e-01 7.072817518e+00 1.163358531e+01 1.92 -4.791454513e-01 5.924861554e+00 1.018738474e+01 1.94 -1.063970248e+00 4.864678520e+00 8.843907527e+00 1.96 -1.592475858e+00 3.886675370e+00 7.596995890e+00 1.98 -2.068805192e+00 2.985579669e+00 6.440822358e+00 2.00 -2.496830710e+00 2.156422985e+00 5.369874005e+00 2.02 -2.880170525e+00 1.394525026e+00 4.378937299e+00 2.04 -3.222203630e+00 6.954784970e-01 3.463083569e+00 2.06 -3.526084323e+00 5.513465834e-02 2.617655071e+00 2.08 -3.794755833e+00 -5.304104490e-01 1.838251641e+00 2.10 -4.030963203e+00 -1.064829128e+00 1.120717909e+00 2.12 -4.237265462e+00 -1.551574527e+00 4.611310652e-01 2.14 -4.416047113e+00 -1.993892543e+00 -1.442108485e-01 2.16 -4.569528987e+00 -2.394833148e+00 -6.988001315e-01 2.18 -4.699778476e+00 -2.757261165e+00 -1.205930124e+00 2.20 -4.808719181e+00 -3.083866513e+00 -1.668705428e+00 2.22 -4.898140020e+00 -3.377173941e+00 -2.090051667e+00 2.24 -4.969703795e+00 -3.639552279e+00 -2.472724800e+00 2.26 -5.024955269e+00 -3.873223216e+00 -2.819320012e+00 2.28 -5.065328777e+00 -4.080269644e+00 -3.132280184e+00 2.30 -5.092155375e+00 -4.262643560e+00 -3.413903976e+00 2.32 -5.106669228e+00 -4.422173570e+00 -3.666353523e+00 2.34 -5.110011804e+00 -4.560572003e+00 -3.891661767e+00 2.36 -5.103247435e+00 -4.679441649e+00 -4.091739438e+00 2.38 -5.087359018e+00 -4.780282143e+00 -4.268381695e+00 2.40 -5.063251899e+00 -4.864496018e+00 -4.423274451e+00 2.42 -5.031765566e+00 -4.933394420e+00 -4.558000381e+00 2.44 -4.993675656e+00 -4.988202532e+00 -4.674044632e+00 2.46 -4.949698302e+00 -5.030064698e+00 -4.772800257e+00 2.48 -4.900494204e+00 -5.060049265e+00 -4.855573373e+00 2.50 -4.846672449e+00 -5.079153167e+00 -4.923588054e+00 2.52 -4.788794093e+00 -5.088306253e+00 -4.977990985e+00 2.54 -4.727375507e+00 -5.088375377e+00 -5.019855869e+00 2.56 -4.662891523e+00 -5.080168261e+00 -5.050187617e+00 2.58 -4.595778371e+00 -5.064437139e+00 -5.069926310e+00 2.60 -4.526436427e+00 -5.041882200e+00 -5.079950964e+00 2.62 -4.455232787e+00 -5.013154833e+00 -5.081083094e+00 2.64 -4.382503673e+00 -4.978860650e+00 -5.074090089e+00 2.66 -4.308556679e+00 -4.939553712e+00 -5.059688410e+00 2.68 -4.233672870e+00 -4.895715062e+00 -5.038546615e+00 2.70 -4.158108748e+00 -4.847889873e+00 -5.011288226e+00 2.72 -4.082098080e+00 -4.796570683e+00 -4.978494436e+00 2.74 -4.005853609e+00 -4.742122323e+00 -4.940706672e+00 2.76 -3.929568646e+00 -4.684931128e+00 -4.898429015e+00 2.78 -3.853418561e+00 -4.625354708e+00 -4.852130494e+00 2.80 -3.777562166e+00 -4.563723849e+00 -4.802247243e+00 2.82 -3.702143008e+00 -4.500344293e+00 -4.749184548e+00 2.84 -3.627290574e+00 -4.435498412e+00 -4.693318772e+00 2.86 -3.553121410e+00 -4.369446789e+00 -4.634999178e+00 2.88 -3.479740165e+00 -4.302429689e+00 -4.574549642e+00 2.90 -3.407240563e+00 -4.234668459e+00 -4.512270278e+00 2.92 -3.335706300e+00 -4.166366821e+00 -4.448438960e+00 2.94 -3.265211891e+00 -4.097712107e+00 -4.383312765e+00 2.96 -3.195823443e+00 -4.028876399e+00 -4.317129329e+00 2.98 -3.127599382e+00 -3.960017606e+00 -4.250108123e+00 3.00 -3.060591120e+00 -3.891280474e+00 -4.182451656e+00 3.02 -2.994843679e+00 -3.822797526e+00 -4.114346611e+00 3.04 -2.930396267e+00 -3.754689938e+00 -4.045964908e+00 3.06 -2.867282803e+00 -3.687068367e+00 -3.977358605e+00 3.08 -2.805532410e+00 -3.620033707e+00 -3.907314262e+00 3.10 -2.745169862e+00 -3.553677803e+00 -3.834009938e+00 3.12 -2.686215991e+00 -3.488084102e+00 -3.763953769e+00 3.14 -2.628688065e+00 -3.423328260e+00 -3.696522088e+00 3.16 -2.572600114e+00 -3.359478691e+00 -3.629585704e+00 3.18 -2.517963237e+00 -3.296597067e+00 -3.563238005e+00 3.20 -2.464785856e+00 -3.234738766e+00 -3.497564148e+00 3.22 -2.413073942e+00 -3.173953271e+00 -3.432641667e+00 3.24 -2.362831201e+00 -3.114284509e+00 -3.368541042e+00 3.26 -2.314059210e+00 -3.055771134e+00 -3.305326234e+00 3.28 -2.266757518e+00 -2.998446757e+00 -3.243055180e+00 3.30 -2.220923695e+00 -2.942340105e+00 -3.181780263e+00 3.32 -2.176553324e+00 -2.887475120e+00 -3.121548750e+00 3.34 -2.133639943e+00 -2.833870985e+00 -3.062403198e+00 3.36 -2.092174911e+00 -2.781542073e+00 -3.004381837e+00 3.38 -2.052147212e+00 -2.730497826e+00 -2.947518922e+00 3.40 -2.013543174e+00 -2.680742547e+00 -2.891845068e+00 3.42 -1.976346094e+00 -2.632275119e+00 -2.837387554e+00 3.44 -1.940535779e+00 -2.585088649e+00 -2.784170607e+00 3.46 -1.906087968e+00 -2.539170038e+00 -2.732215662e+00 3.48 -1.872973654e+00 -2.494499519e+00 -2.681541609e+00 3.50 -1.841158286e+00 -2.451050148e+00 -2.632165004e+00 3.52 -1.810614894e+00 -2.408787323e+00 -2.584100274e+00 3.54 -1.783346991e+00 -2.367668345e+00 -2.537359889e+00 3.56 -1.752033411e+00 -2.327642103e+00 -2.491954527e+00 3.58 -1.521963956e+00 -2.288648937e+00 -2.447893200e+00 3.60 -1.234925973e+00 -2.250620768e+00 -2.405183376e+00 3.62 -1.225001959e+00 -2.213481575e+00 -2.363831060e+00 3.64 -1.216308045e+00 -2.177148301e+00 -2.323840871e+00 3.66 -1.208738726e+00 -2.141532233e+00 -2.285216070e+00 3.68 -1.202175547e+00 -2.106540920e+00 -2.247958582e+00 3.70 -1.196487253e+00 -2.072080578e+00 -2.212068969e+00 3.72 -1.191530615e+00 -2.038058948e+00 -2.177546383e+00 3.74 -1.187152140e+00 -2.003184934e+00 -2.144388478e+00 3.76 -1.183190820e+00 -1.941123228e+00 -2.112591278e+00 3.78 -1.179482065e+00 -1.776901116e+00 -2.082149009e+00 3.80 -1.175862890e+00 -1.485000313e+00 -2.053053877e+00 3.82 -1.172178328e+00 -1.373432433e+00 -2.025295797e+00 3.84 -1.168288926e+00 -1.346002191e+00 -1.998862067e+00 3.86 -1.164117727e+00 -1.319230241e+00 -1.973736978e+00 3.88 -1.170856627e+00 -1.293102248e+00 -1.949901363e+00 3.90 -1.153992316e+00 -1.267606121e+00 -1.927332082e+00 3.92 -6.339855016e-01 -1.242732804e+00 -1.906001441e+00 3.94 -2.878565983e-01 -1.218477157e+00 -1.885876546e+00 3.96 -2.810166891e-01 -1.194838888e+00 -1.866918598e+00 3.98 -2.743278993e-01 -1.171823470e+00 -1.849082147e+00 4.00 -2.677873235e-01 -1.149442928e+00 -1.832314308e+00 4.02 -2.613920860e-01 -1.127716361e+00 -1.816553968e+00 4.04 -2.551393426e-01 -1.106670003e+00 -1.801731015e+00 4.06 -2.490262828e-01 -1.086336629e+00 -1.787765628e+00 4.08 -2.430501306e-01 -1.066754092e+00 -1.774567679e+00 4.10 -2.372081460e-01 -1.047962848e+00 -1.762036303e+00 4.12 -2.314976261e-01 -1.030002371e+00 -1.750059705e+00 4.14 -2.259159061e-01 -1.012906586e+00 -1.738515288e+00 4.16 -2.204603597e-01 -9.966985490e-01 -1.727270168e+00 4.18 -2.151284002e-01 -9.813848912e-01 -1.716182159e+00 4.20 -2.099174807e-01 -9.669506483e-01 -1.705101300e+00 4.22 -2.048250945e-01 -9.533552260e-01 -1.693871958e+00 4.24 -1.998487756e-01 -9.405301945e-01 -1.682335534e+00 4.26 -1.949860986e-01 -9.283794368e-01 -1.670333749e+00 4.28 -1.902346790e-01 -9.167818848e-01 -1.657712442e+00 4.30 -1.855921732e-01 -9.055967193e-01 -1.644325749e+00 4.32 -1.805746715e-01 -8.920052642e-01 -1.625623729e+00 4.34 -1.691490011e-01 -8.420713272e-01 -1.545080063e+00 4.36 -1.365260195e-01 -6.732856195e-01 -1.260624132e+00 4.38 -6.871145844e-02 -3.205263230e-01 -6.355641188e-01 4.40 -3.023498516e-23 -1.871815191e-22 -1.640995189e-22 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 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