# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2010--Kim-H-K-Jung-W-S-Lee-B-J--Fe-Nb-C # implementation = 2010--Kim-H-K--Fe-Nb-C--LAMMPS--ipr1 # composition = CFe3 # 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 4.735057941e+02 nan nan 0.88 4.346944861e+02 nan nan 0.90 3.988587295e+02 nan nan 0.92 3.657798125e+02 5.045753853e+02 nan 0.94 3.352547220e+02 4.659381487e+02 nan 0.96 3.070950098e+02 4.300973873e+02 5.169990603e+02 0.98 2.811257451e+02 3.968570338e+02 4.781340789e+02 1.00 2.571845471e+02 3.660345456e+02 4.420253539e+02 1.02 2.351206886e+02 3.374599712e+02 4.084844530e+02 1.04 2.147942681e+02 3.109750822e+02 3.773354700e+02 1.06 1.960754407e+02 2.864325670e+02 3.484142116e+02 1.08 1.788437071e+02 2.636952792e+02 3.215674358e+02 1.10 1.629872537e+02 2.426355406e+02 2.966521389e+02 1.12 1.484023395e+02 2.231344908e+02 2.735348879e+02 1.14 1.349927280e+02 2.050814838e+02 2.520911953e+02 1.16 1.226691588e+02 1.883735250e+02 2.322049347e+02 1.18 1.113488568e+02 1.729147486e+02 2.137677926e+02 1.20 1.009550760e+02 1.586159300e+02 1.966787563e+02 1.22 9.141667457e+01 1.453940323e+02 1.808436341e+02 1.24 8.266772079e+01 1.331717842e+02 1.661746065e+02 1.26 7.464712502e+01 1.218772862e+02 1.525898066e+02 1.28 6.729829816e+01 1.114436442e+02 1.400129267e+02 1.30 6.056883306e+01 1.018086282e+02 1.283728514e+02 1.32 5.441020829e+01 9.291435371e+01 1.176033133e+02 1.34 4.877751214e+01 8.470698555e+01 1.076425718e+02 1.36 4.362918561e+01 7.713646097e+01 9.843311199e+01 1.38 3.892678326e+01 7.015623207e+01 8.992136396e+01 1.40 3.463475028e+01 6.372302539e+01 8.205743947e+01 1.42 3.072021513e+01 5.779661785e+01 7.479488627e+01 1.44 2.715279637e+01 5.233962771e+01 6.809045822e+01 1.46 2.390442283e+01 4.731731972e+01 6.190390049e+01 1.48 2.094916634e+01 4.269742334e+01 5.619774876e+01 1.50 1.826308585e+01 3.844996320e+01 5.093714161e+01 1.52 1.582408262e+01 3.454710106e+01 4.608964508e+01 1.54 1.361176529e+01 3.096298829e+01 4.162508894e+01 1.56 1.160732455e+01 2.767362844e+01 3.751541354e+01 1.58 9.793416477e+00 2.465674893e+01 3.373452685e+01 1.60 8.154054075e+00 2.189168154e+01 3.025817091e+01 1.62 6.674506570e+00 1.935925082e+01 2.706379709e+01 1.64 5.341205690e+00 1.704167019e+01 2.413044960e+01 1.66 4.141658720e+00 1.492244498e+01 2.143865675e+01 1.68 3.064367662e+00 1.298628204e+01 1.897032940e+01 1.70 2.098754235e+00 1.121900556e+01 1.670866616e+01 1.72 1.235090239e+00 9.607478504e+00 1.463806496e+01 1.74 4.644329190e-01 8.139529493e+00 1.274404044e+01 1.76 -2.214349487e-01 6.803884610e+00 1.101314694e+01 1.78 -8.300606756e-01 5.590103896e+00 9.432906574e+00 1.80 -1.368373174e+00 4.488522178e+00 7.991742217e+00 1.82 -1.842730734e+00 3.490193964e+00 6.678914910e+00 1.84 -2.258965277e+00 2.586842128e+00 5.484465536e+00 1.86 -2.622423333e+00 1.770810125e+00 4.399160411e+00 1.88 -2.938004008e+00 1.035017513e+00 3.414440557e+00 1.90 -3.210194093e+00 3.729185396e-01 2.522374407e+00 1.92 -3.443100582e+00 -2.215363735e-01 1.715613728e+00 1.94 -3.640480728e+00 -7.539364956e-01 9.873525295e-01 1.96 -3.805769847e+00 -1.229444129e+00 3.312887792e-01 1.98 -3.942107018e+00 -1.652825635e+00 -2.584112683e-01 2.00 -4.052358824e+00 -2.028480276e+00 -7.871463053e-01 2.02 -4.139141296e+00 -2.360467036e+00 -1.259910925e+00 2.04 -4.204840166e+00 -2.652529554e+00 -1.681324451e+00 2.06 -4.251629570e+00 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-3.441995706e+00 -3.926480907e+00 -4.073262059e+00 2.44 -3.358467606e+00 -3.880194672e+00 -4.045959745e+00 2.46 -3.273997213e+00 -3.829373104e+00 -4.012236787e+00 2.48 -3.188811180e+00 -3.774560549e+00 -3.972838919e+00 2.50 -3.103100446e+00 -3.716249804e+00 -3.928447791e+00 2.52 -3.017336662e+00 -3.654886159e+00 -3.879685943e+00 2.54 -2.933487194e+00 -3.590871155e+00 -3.827121439e+00 2.56 -2.848569891e+00 -3.524566060e+00 -3.771272174e+00 2.58 -2.762069259e+00 -3.456295121e+00 -3.712609860e+00 2.60 -2.675695492e+00 -3.386348583e+00 -3.651563719e+00 2.62 -2.589681970e+00 -3.314985535e+00 -3.588569567e+00 2.64 -2.505251734e+00 -3.242436575e+00 -3.524356074e+00 2.66 -2.421186249e+00 -3.168906349e+00 -3.458874467e+00 2.68 -2.335819959e+00 -3.094575968e+00 -3.391809216e+00 2.70 -2.250954116e+00 -3.019605341e+00 -3.323980004e+00 2.72 -2.166651433e+00 -2.944135444e+00 -3.255623738e+00 2.74 -2.082979098e+00 -2.868290560e+00 -3.186953710e+00 2.76 -2.000011379e+00 -2.792180668e+00 -3.118161556e+00 2.78 -1.917832063e+00 -2.716052389e+00 -3.049419052e+00 2.80 -1.836536619e+00 -2.640868009e+00 -2.980879784e+00 2.82 -1.756233969e+00 -2.565752043e+00 -2.912680682e+00 2.84 -1.677047701e+00 -2.489259033e+00 -2.844943437e+00 2.86 -1.599116562e+00 -2.412929592e+00 -2.777775813e+00 2.88 -1.522594073e+00 -2.336834077e+00 -2.711272845e+00 2.90 -1.447647109e+00 -2.261045129e+00 -2.645517957e+00 2.92 -1.374453342e+00 -2.185640118e+00 -2.580583982e+00 2.94 -1.303197500e+00 -2.110703448e+00 -2.516534103e+00 2.96 -1.234066482e+00 -2.036328646e+00 -2.453422725e+00 2.98 -1.167243482e+00 -1.962620080e+00 -2.391296269e+00 3.00 -1.102901370e+00 -1.889694171e+00 -2.330193910e+00 3.02 -1.041195710e+00 -1.817679926e+00 -2.270148246e+00 3.04 -9.822578641e-01 -1.746718639e+00 -2.211185922e+00 3.06 -9.261886818e-01 -1.676962612e+00 -2.153328199e+00 3.08 -8.730532868e-01 -1.608572806e+00 -2.096591476e+00 3.10 -8.228774005e-01 -1.541715396e+00 -2.040987766e+00 3.12 -7.756455404e-01 -1.476557285e+00 -1.986525140e+00 3.14 -7.313012737e-01 -1.413260772e+00 -1.933208127e+00 3.16 -6.897495302e-01 -1.351977627e+00 -1.881038079e+00 3.18 -6.508608005e-01 -1.292842978e+00 -1.830013517e+00 3.20 -6.144768867e-01 -1.235969453e+00 -1.780100461e+00 3.22 -5.804177584e-01 -1.181442055e+00 -1.730791692e+00 3.24 -5.484889998e-01 -1.129314226e+00 -1.681098679e+00 3.26 -5.184893267e-01 -1.079605462e+00 -1.633370942e+00 3.28 -4.902176932e-01 -1.032300725e+00 -1.587903301e+00 3.30 -4.634795904e-01 -9.873517261e-01 -1.543544462e+00 3.32 -4.380922508e-01 -9.446799841e-01 -1.500278986e+00 3.34 -4.138885943e-01 -9.041814023e-01 -1.458090527e+00 3.36 -3.907198717e-01 -8.657319882e-01 -1.416961961e+00 3.38 -3.684570707e-01 -8.291942529e-01 -1.376875522e+00 3.40 -3.469912346e-01 -7.944238009e-01 -1.337812907e+00 3.42 -3.262329050e-01 -7.612756467e-01 -1.299755386e+00 3.44 -3.061109258e-01 -7.296098536e-01 -1.262683889e+00 3.46 -2.865708539e-01 -6.992961850e-01 -1.226579093e+00 3.48 -2.675731941e-01 -6.702175643e-01 -1.191421495e+00 3.50 -2.490916375e-01 -6.422722488e-01 -1.157191478e+00 3.52 -2.311114291e-01 -6.153747284e-01 -1.123869374e+00 3.54 -2.136279297e-01 -5.894554422e-01 -1.091435514e+00 3.56 -1.966453821e-01 -5.644594827e-01 -1.059870278e+00 3.58 -1.801758443e-01 -5.403445032e-01 -1.029154134e+00 3.60 -1.642382122e-01 -5.170780768e-01 -9.992676771e-01 3.62 -1.488572359e-01 -4.946347720e-01 -9.701916615e-01 3.64 -1.340624261e-01 -4.729932072e-01 -9.419070281e-01 3.66 -1.198867591e-01 -4.521333286e-01 -9.143949293e-01 3.68 -1.063561266e-01 -4.320341262e-01 -8.876367498e-01 3.70 -9.006554597e-02 -4.126719476e-01 -8.616141248e-01 3.72 -4.938746242e-02 -3.940195090e-01 -8.363089550e-01 3.74 -2.142788678e-01 -3.760456269e-01 -8.117034189e-01 3.76 -1.535824344e-01 -3.587156140e-01 -7.877799832e-01 3.78 -1.423457614e-01 -3.419922186e-01 -7.645214112e-01 3.80 -1.318874188e-01 -3.258369348e-01 -7.419107687e-01 3.82 -1.222018178e-01 -3.102114901e-01 -7.199314292e-01 3.84 -1.132712993e-01 -2.950793243e-01 -6.985670773e-01 3.86 -1.050666691e-01 -2.804069021e-01 -6.778017110e-01 3.88 -9.754855360e-02 -2.661647554e-01 -6.576196438e-01 3.90 -9.066944204e-02 -2.523283728e-01 -6.380055053e-01 3.92 -8.437620320e-02 -2.395542905e-01 -6.189442428e-01 3.94 -7.861280625e-02 -2.337399799e-01 -6.004211219e-01 3.96 -7.332297124e-02 -2.446071096e-01 -5.824217285e-01 3.98 -6.845250746e-02 -2.623138720e-01 -5.649319708e-01 4.00 -6.395116361e-02 -2.508100509e-01 -5.479380827e-01 4.02 -5.977389448e-02 -2.381050162e-01 -5.314266284e-01 4.04 -5.631081954e-02 -2.257651602e-01 -5.153845080e-01 4.06 -6.437388317e-02 -2.138029234e-01 -4.997989638e-01 4.08 -1.147500145e-01 -2.022322563e-01 -4.846575881e-01 4.10 -2.093611965e-01 -1.910681392e-01 -4.699483300e-01 4.12 -2.314976261e-01 -1.803259771e-01 -4.556595015e-01 4.14 -2.259159061e-01 -1.700208795e-01 -4.417797817e-01 4.16 -2.204603597e-01 -1.601668481e-01 -4.282982163e-01 4.18 -2.151284002e-01 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