# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2005--Erhart-P-Albe-K--Si-C-I # implementation = 2005--Erhart-P--Si-C-I--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 1.384698632e+03 nan nan 0.66 1.231674807e+03 nan nan 0.68 1.097994273e+03 nan nan 0.70 9.801492059e+02 1.369400848e+03 nan 0.72 8.765923146e+02 1.230372708e+03 1.371301973e+03 0.74 7.853205012e+02 1.108317302e+03 1.238029295e+03 0.76 7.051954096e+02 9.995970530e+02 1.118363288e+03 0.78 6.352747397e+02 9.019436239e+02 1.011082189e+03 0.80 5.732926479e+02 8.143889758e+02 9.150038924e+02 0.82 5.173748985e+02 7.367563315e+02 8.296374774e+02 0.84 4.661069230e+02 6.679756238e+02 7.535293127e+02 0.86 4.193232932e+02 6.068842830e+02 6.844891715e+02 0.88 3.771595614e+02 5.518712628e+02 6.213902160e+02 0.90 3.396481925e+02 5.016274946e+02 5.638235237e+02 0.92 3.063850749e+02 4.559178294e+02 5.119622405e+02 0.94 2.769437049e+02 4.144174908e+02 4.657884506e+02 0.96 2.508987923e+02 3.766163933e+02 4.246102718e+02 0.98 2.273515242e+02 3.419532190e+02 3.878329572e+02 1.00 2.054119714e+02 3.102981265e+02 3.544943563e+02 1.02 1.849072602e+02 2.818730884e+02 3.236990399e+02 1.04 1.659770269e+02 2.565352416e+02 2.955037062e+02 1.06 1.486601510e+02 2.338329124e+02 2.699050801e+02 1.08 1.328528698e+02 2.133045716e+02 2.466972583e+02 1.10 1.185020430e+02 1.948158974e+02 2.252543115e+02 1.12 1.057853655e+02 1.782464007e+02 2.053668777e+02 1.14 9.511292989e+01 1.632544244e+02 1.870615914e+02 1.16 8.625215482e+01 1.491746185e+02 1.703979325e+02 1.18 7.826848126e+01 1.356806651e+02 1.552868429e+02 1.20 7.098567807e+01 1.228041983e+02 1.415647814e+02 1.22 6.434268123e+01 1.106305713e+02 1.292979306e+02 1.24 5.820538765e+01 9.920698898e+01 1.184846093e+02 1.26 5.247140907e+01 8.858201418e+01 1.088382453e+02 1.28 4.713918720e+01 7.888358972e+01 9.992777311e+01 1.30 4.220459513e+01 7.034757452e+01 9.150294942e+01 1.32 3.766100476e+01 6.316423497e+01 8.352745325e+01 1.34 3.350069350e+01 5.703556588e+01 7.594157934e+01 1.36 2.968465078e+01 5.179256984e+01 6.870287118e+01 1.38 2.618774637e+01 4.713887806e+01 6.178922907e+01 1.40 2.302789200e+01 4.286107634e+01 5.523679138e+01 1.42 2.022836684e+01 3.892983946e+01 4.906986211e+01 1.44 1.781240132e+01 3.531811442e+01 4.332904198e+01 1.46 1.573177601e+01 3.200094339e+01 3.812308992e+01 1.48 1.389287861e+01 2.895530052e+01 3.365969963e+01 1.50 1.224876436e+01 2.615994177e+01 3.006053272e+01 1.52 1.074807824e+01 2.359526637e+01 2.713142565e+01 1.54 9.337101926e+00 2.124318929e+01 2.453609024e+01 1.56 7.999817360e+00 1.908702369e+01 2.214666093e+01 1.58 6.703582272e+00 1.711137252e+01 1.994779308e+01 1.60 5.458362244e+00 1.530202867e+01 1.792527822e+01 1.62 4.270899156e+00 1.363268762e+01 1.606594259e+01 1.64 3.140230704e+00 1.207625551e+01 1.435757211e+01 1.66 2.060777862e+00 1.059546509e+01 1.278884287e+01 1.68 1.030061884e+00 9.159508135e+00 1.134925668e+01 1.70 6.330950171e-02 7.785152300e+00 1.002908127e+01 1.72 -7.911035222e-01 6.485963958e+00 8.819294822e+00 1.74 -1.454592421e+00 5.271981569e+00 7.711534600e+00 1.76 -1.823652693e+00 4.151904530e+00 6.698049222e+00 1.78 -2.068359501e+00 3.136670988e+00 5.771654439e+00 1.80 -2.281041703e+00 2.242122307e+00 4.925692107e+00 1.82 -2.464556970e+00 1.484944059e+00 4.153992126e+00 1.84 -2.621535945e+00 8.528120185e-01 3.450837135e+00 1.86 -2.755222013e+00 3.587292078e-01 2.807629686e+00 1.88 -2.872041474e+00 -3.505069214e-02 2.203373657e+00 1.90 -2.973846966e+00 -3.890840567e-01 1.637991632e+00 1.92 -3.062909473e+00 -7.110358138e-01 1.099978811e+00 1.94 -3.142621599e+00 -1.013657016e+00 5.895158780e-01 1.96 -3.217187652e+00 -1.299770828e+00 1.109104037e-01 1.98 -3.288459634e+00 -1.574357314e+00 -3.355620536e-01 2.00 -3.344652268e+00 -1.844990568e+00 -7.543148032e-01 2.02 -3.376115534e+00 -2.121316878e+00 -1.154775424e+00 2.04 -3.373093595e+00 -2.413705962e+00 -1.551127508e+00 2.06 -3.324885024e+00 -2.730104641e+00 -1.960421463e+00 2.08 -3.220160900e+00 -3.069267621e+00 -2.396051918e+00 2.10 -3.048427739e+00 -3.408318577e+00 -2.851651768e+00 2.12 -2.803652949e+00 -3.687841227e+00 -3.278223070e+00 2.14 -2.490250441e+00 -3.817482042e+00 -3.555451044e+00 2.16 -2.130905140e+00 -3.764025794e+00 -3.605319598e+00 2.18 -1.762926013e+00 -3.682963694e+00 -3.611441825e+00 2.20 -1.399782069e+00 -3.604246986e+00 -3.609044534e+00 2.22 -1.052304938e+00 -3.517928705e+00 -3.590520077e+00 2.24 -7.321486279e-01 -3.413276996e+00 -3.546432185e+00 2.26 -4.521695556e-01 -3.291071791e+00 -3.475077669e+00 2.28 -2.270128702e-01 -3.143103256e+00 -3.375158826e+00 2.30 -7.279916713e-02 -2.969000893e+00 -3.245934478e+00 2.32 -3.371678177e-03 -2.771119509e+00 -3.087348553e+00 2.34 0.000000000e+00 -2.552354840e+00 -2.900136614e+00 2.36 0.000000000e+00 -2.316148105e+00 -2.685911846e+00 2.38 0.000000000e+00 -2.066475139e+00 -2.447232601e+00 2.40 0.000000000e+00 -1.807822010e+00 -2.187653647e+00 2.42 0.000000000e+00 -1.545151215e+00 -1.911763180e+00 2.44 0.000000000e+00 -1.283865480e+00 -1.625208277e+00 2.46 0.000000000e+00 -1.029778641e+00 -1.334714909e+00 2.48 0.000000000e+00 -7.891019385e-01 -1.048117882e+00 2.50 0.000000000e+00 -5.684410678e-01 -7.744316678e-01 2.52 0.000000000e+00 -3.747607056e-01 -5.239976286e-01 2.54 0.000000000e+00 -2.151972970e-01 -3.086620747e-01 2.56 0.000000000e+00 -9.651312062e-02 -1.416049346e-01 2.58 0.000000000e+00 -2.400530311e-02 -3.579518306e-02 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 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 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