# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Jiang-C-Morgan-D-Szlufarska-I--Si-C # implementation = 2012--Jiang-C--Si-C--LAMMPS--ipr1 # composition = C3Si # 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 3.193808580e+02 nan nan 0.74 nan nan nan 0.76 2.664942234e+02 nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 1.676544340e+02 2.328806038e+02 nan 0.88 nan 2.141960316e+02 nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 1.106707142e+02 nan 1.698717362e+02 0.98 1.020615424e+02 nan 1.582384651e+02 1.00 9.388291826e+01 1.311675208e+02 1.472319372e+02 1.02 8.642046977e+01 1.217612086e+02 1.369570889e+02 1.04 7.992261057e+01 1.137096578e+02 1.275044950e+02 1.06 7.420765355e+01 1.062509773e+02 1.187418370e+02 1.08 6.943502546e+01 9.930139221e+01 1.107330269e+02 1.10 6.534404883e+01 9.282167203e+01 1.035709397e+02 1.12 6.160753353e+01 8.675897378e+01 9.716131675e+01 1.14 5.816748852e+01 8.098845503e+01 9.110890999e+01 1.16 5.496955784e+01 7.542682622e+01 8.538704510e+01 1.18 5.196576489e+01 7.007547686e+01 8.014371325e+01 1.20 4.907531841e+01 6.497446001e+01 7.541157337e+01 1.22 4.628166176e+01 6.022019837e+01 7.100586144e+01 1.24 4.357204423e+01 5.596810323e+01 6.687362063e+01 1.26 4.093560388e+01 5.233596439e+01 6.291526687e+01 1.28 3.836540667e+01 4.926793049e+01 5.906684577e+01 1.30 3.586323740e+01 4.669073531e+01 5.531387247e+01 1.32 3.344936871e+01 4.439937905e+01 5.165087898e+01 1.34 3.117745001e+01 4.238630361e+01 4.808194981e+01 1.36 2.913455883e+01 4.050130340e+01 4.462724503e+01 1.38 2.734450378e+01 3.869220595e+01 4.133045917e+01 1.40 2.565617670e+01 3.695316922e+01 3.824101004e+01 1.42 2.402505305e+01 3.527869710e+01 3.543477873e+01 1.44 2.254974967e+01 3.366355834e+01 3.321859410e+01 1.46 2.126810687e+01 3.210273863e+01 3.150267723e+01 1.48 2.003997775e+01 3.059139324e+01 2.985607448e+01 1.50 1.882462019e+01 2.912480028e+01 2.823350159e+01 1.52 1.760673262e+01 2.769825346e+01 2.673105653e+01 1.54 1.636945493e+01 2.630609401e+01 2.545933506e+01 1.56 1.509088434e+01 2.494179727e+01 2.431479949e+01 1.58 1.373882827e+01 2.359830600e+01 2.321375826e+01 1.60 1.226615520e+01 2.226769529e+01 2.215215293e+01 1.62 1.062664131e+01 2.094164245e+01 2.112769573e+01 1.64 8.863730588e+00 1.961088048e+01 2.013822842e+01 1.66 7.190214078e+00 1.826414681e+01 1.918170757e+01 1.68 5.662172566e+00 1.688642219e+01 1.825619036e+01 1.70 4.045260889e+00 1.545637692e+01 1.735982091e+01 1.72 2.374314405e+00 1.394921630e+01 1.649081709e+01 1.74 8.693167156e-01 1.238965052e+01 1.564745796e+01 1.76 -1.547569203e-01 1.096995766e+01 1.482743331e+01 1.78 -5.862491338e-01 9.810945513e+00 1.402525104e+01 1.80 -8.129323229e-01 8.676967821e+00 1.323452855e+01 1.82 -1.026998478e+00 7.494267313e+00 1.244781046e+01 1.84 -1.241031651e+00 6.325653627e+00 1.165517694e+01 1.86 -1.462567588e+00 5.291503051e+00 1.084669830e+01 1.88 -1.697025263e+00 4.486773008e+00 1.001219520e+01 1.90 -1.947494667e+00 3.804846265e+00 9.140338346e+00 1.92 -2.214404662e+00 3.101716190e+00 8.217740726e+00 1.94 -2.494971378e+00 2.358103726e+00 7.228706064e+00 1.96 -2.782318672e+00 1.569754176e+00 6.157751209e+00 1.98 -3.064187385e+00 7.394402577e-01 5.000064137e+00 2.00 -3.321269141e+00 -1.167276159e-01 3.783824035e+00 2.02 -3.525561473e+00 -9.606086671e-01 2.590416600e+00 2.04 -3.639379647e+00 -1.725684531e+00 1.512217767e+00 2.06 -3.616375137e+00 -2.334319595e+00 5.317259774e-01 2.08 -3.411003857e+00 -2.742977816e+00 -4.037603813e-01 2.10 -2.998016704e+00 -2.980586575e+00 -1.251065705e+00 2.12 -2.398725000e+00 -3.124098875e+00 -1.952091467e+00 2.14 -1.695588832e+00 -3.229242563e+00 -2.474185034e+00 2.16 -1.007985497e+00 -3.302951771e+00 -2.810928734e+00 2.18 -4.567707802e-01 -3.335058770e+00 -2.998412635e+00 2.20 -1.268430018e-01 -3.344442876e+00 -3.142389537e+00 2.22 -1.182786109e-02 -3.337702393e+00 -3.281893687e+00 2.24 -3.404038707e-05 -3.305094713e+00 -3.409407747e+00 2.26 -1.403216747e-21 -3.234029612e+00 -3.510111187e+00 2.28 0.000000000e+00 -3.110339100e+00 -3.561091790e+00 2.30 0.000000000e+00 -2.919089543e+00 -3.531050592e+00 2.32 0.000000000e+00 -2.650821445e+00 -3.384237928e+00 2.34 0.000000000e+00 -2.304089762e+00 -3.091615204e+00 2.36 0.000000000e+00 -1.891172292e+00 -2.647087144e+00 2.38 0.000000000e+00 -1.438956670e+00 -2.080276114e+00 2.40 0.000000000e+00 -9.865165272e-01 -1.456767864e+00 2.42 0.000000000e+00 -5.812091247e-01 -8.675717831e-01 2.44 0.000000000e+00 -2.699240573e-01 -4.045081486e-01 2.46 0.000000000e+00 -8.253479478e-02 -1.237935159e-01 2.48 0.000000000e+00 -1.060161066e-02 -1.590240376e-02 2.50 0.000000000e+00 -1.295039024e-04 -1.942558535e-04 2.52 0.000000000e+00 -1.210081491e-11 -1.815122237e-11 2.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.82 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