# 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 = CSi3 # 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 2.781207127e+03 nan nan 0.66 2.496760287e+03 nan nan 0.68 2.245513036e+03 nan nan 0.70 2.020264671e+03 2.756865928e+03 nan 0.72 1.820958831e+03 2.495628661e+03 2.760356754e+03 0.74 1.645473101e+03 2.263383037e+03 2.508785005e+03 0.76 1.489018824e+03 2.055754402e+03 2.283239338e+03 0.78 1.349008045e+03 1.871171282e+03 2.078454389e+03 0.80 1.224587335e+03 1.704173871e+03 1.892438638e+03 0.82 1.113821864e+03 1.551999728e+03 1.726705232e+03 0.84 1.013641032e+03 1.414824894e+03 1.579086192e+03 0.86 9.237268496e+02 1.293758571e+03 1.445892264e+03 0.88 8.429087578e+02 1.186542949e+03 1.324128670e+03 0.90 7.679623736e+02 1.088761429e+03 1.213311103e+03 0.92 6.986340486e+02 9.982829663e+02 1.111670783e+03 0.94 6.360701754e+02 9.146046748e+02 1.019713875e+03 0.96 5.811452455e+02 8.379676372e+02 9.369009849e+02 0.98 5.320167442e+02 7.677294878e+02 8.628558087e+02 1.00 4.860346925e+02 7.045578770e+02 7.965667821e+02 1.02 4.428275991e+02 6.479655550e+02 7.351913877e+02 1.04 4.032809800e+02 5.977878220e+02 6.769971810e+02 1.06 3.679902738e+02 5.523448258e+02 6.222975544e+02 1.08 3.367686599e+02 5.095153783e+02 5.718189603e+02 1.10 3.089593546e+02 4.689511642e+02 5.262514739e+02 1.12 2.837517784e+02 4.312915470e+02 4.857706715e+02 1.14 2.610128478e+02 3.971460378e+02 4.492974472e+02 1.16 2.399771223e+02 3.665731335e+02 4.159738918e+02 1.18 2.201714390e+02 3.384649829e+02 3.856354512e+02 1.20 2.017489830e+02 3.120175942e+02 3.578994292e+02 1.22 1.846532949e+02 2.870472647e+02 3.320523950e+02 1.24 1.688438726e+02 2.636683521e+02 3.074821324e+02 1.26 1.543446004e+02 2.419689984e+02 2.843952323e+02 1.28 1.410349551e+02 2.220297742e+02 2.629865628e+02 1.30 1.287882752e+02 2.038613970e+02 2.431848342e+02 1.32 1.176771872e+02 1.875269292e+02 2.250940546e+02 1.34 1.075871590e+02 1.729549985e+02 2.084716375e+02 1.36 9.813282264e+01 1.599511036e+02 1.925754763e+02 1.38 8.922997067e+01 1.479594077e+02 1.772180605e+02 1.40 8.097699126e+01 1.367035675e+02 1.625297868e+02 1.42 7.349067357e+01 1.258945107e+02 1.486462046e+02 1.44 6.683436406e+01 1.153848228e+02 1.357295629e+02 1.46 6.054651682e+01 1.053866803e+02 1.239997624e+02 1.48 5.447858165e+01 9.611297803e+01 1.137367083e+02 1.50 4.865430059e+01 8.764904937e+01 1.049490131e+02 1.52 4.308437484e+01 8.006733641e+01 9.726680185e+01 1.54 3.793022580e+01 7.353136466e+01 9.022957088e+01 1.56 3.343928853e+01 6.791746851e+01 8.356336441e+01 1.58 2.989014928e+01 6.272193716e+01 7.690145257e+01 1.60 2.706815319e+01 5.788995923e+01 7.031758728e+01 1.62 2.446709800e+01 5.339673068e+01 6.392492081e+01 1.64 2.206668336e+01 4.921914411e+01 5.783865461e+01 1.66 1.985258959e+01 4.519593980e+01 5.219342918e+01 1.68 1.781148606e+01 4.118473449e+01 4.715915456e+01 1.70 1.593096381e+01 3.724971171e+01 4.291181871e+01 1.72 1.419947280e+01 3.345392868e+01 3.944103787e+01 1.74 1.260626334e+01 2.986094515e+01 3.626582732e+01 1.76 1.114133148e+01 2.654386942e+01 3.330793091e+01 1.78 9.795368197e+00 2.359199189e+01 3.055330923e+01 1.80 8.559711910e+00 2.109613969e+01 2.798881211e+01 1.82 7.426304289e+00 1.907939162e+01 2.560212238e+01 1.84 6.387649036e+00 1.727403469e+01 2.338170326e+01 1.86 5.436773456e+00 1.559944493e+01 2.131674908e+01 1.88 4.567192643e+00 1.404695849e+01 1.939713914e+01 1.90 3.772876091e+00 1.260846521e+01 1.761007944e+01 1.92 3.048216573e+00 1.126924396e+01 1.587880954e+01 1.94 2.388001125e+00 1.000670836e+01 1.418667270e+01 1.96 1.787384008e+00 8.818026815e+00 1.255030334e+01 1.98 1.237455607e+00 7.700759441e+00 1.098615751e+01 2.00 7.203272986e-01 6.651881460e+00 9.511014676e+00 2.02 2.377385669e-01 5.667845395e+00 8.143105037e+00 2.04 -2.075615262e-01 4.744725054e+00 6.902552775e+00 2.06 -6.138345614e-01 3.878461358e+00 5.809379199e+00 2.08 -9.803094010e-01 3.065230469e+00 4.878134656e+00 2.10 -1.307056080e+00 2.301946973e+00 4.105001684e+00 2.12 -1.594786277e+00 1.586889469e+00 3.411519654e+00 2.14 -1.844598253e+00 9.203790083e-01 2.772546570e+00 2.16 -2.057699183e+00 3.053402987e-01 2.184468175e+00 2.18 -2.235162465e+00 -2.525581700e-01 1.643894627e+00 2.20 -2.378112403e+00 -7.455849796e-01 1.147646961e+00 2.22 -2.481536488e+00 -1.168371150e+00 6.832470555e-01 2.24 -2.532331584e+00 -1.515840814e+00 2.423492026e-01 2.26 -2.522430628e+00 -1.789192008e+00 -1.722457426e-01 2.28 -2.452487057e+00 -2.025671922e+00 -5.583035444e-01 2.30 -2.334124710e+00 -2.233929118e+00 -9.142137436e-01 2.32 -2.188712323e+00 -2.414568125e+00 -1.239002764e+00 2.34 -2.035069291e+00 -2.572980596e+00 -1.532302107e+00 2.36 -1.880780691e+00 -2.710913121e+00 -1.794272267e+00 2.38 -1.750133553e+00 -2.823414813e+00 -2.025485953e+00 2.40 -1.665068275e+00 -2.908018470e+00 -2.226779572e+00 2.42 -1.637400259e+00 -2.965532396e+00 -2.399090875e+00 2.44 -1.629804828e+00 -3.000553475e+00 -2.543314902e+00 2.46 -1.620125365e+00 -3.021415444e+00 -2.660231055e+00 2.48 -1.608552484e+00 -3.039003868e+00 -2.750580987e+00 2.50 -1.595264004e+00 -3.063578727e+00 -2.815402357e+00 2.52 -1.580425719e+00 -3.099029032e+00 -2.856717186e+00 2.54 -1.564192130e+00 -3.136374083e+00 -2.878546525e+00 2.56 -1.546707134e+00 -3.153613366e+00 -2.887801450e+00 2.58 -1.528104669e+00 -3.142607794e+00 -2.893845159e+00 2.60 -1.508509328e+00 -3.121586240e+00 -2.905382365e+00 2.62 -1.488036928e+00 -3.094291041e+00 -2.918271487e+00 2.64 -1.466795056e+00 -3.064116960e+00 -2.925211516e+00 2.66 -1.444883575e+00 -3.031355355e+00 -2.926688888e+00 2.68 -1.422395108e+00 -2.996277507e+00 -2.923158433e+00 2.70 -1.385900666e+00 -2.935164293e+00 -2.903319441e+00 2.72 -1.322866012e+00 -2.824654692e+00 -2.852250685e+00 2.74 -1.235182817e+00 -2.666109869e+00 -2.764375332e+00 2.76 -1.125461428e+00 -2.461999692e+00 -2.634101042e+00 2.78 -9.971706455e-01 -2.216363879e+00 -2.456792674e+00 2.80 -8.547647097e-01 -1.935266540e+00 -2.229799334e+00 2.82 -7.037602003e-01 -1.627214285e+00 -1.953602495e+00 2.84 -5.507158536e-01 -1.303512285e+00 -1.633200314e+00 2.86 -4.030593233e-01 -9.785231770e-01 -1.279849040e+00 2.88 -2.687054464e-01 -6.697374362e-01 -9.131156294e-01 2.90 -1.554344817e-01 -3.973944946e-01 -5.625821673e-01 2.92 -7.005893723e-02 -1.830704219e-01 -2.672241310e-01 2.94 -1.750145968e-02 -4.642224911e-02 -6.914362817e-02 2.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 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