# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2010--Kim-H-K-Jung-W-S-Lee-B-J--Nb-C # implementation = 2010--Kim-H-K--Nb-C--LAMMPS--ipr1 # composition = C3Nb # 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 7.061029857e+02 nan nan 0.88 6.510503940e+02 nan nan 0.90 6.000307976e+02 nan nan 0.92 5.527635836e+02 5.198675550e+02 nan 0.94 5.089863912e+02 4.824214778e+02 nan 0.96 4.684540500e+02 4.474876943e+02 7.308834600e+02 0.98 4.309375682e+02 4.149066335e+02 6.795585217e+02 1.00 3.962231692e+02 3.845282525e+02 6.316196603e+02 1.02 3.641113751e+02 3.562115116e+02 5.868536475e+02 1.04 3.344161367e+02 3.298238757e+02 5.450600409e+02 1.06 3.069640066e+02 3.052408411e+02 5.060504609e+02 1.08 2.815933567e+02 2.823454854e+02 4.696479057e+02 1.10 2.581536357e+02 2.610280409e+02 4.356861031e+02 1.12 2.365046670e+02 2.411854890e+02 4.040088966e+02 1.14 2.165159858e+02 2.227211755e+02 3.744696652e+02 1.16 1.980662117e+02 2.055444456e+02 3.469307735e+02 1.18 1.810424577e+02 1.895702981e+02 3.212630520e+02 1.20 1.653397732e+02 1.747190565e+02 2.973453047e+02 1.22 1.508606189e+02 1.609160585e+02 2.750638446e+02 1.24 1.375143730e+02 1.480913612e+02 2.543120527e+02 1.26 1.252168674e+02 1.361794618e+02 2.349899626e+02 1.28 1.138899512e+02 1.251190334e+02 2.170038669e+02 1.30 1.034610820e+02 1.148526756e+02 2.002659457e+02 1.32 9.386294182e+01 1.053266775e+02 1.846939151e+02 1.34 8.503307775e+01 9.649079470e+01 1.702106958e+02 1.36 7.691356509e+01 8.829803810e+01 1.567440998e+02 1.38 6.945069239e+01 8.070447454e+01 1.442265350e+02 1.40 6.259466672e+01 7.366903870e+01 1.325947259e+02 1.42 5.629933844e+01 6.715335563e+01 1.217894505e+02 1.44 5.052194398e+01 6.112157333e+01 1.117552925e+02 1.46 4.522286585e+01 5.554020505e+01 1.024404071e+02 1.48 4.036540874e+01 5.037798066e+01 9.379630060e+01 1.50 3.591559078e+01 4.560570672e+01 8.577762281e+01 1.52 3.184194897e+01 4.119613481e+01 7.834197142e+01 1.54 2.811535799e+01 3.712383758e+01 7.144970803e+01 1.56 2.470886153e+01 3.336509229e+01 6.506378480e+01 1.58 2.159751525e+01 2.989777128e+01 5.914958160e+01 1.60 1.875824077e+01 2.670123911e+01 5.367475266e+01 1.62 1.616968986e+01 2.375625589e+01 4.860908255e+01 1.64 1.381211823e+01 2.104488665e+01 4.392435080e+01 1.66 1.166726823e+01 1.855041615e+01 3.959420464e+01 1.68 9.718259927e+00 1.625726908e+01 3.559403957e+01 1.70 7.949489893e+00 1.415093520e+01 3.190088720e+01 1.72 6.346537321e+00 1.221789916e+01 2.849330997e+01 1.74 4.896076847e+00 1.044557472e+01 2.535130233e+01 1.76 3.585797677e+00 8.822243220e+00 2.245619812e+01 1.78 2.404328562e+00 7.336995852e+00 1.979058365e+01 1.80 1.341168226e+00 5.979679704e+00 1.733821621e+01 1.82 3.866208459e-01 4.740847234e+00 1.508394775e+01 1.84 -4.682637470e-01 3.611708999e+00 1.301365328e+01 1.86 -1.231745501e+00 2.584089459e+00 1.111416387e+01 1.88 -1.911445514e+00 1.650385639e+00 9.373203855e+00 1.90 -2.514393620e+00 8.035284968e-01 7.779332063e+00 1.92 -3.047072487e+00 3.694681173e-02 6.321886760e+00 1.94 -3.515458452e+00 -6.554665477e-01 4.990934157e+00 1.96 -3.925059338e+00 -1.279386137e+00 3.777220211e+00 1.98 -4.280949479e+00 -1.840083366e+00 2.672125527e+00 2.00 -4.587802139e+00 -2.342453973e+00 1.667623181e+00 2.02 -4.849919526e+00 -2.791043676e+00 7.562392719e-01 2.04 -5.071260573e+00 -3.190072113e+00 -6.898396614e-02 2.06 -5.255466644e+00 -3.543455176e+00 -8.145226460e-01 2.08 -5.405885321e+00 -3.854825853e+00 -1.486403463e+00 2.10 -5.525592409e+00 -4.127553665e+00 -2.090233822e+00 2.12 -5.617412294e+00 -4.364762795e+00 -2.631229990e+00 2.14 -5.683936762e+00 -4.569348988e+00 -3.114243396e+00 2.16 -5.727542413e+00 -4.743995310e+00 -3.543785212e+00 2.18 -5.750406746e+00 -4.891186835e+00 -3.924049300e+00 2.20 -5.754523033e+00 -5.013224332e+00 -4.258933654e+00 2.22 -5.741714069e+00 -5.112237017e+00 -4.552060419e+00 2.24 -5.713644863e+00 -5.190194433e+00 -4.806794588e+00 2.26 -5.671834376e+00 -5.248917517e+00 -5.026261456e+00 2.28 -5.617666355e+00 -5.290088900e+00 -5.213362914e+00 2.30 -5.552399343e+00 -5.315262505e+00 -5.370792663e+00 2.32 -5.477175923e+00 -5.325872473e+00 -5.501050408e+00 2.34 -5.393031268e+00 -5.323241476e+00 -5.606455116e+00 2.36 -5.300901037e+00 -5.308588448e+00 -5.689157378e+00 2.38 -5.201628692e+00 -5.283035781e+00 -5.751150951e+00 2.40 -5.095972278e+00 -5.247616010e+00 -5.794283523e+00 2.42 -4.984610730e+00 -5.203278042e+00 -5.820266767e+00 2.44 -4.868149756e+00 -5.150892934e+00 -5.830685703e+00 2.46 -4.747127360e+00 -5.091259276e+00 -5.827007453e+00 2.48 -4.622019057e+00 -5.025108184e+00 -5.810589389e+00 2.50 -4.493242859e+00 -4.953107953e+00 -5.782686743e+00 2.52 -4.361164091e+00 -4.875868373e+00 -5.744459706e+00 2.54 -4.226100115e+00 -4.793944750e+00 -5.696980037e+00 2.56 -4.088325063e+00 -4.707841650e+00 -5.641237244e+00 2.58 -3.948074661e+00 -4.618016381e+00 -5.578144328e+00 2.60 -3.805551240e+00 -4.524882248e+00 -5.508543158e+00 2.62 -3.660642075e+00 -4.428811599e+00 -5.433209465e+00 2.64 -3.511124862e+00 -4.330138682e+00 -5.352857511e+00 2.66 -3.359437949e+00 -4.229162337e+00 -5.268144432e+00 2.68 -3.209590993e+00 -4.126148555e+00 -5.179674295e+00 2.70 -3.058184312e+00 -4.021332919e+00 -5.088001872e+00 2.72 -2.905352374e+00 -3.914922963e+00 -4.993636161e+00 2.74 -2.751247547e+00 -3.807100474e+00 -4.897043666e+00 2.76 -2.596050866e+00 -3.698023771e+00 -4.798651454e+00 2.78 -2.439983582e+00 -3.587829958e+00 -4.698850005e+00 2.80 -2.283319210e+00 -3.476637091e+00 -4.597995863e+00 2.82 -2.126395580e+00 -3.364547323e+00 -4.496414109e+00 2.84 -1.969626144e+00 -3.251649217e+00 -4.394400662e+00 2.86 -1.813509580e+00 -3.138019366e+00 -4.292224428e+00 2.88 -1.658636432e+00 -3.023726689e+00 -4.190129291e+00 2.90 -1.505691381e+00 -2.908835259e+00 -4.088335976e+00 2.92 -1.355449628e+00 -2.793407873e+00 -3.987043781e+00 2.94 -1.208766018e+00 -2.677509950e+00 -3.886432185e+00 2.96 -1.066555847e+00 -2.561213789e+00 -3.786662351e+00 2.98 -9.297670117e-01 -2.444603166e+00 -3.687878521e+00 3.00 -7.993440460e-01 -2.327778233e+00 -3.590209311e+00 3.02 -6.761857675e-01 -2.210860616e+00 -3.493768928e+00 3.04 -5.610994257e-01 -2.093998586e+00 -3.398658283e+00 3.06 -4.547552647e-01 -1.977372085e+00 -3.304966044e+00 3.08 -3.576460086e-01 -1.861197321e+00 -3.212769602e+00 3.10 -2.700557602e-01 -1.745730585e+00 -3.122135980e+00 3.12 -1.920420828e-01 -1.631270862e+00 -3.033122664e+00 3.14 -1.234336525e-01 -1.518160763e+00 -2.945778391e+00 3.16 -6.384405126e-02 -1.406785294e+00 -2.860143867e+00 3.18 -1.270031219e-02 -1.297568010e+00 -2.776252443e+00 3.20 3.071690908e-02 -1.190964203e+00 -2.693028905e+00 3.22 6.722589896e-02 -1.087450948e+00 -2.593335701e+00 3.24 9.769410193e-02 -9.875140667e-01 -2.447060854e+00 3.26 1.229907491e-01 -8.916324034e-01 -2.335397557e+00 3.28 1.439458910e-01 -8.002601049e-01 -2.264062803e+00 3.30 1.613186370e-01 -7.138079560e-01 -2.194481702e+00 3.32 1.757760126e-01 -6.326250639e-01 -2.126649958e+00 3.34 1.878824779e-01 -5.569823303e-01 -2.060560068e+00 3.36 1.980989882e-01 -4.870591383e-01 -1.996201642e+00 3.38 2.067896386e-01 -4.229344858e-01 -1.933561695e+00 3.40 2.142335010e-01 -3.645834440e-01 -1.872624918e+00 3.42 2.206392038e-01 -3.118793346e-01 -1.813373933e+00 3.44 2.261600949e-01 -2.646014840e-01 -1.755789520e+00 3.46 2.309083350e-01 -2.224478825e-01 -1.699850835e+00 3.48 2.349668798e-01 -1.850516439e-01 -1.645535600e+00 3.50 2.383989048e-01 -1.519998591e-01 -1.592820288e+00 3.52 2.412546951e-01 -1.228533173e-01 -1.541680290e+00 3.54 2.435763449e-01 -9.716560866e-02 -1.492090062e+00 3.56 2.454007493e-01 -7.450032172e-02 -1.444023268e+00 3.58 2.467613873e-01 -5.444535085e-02 -1.397452911e+00 3.60 2.476893229e-01 -3.662369548e-02 -1.352351442e+00 3.62 2.482137392e-01 -2.070051409e-02 -1.308690874e+00 3.64 2.483622204e-01 -6.386547722e-03 -1.266442873e+00 3.66 2.481609050e-01 6.561681034e-03 -1.225578854e+00 3.68 2.476332874e-01 1.834428016e-02 -1.186070052e+00 3.70 2.463205429e-01 2.912228398e-02 -1.147887602e+00 3.72 2.413227997e-01 3.902308376e-02 -1.111002599e+00 3.74 2.296632763e-01 4.814630398e-02 -1.075386159e+00 3.76 2.218421457e-01 5.656955518e-02 -1.041009472e+00 3.78 2.211438776e-01 6.435365001e-02 -1.007843844e+00 3.80 2.201863971e-01 7.154703411e-02 -9.758607443e-01 3.82 2.189894460e-01 7.818933377e-02 -9.450318360e-01 3.84 2.175717168e-01 8.431404230e-02 -9.153290088e-01 3.86 2.159508981e-01 8.995044745e-02 -8.867244054e-01 3.88 2.141437194e-01 9.512494367e-02 -8.591904426e-01 3.90 2.121659933e-01 9.986186208e-02 -8.326998295e-01 3.92 2.100326574e-01 1.041122543e-01 -8.072255809e-01 3.94 2.077578132e-01 1.072953328e-01 -7.827410273e-01 3.96 2.053547649e-01 1.084828357e-01 -7.592198207e-01 3.98 2.028360557e-01 1.087175879e-01 -7.366359378e-01 4.00 2.002135033e-01 1.117444465e-01 -7.149636781e-01 4.02 1.974982340e-01 1.146033617e-01 -6.941776603e-01 4.04 1.944117323e-01 1.171485881e-01 -6.742528136e-01 4.06 1.835707966e-01 1.193972839e-01 -6.551643670e-01 4.08 1.424439803e-01 1.213658613e-01 -6.368878341e-01 4.10 5.839345142e-02 1.230700136e-01 -6.193989952e-01 4.12 -4.818853495e-02 1.245247419e-01 -6.026738759e-01 4.14 -4.592331293e-02 1.257443811e-01 -5.866887215e-01 4.16 -4.376216393e-02 1.267426247e-01 -5.714199693e-01 4.18 -4.170046009e-02 1.275325489e-01 -5.568442161e-01 4.20 -3.973376918e-02 1.281266367e-01 -5.429381836e-01 4.22 -3.785784707e-02 1.285368000e-01 -5.296786793e-01 4.24 -3.606863039e-02 1.287744023e-01 -5.170425549e-01 4.26 -3.436222942e-02 1.288502794e-01 -5.050066620e-01 4.28 -3.273492124e-02 1.287747607e-01 -4.935478044e-01 4.30 -3.118314310e-02 1.285576890e-01 -4.826426886e-01 4.32 -2.970348601e-02 1.282084394e-01 -4.722678727e-01 4.34 -2.829268860e-02 1.277359389e-01 -4.623997139e-01 4.36 -2.694763109e-02 1.271486837e-01 -4.530143171e-01 4.38 -2.566532958e-02 1.264547567e-01 -4.440874830e-01 4.40 -2.444293047e-02 1.256618451e-01 -4.355946610e-01 4.42 -2.327770514e-02 1.247772556e-01 -4.275109046e-01 4.44 -2.216704480e-02 1.238079309e-01 -4.198108350e-01 4.46 -2.110845549e-02 1.227604647e-01 -4.124686129e-01 4.48 -2.009955333e-02 1.216411159e-01 -4.054579222e-01 4.50 -1.913805992e-02 1.204558233e-01 -3.987519693e-01 4.52 -1.817388074e-02 1.188168881e-01 -3.915892688e-01 4.54 -1.662283128e-02 1.117723875e-01 -3.744782519e-01 4.56 -1.312337878e-02 8.758720362e-02 -3.208385142e-01 4.58 -6.489866192e-03 3.895670928e-02 -1.866018918e-01 4.60 -2.933032038e-24 -7.455204067e-23 -1.130367373e-22 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00