# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Kang-K-H-Eun-T-Jun-M-C-Lee-B-J--Si-C # implementation = 2014--Kang-K-H--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 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 4.518929738e+02 nan nan 0.80 4.157696670e+02 nan nan 0.82 3.823610419e+02 nan nan 0.84 3.514658297e+02 3.804140554e+02 nan 0.86 3.228977656e+02 3.518579005e+02 6.174964651e+02 0.88 2.964844604e+02 3.253163512e+02 5.724122400e+02 0.90 2.720663587e+02 3.006488117e+02 5.304302425e+02 0.92 2.494957754e+02 2.777245267e+02 4.913427141e+02 0.94 2.286360068e+02 2.564218984e+02 4.549555675e+02 0.96 2.093605135e+02 2.366278547e+02 4.210875033e+02 0.98 1.915521727e+02 2.182372621e+02 3.895691810e+02 1.00 1.751026011e+02 2.011523862e+02 3.602424448e+02 1.02 1.599115493e+02 1.852823940e+02 3.329595972e+02 1.04 1.458863674e+02 1.705428970e+02 3.075827200e+02 1.06 1.329415361e+02 1.568555272e+02 2.839830412e+02 1.08 1.209982510e+02 1.441475398e+02 2.620403440e+02 1.10 1.099840361e+02 1.323514350e+02 2.416424207e+02 1.12 9.983235600e+01 1.214045891e+02 2.226845692e+02 1.14 9.048219451e+01 1.112488954e+02 2.050691334e+02 1.16 8.187757087e+01 1.018304121e+02 1.887050862e+02 1.18 7.396698257e+01 9.309902302e+01 1.735076531e+02 1.20 6.670278199e+01 8.500811969e+01 1.593979684e+02 1.22 6.004051782e+01 7.751431018e+01 1.463027544e+02 1.24 5.393828985e+01 7.057716105e+01 1.341540099e+02 1.26 4.835617536e+01 6.415897216e+01 1.228886910e+02 1.28 4.325578310e+01 5.822457968e+01 1.124483717e+02 1.30 3.859997712e+01 5.274117892e+01 1.027788719e+02 1.32 3.435279012e+01 4.767815636e+01 9.382985276e+01 1.34 3.047951812e+01 4.300692104e+01 8.555438360e+01 1.36 2.694696136e+01 3.870072926e+01 7.790849831e+01 1.38 2.372375483e+01 3.473450172e+01 7.085076258e+01 1.40 2.078072071e+01 3.108463840e+01 6.434187937e+01 1.42 1.809117599e+01 2.772884183e+01 5.834435874e+01 1.44 1.563114085e+01 2.464596256e+01 5.282227329e+01 1.46 1.337941475e+01 2.181588002e+01 4.774111215e+01 1.48 1.131751145e+01 1.921942897e+01 4.306773534e+01 1.50 9.429467449e+00 1.683837500e+01 3.877041891e+01 1.52 7.701554678e+00 1.465543503e+01 3.481897039e+01 1.54 6.121937409e+00 1.265433190e+01 3.118488670e+01 1.56 4.680313250e+00 1.081986635e+01 2.784152263e+01 1.58 3.367572238e+00 9.137988269e+00 2.476423900e+01 1.60 2.175498131e+00 7.595849702e+00 2.193050458e+01 1.62 1.096525244e+00 6.181826792e+00 1.931993453e+01 1.64 1.235545325e-01 4.885503186e+00 1.691425784e+01 1.66 -7.501746093e-01 3.697614417e+00 1.469721669e+01 1.68 -1.531164959e+00 2.609958018e+00 1.265440839e+01 1.70 -2.225704641e+00 1.615278414e+00 1.077308663e+01 1.72 -2.839883212e+00 7.071375278e-01 9.041940417e+00 1.74 -3.379589981e+00 -1.202179190e-01 7.450869150e+00 1.76 -3.850502180e+00 -8.719828870e-01 5.990768753e+00 1.78 -4.258068781e+00 -1.552907263e+00 4.653340180e+00 1.80 -4.607493991e+00 -2.167391531e+00 3.430926898e+00 1.82 -4.903723003e+00 -2.719563186e+00 2.316383843e+00 1.84 -5.151431408e+00 -3.213334268e+00 1.302977132e+00 1.86 -5.355018837e+00 -3.652441899e+00 3.843114385e-01 1.88 -5.518606850e+00 -4.040474552e+00 -4.457193390e-01 1.90 -5.646040706e+00 -4.380887114e+00 -1.192962973e+00 1.92 -5.740894496e+00 -4.677007725e+00 -1.863026131e+00 1.94 -5.806479002e+00 -4.932039087e+00 -2.461282167e+00 1.96 -5.845851681e+00 -5.149056431e+00 -2.992872986e+00 1.98 -5.861828195e+00 -5.331003895e+00 -3.462707779e+00 2.00 -5.856994983e+00 -5.480690552e+00 -3.875460615e+00 2.02 -5.833722440e+00 -5.600786950e+00 -4.235568314e+00 2.04 -5.794178366e+00 -5.693822672e+00 -4.547229444e+00 2.06 -5.740341383e+00 -5.762185182e+00 -4.814404923e+00 2.08 -5.674014128e+00 -5.808120036e+00 -5.040820394e+00 2.10 -5.596836045e+00 -5.833732393e+00 -5.229970342e+00 2.12 -5.510295665e+00 -5.840989719e+00 -5.385123798e+00 2.14 -5.415742299e+00 -5.831725501e+00 -5.509331414e+00 2.16 -5.314397098e+00 -5.807643779e+00 -5.605433629e+00 2.18 -5.207363448e+00 -5.770324324e+00 -5.676069689e+00 2.20 -5.095636706e+00 -5.721228272e+00 -5.723687247e+00 2.22 -4.980113270e+00 -5.661704075e+00 -5.750552353e+00 2.24 -4.861599012e+00 -5.592993614e+00 -5.758759598e+00 2.26 -4.740817095e+00 -5.516238374e+00 -5.750242294e+00 2.28 -4.618415198e+00 -5.432485587e+00 -5.726782516e+00 2.30 -4.494972183e+00 -5.342694260e+00 -5.690020937e+00 2.32 -4.371004247e+00 -5.247741044e+00 -5.641466338e+00 2.34 -4.246970568e+00 -5.148425891e+00 -5.582504771e+00 2.36 -4.123278509e+00 -5.045477472e+00 -5.514408303e+00 2.38 -4.000288387e+00 -4.939558340e+00 -5.438343328e+00 2.40 -3.878317851e+00 -4.831269820e+00 -5.355378430e+00 2.42 -3.757645897e+00 -4.721156626e+00 -5.266491793e+00 2.44 -3.638516544e+00 -4.609711199e+00 -5.172578160e+00 2.46 -3.521142203e+00 -4.497377780e+00 -5.074455339e+00 2.48 -3.405706757e+00 -4.384556210e+00 -4.972870289e+00 2.50 -3.292368385e+00 -4.271605485e+00 -4.868504778e+00 2.52 -3.181262135e+00 -4.158847057e+00 -4.761980651e+00 2.54 -3.072502290e+00 -4.046567911e+00 -4.653864713e+00 2.56 -2.966184516e+00 -3.935023412e+00 -4.544673244e+00 2.58 -2.862387834e+00 -3.824439951e+00 -4.434876188e+00 2.60 -2.761176416e+00 -3.715017396e+00 -4.324900997e+00 2.62 -2.662601231e+00 -3.606931351e+00 -4.215136191e+00 2.64 -2.566701536e+00 -3.500335251e+00 -4.105934616e+00 2.66 -2.473506247e+00 -3.395362296e+00 -3.997616434e+00 2.68 -2.383035182e+00 -3.292127234e+00 -3.890471863e+00 2.70 -2.295300197e+00 -3.190728004e+00 -3.784763670e+00 2.72 -2.210306211e+00 -3.091247253e+00 -3.680729430e+00 2.74 -2.128052154e+00 -2.993753734e+00 -3.578583582e+00 2.76 -2.048531809e+00 -2.898303587e+00 -3.478519258e+00 2.78 -1.971734588e+00 -2.804941529e+00 -3.380709924e+00 2.80 -1.897646225e+00 -2.713701933e+00 -3.285310818e+00 2.82 -1.826249407e+00 -2.624609838e+00 -3.192460204e+00 2.84 -1.757524333e+00 -2.537681857e+00 -3.102280432e+00 2.86 -1.691449218e+00 -2.452927032e+00 -3.014878815e+00 2.88 -1.628000734e+00 -2.370347599e+00 -2.930348312e+00 2.90 -1.567154399e+00 -2.289939705e+00 -2.848768027e+00 2.92 -1.508884910e+00 -2.211694056e+00 -2.770203509e+00 2.94 -1.453166422e+00 -2.135596514e+00 -2.694706853e+00 2.96 -1.399972771e+00 -2.061628647e+00 -2.622316599e+00 2.98 -1.349277646e+00 -1.989768226e+00 -2.553057427e+00 3.00 -1.301054695e+00 -1.919989683e+00 -2.486939639e+00 3.02 -1.255277578e+00 -1.852264531e+00 -2.423958440e+00 3.04 -1.211919938e+00 -1.786561743e+00 -2.364093034e+00 3.06 -1.170955308e+00 -1.722848103e+00 -2.307305539e+00 3.08 -1.132356925e+00 -1.661088523e+00 -2.253539772e+00 3.10 -1.096097443e+00 -1.601246329e+00 -2.202719954e+00 3.12 -1.062148536e+00 -1.543283529e+00 -2.154749404e+00 3.14 -1.030480370e+00 -1.487161048e+00 -2.109509330e+00 3.16 -1.001060920e+00 -1.432838946e+00 -2.066857837e+00 3.18 -9.738551185e-01 -1.380276614e+00 -2.026629320e+00 3.20 -9.484825525e-01 -1.329432952e+00 -1.988634407e+00 3.22 -9.167272658e-01 -1.280266529e+00 -1.952660670e+00 3.24 -8.562965979e-01 -1.232735727e+00 -1.918474279e+00 3.26 -7.760154006e-01 -1.186798872e+00 -1.885822823e+00 3.28 -7.481624669e-01 -1.142414347e+00 -1.854439410e+00 3.30 -7.289026774e-01 -1.099540703e+00 -1.824048163e+00 3.32 -7.118616136e-01 -1.058136745e+00 -1.794371080e+00 3.34 -6.970141610e-01 -1.018161617e+00 -1.765136116e+00 3.36 -6.843242877e-01 -9.795748772e-01 -1.736086182e+00 3.38 -6.737416339e-01 -9.423365223e-01 -1.706988577e+00 3.40 -6.651974912e-01 -9.061708703e-01 -1.677644184e+00 3.42 -6.586001999e-01 -8.687741882e-01 -1.647895627e+00 3.44 -6.538300847e-01 -8.236101125e-01 -1.617633503e+00 3.46 -6.507341834e-01 -7.662498515e-01 -1.586799889e+00 3.48 -6.491212126e-01 -7.346372881e-01 -1.555388520e+00 3.50 -6.483772374e-01 -7.062234922e-01 -1.523441378e+00 3.52 -6.288306239e-01 -6.788409311e-01 -1.491041936e+00 3.54 -4.973540426e-01 -6.524564865e-01 -1.458305704e+00 3.56 -3.311443415e-01 -6.270378078e-01 -1.425369155e+00 3.58 -1.310466389e-01 -6.025533167e-01 -1.392378255e+00 3.60 -1.250635206e-01 -5.789722112e-01 -1.359477829e+00 3.62 -1.193438482e-01 -5.562644658e-01 -1.326802752e+00 3.64 -1.138766550e-01 -5.344008302e-01 -1.294471586e+00 3.66 -1.086513878e-01 -5.133528265e-01 -1.262582903e+00 3.68 -1.036578947e-01 -4.930927441e-01 -1.231214103e+00 3.70 -9.888641247e-02 -4.735936335e-01 -1.200422282e+00 3.72 -9.432755431e-02 -4.548292988e-01 -1.170246528e+00 3.74 -8.997229793e-02 -4.367742888e-01 -1.140711012e+00 3.76 -8.581197364e-02 -4.194038875e-01 -1.111828284e+00 3.78 -8.183825265e-02 -4.026941033e-01 -1.083602353e+00 3.80 -7.804313573e-02 -3.866216573e-01 -1.056031296e+00 3.82 -7.441894192e-02 -3.711639718e-01 -1.029109286e+00 3.84 -7.095829768e-02 -3.562991571e-01 -1.002828047e+00 3.86 -6.765412608e-02 -3.420059990e-01 -9.771778395e-01 3.88 -6.449963644e-02 -3.282639443e-01 -9.521480720e-01 3.90 -6.148831406e-02 -3.150530880e-01 -9.277276732e-01 3.92 -5.845929421e-02 -3.019995650e-01 -9.028187565e-01 3.94 -5.352526431e-02 -2.846211621e-01 -8.630906768e-01 3.96 -4.227855775e-02 -2.486954997e-01 -7.613839311e-01 3.98 -2.088963384e-02 -1.569640891e-01 -4.796984118e-01 4.00 -7.145043592e-24 -1.577205132e-22 -1.716851434e-22 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 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