# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2005--Erhart-P-Albe-K--Si-C-II # implementation = 2005--Erhart-P--Si-C-II--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 2024-11-27 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 1.260456116e+03 nan nan 0.68 1.122988966e+03 nan nan 0.70 1.002702550e+03 nan nan 0.72 8.971880215e+02 1.258173007e+03 nan 0.74 8.039800896e+02 1.133629989e+03 1.265710697e+03 0.76 7.221568271e+02 1.023361753e+03 1.143716447e+03 0.78 6.508729025e+02 9.240206861e+02 1.034540949e+03 0.80 5.878186215e+02 8.342798789e+02 9.371977744e+02 0.82 5.309341010e+02 7.544320388e+02 8.502849016e+02 0.84 4.789563163e+02 6.843119915e+02 7.722186946e+02 0.86 4.309593916e+02 6.222504630e+02 7.012583936e+02 0.88 3.873292355e+02 5.660776953e+02 6.371363597e+02 0.90 3.483400049e+02 5.145123281e+02 5.784576322e+02 0.92 3.140703646e+02 4.675119104e+02 5.251065237e+02 0.94 2.839566124e+02 4.249779996e+02 4.772918209e+02 0.96 2.574032354e+02 3.863478937e+02 4.349135597e+02 0.98 2.336093781e+02 3.513006002e+02 3.975417447e+02 1.00 2.112876597e+02 3.191185445e+02 3.636414174e+02 1.02 1.902248911e+02 2.899082752e+02 3.321860226e+02 1.04 1.706187781e+02 2.635731766e+02 3.032711393e+02 1.06 1.526170810e+02 2.398959631e+02 2.769639858e+02 1.08 1.363258564e+02 2.188218407e+02 2.531604040e+02 1.10 1.216127169e+02 1.999799179e+02 2.311965497e+02 1.12 1.085926847e+02 1.830724681e+02 2.109327438e+02 1.14 9.769255128e+01 1.677544187e+02 1.923356437e+02 1.16 8.863595410e+01 1.533584525e+02 1.753454022e+02 1.18 8.046941218e+01 1.395867421e+02 1.598599070e+02 1.20 7.301605408e+01 1.264808295e+02 1.457154479e+02 1.22 6.621417677e+01 1.140313940e+02 1.330354079e+02 1.24 5.992273140e+01 1.022785016e+02 1.219173720e+02 1.26 5.403316993e+01 9.128154247e+01 1.120505911e+02 1.28 4.854482598e+01 8.117349758e+01 1.029331567e+02 1.30 4.345418721e+01 7.223695517e+01 9.429857494e+01 1.32 3.875529536e+01 6.474679865e+01 8.610924545e+01 1.34 3.444167667e+01 5.840421245e+01 7.830567940e+01 1.36 3.050922448e+01 5.302466027e+01 7.090762960e+01 1.38 2.695663231e+01 4.827260769e+01 6.392455870e+01 1.40 2.374713056e+01 4.390298998e+01 5.727324628e+01 1.42 2.088556580e+01 3.988614248e+01 5.095296985e+01 1.44 1.839305057e+01 3.619467983e+01 4.502165751e+01 1.46 1.621235434e+01 3.280332030e+01 3.957982767e+01 1.48 1.424728930e+01 2.968872389e+01 3.479986203e+01 1.50 1.249329670e+01 2.682934284e+01 3.090183544e+01 1.52 1.093302503e+01 2.420528387e+01 2.782329851e+01 1.54 9.497315777e+00 2.179818102e+01 2.517783557e+01 1.56 8.150215550e+00 1.959107840e+01 2.274489546e+01 1.58 6.890686781e+00 1.756832195e+01 2.050497376e+01 1.60 5.703424828e+00 1.571545960e+01 1.844375909e+01 1.62 4.546408475e+00 1.400595383e+01 1.654797541e+01 1.64 3.417067455e+00 1.241248962e+01 1.480530755e+01 1.66 2.313413870e+00 1.092960098e+01 1.320433216e+01 1.68 1.235559297e+00 9.550333109e+00 1.173445356e+01 1.70 2.013508717e-01 8.243490105e+00 1.038584428e+01 1.72 -7.285303161e-01 6.965855258e+00 9.149389861e+00 1.74 -1.439027991e+00 5.731763045e+00 8.016637620e+00 1.76 -1.823624854e+00 4.557877015e+00 6.979749102e+00 1.78 -2.068359501e+00 3.462191939e+00 6.031455958e+00 1.80 -2.281041703e+00 2.466460480e+00 5.165018989e+00 1.82 -2.464556970e+00 1.598455799e+00 4.374190134e+00 1.84 -2.621535945e+00 8.894130589e-01 3.653177186e+00 1.86 -2.755222013e+00 3.613923183e-01 2.993310958e+00 1.88 -2.872041474e+00 -3.505069214e-02 2.373526680e+00 1.90 -2.973846966e+00 -3.890840567e-01 1.794392041e+00 1.92 -3.062909473e+00 -7.110358138e-01 1.258377409e+00 1.94 -3.142621599e+00 -1.013657016e+00 7.656615652e-01 1.96 -3.217187652e+00 -1.299770828e+00 3.071890901e-01 1.98 -3.288459634e+00 -1.574357314e+00 -1.338252624e-01 2.00 -3.344652268e+00 -1.844990568e+00 -5.603988410e-01 2.02 -3.376115534e+00 -2.121316878e+00 -9.793647370e-01 2.04 -3.373093595e+00 -2.413705962e+00 -1.402347678e+00 2.06 -3.324885024e+00 -2.730104641e+00 -1.844133403e+00 2.08 -3.220160900e+00 -3.069267621e+00 -2.315957296e+00 2.10 -3.048427739e+00 -3.408318577e+00 -2.808219977e+00 2.12 -2.803652949e+00 -3.687841227e+00 -3.261059396e+00 2.14 -2.490250441e+00 -3.817482042e+00 -3.552156440e+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 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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 0.000000000e+00 3.76 0.000000000e+00 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