# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Tersoff-J--Si-C # implementation = 1989--Tersoff-J--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 1.621586058e+03 nan nan 0.66 1.439632827e+03 nan nan 0.68 1.281122652e+03 nan nan 0.70 1.143753752e+03 1.597948110e+03 nan 0.72 1.022355633e+03 1.436564761e+03 1.604932879e+03 0.74 9.180915486e+02 1.298800359e+03 1.450360378e+03 0.76 8.297102544e+02 1.173178714e+03 1.312241271e+03 0.78 7.514833135e+02 1.056532626e+03 1.188121433e+03 0.80 6.803684353e+02 9.521298613e+02 1.077509410e+03 0.82 6.159184866e+02 8.626951546e+02 9.783259809e+02 0.84 5.546469055e+02 7.868964899e+02 8.901275787e+02 0.86 4.960982957e+02 7.187302123e+02 8.088213956e+02 0.88 4.427469822e+02 6.552442612e+02 7.322495410e+02 0.90 3.965516618e+02 5.955321496e+02 6.610089331e+02 0.92 3.580358891e+02 5.400899324e+02 5.970733892e+02 0.94 3.258297876e+02 4.893414200e+02 5.425634490e+02 0.96 2.970441183e+02 4.434879907e+02 4.973309841e+02 0.98 2.691073335e+02 4.018694986e+02 4.559933567e+02 1.00 2.409044812e+02 3.639541302e+02 4.175959727e+02 1.02 2.135411150e+02 3.294425797e+02 3.813335459e+02 1.04 1.880604467e+02 2.986588934e+02 3.478026906e+02 1.06 1.655289417e+02 2.723140163e+02 3.169395947e+02 1.08 1.463749524e+02 2.496462869e+02 2.881866147e+02 1.10 1.310688821e+02 2.297183764e+02 2.619069538e+02 1.12 1.187855626e+02 2.112639694e+02 2.384206434e+02 1.14 1.083728273e+02 1.933385802e+02 2.172220512e+02 1.16 9.883163748e+01 1.760544457e+02 1.976861788e+02 1.18 9.008045135e+01 1.588219146e+02 1.801244430e+02 1.20 8.205501697e+01 1.417238767e+02 1.648072222e+02 1.22 7.469632425e+01 1.251856540e+02 1.517539487e+02 1.24 6.776563693e+01 1.097039962e+02 1.400754347e+02 1.26 6.098297264e+01 9.594570077e+01 1.292833072e+02 1.28 5.444387609e+01 8.441541391e+01 1.192253287e+02 1.30 4.825283390e+01 7.561755992e+01 1.090763231e+02 1.32 4.251569047e+01 6.896722488e+01 9.882667456e+01 1.34 3.733926934e+01 6.304488862e+01 8.871420649e+01 1.36 3.280419725e+01 5.757487230e+01 7.890904617e+01 1.38 2.887704636e+01 5.252429504e+01 6.937568924e+01 1.40 2.555180108e+01 4.786261531e+01 6.031674933e+01 1.42 2.252392917e+01 4.356146575e+01 5.205580846e+01 1.44 1.974170911e+01 3.959449969e+01 4.505068947e+01 1.46 1.723737502e+01 3.593724851e+01 3.963681890e+01 1.48 1.501528673e+01 3.256698899e+01 3.523502813e+01 1.50 1.298053779e+01 2.946262008e+01 3.174652672e+01 1.52 1.107543630e+01 2.660454836e+01 2.874166367e+01 1.54 9.256416524e+00 2.397458152e+01 2.596562504e+01 1.56 7.538620296e+00 2.155569110e+01 2.340242119e+01 1.58 5.874550605e+00 1.928994643e+01 2.103713449e+01 1.60 4.239309404e+00 1.714244940e+01 1.885584893e+01 1.62 2.656206706e+00 1.511693451e+01 1.684558433e+01 1.64 1.152661835e+00 1.321530461e+01 1.499423484e+01 1.66 -2.264967068e-01 1.142986413e+01 1.329051143e+01 1.68 -1.404965418e+00 9.667051364e+00 1.172388805e+01 1.70 -2.279239805e+00 7.928177915e+00 1.028455141e+01 1.72 -2.775428098e+00 6.251066684e+00 8.963353947e+00 1.74 -3.066131941e+00 4.674358176e+00 7.751769844e+00 1.76 -3.301129276e+00 3.238285204e+00 6.641853979e+00 1.78 -3.502108854e+00 1.985912322e+00 5.626203491e+00 1.80 -3.672091093e+00 9.612995717e-01 4.697921874e+00 1.82 -3.819542221e+00 1.809368595e-01 3.817677081e+00 1.84 -3.950085748e+00 -4.036011629e-01 2.960964118e+00 1.86 -4.063164185e+00 -9.085852720e-01 2.142481467e+00 1.88 -4.159266094e+00 -1.380739846e+00 1.374624610e+00 1.90 -4.239723473e+00 -1.820060281e+00 6.664342016e-01 1.92 -4.306421659e+00 -2.232010172e+00 1.741954550e-02 1.94 -4.361422860e+00 -2.630336142e+00 -5.959778769e-01 1.96 -4.406508951e+00 -3.009465895e+00 -1.172740905e+00 1.98 -4.437414781e+00 -3.362856275e+00 -1.711526727e+00 2.00 -4.402572986e+00 -3.684797965e+00 -2.213060127e+00 2.02 -4.277746343e+00 -3.968663529e+00 -2.676452109e+00 2.04 -4.053517833e+00 -4.203938750e+00 -3.093887535e+00 2.06 -3.727771891e+00 -4.372164480e+00 -3.445730944e+00 2.08 -3.308060298e+00 -4.444531440e+00 -3.701472333e+00 2.10 -2.813882585e+00 -4.393396802e+00 -3.833223785e+00 2.12 -2.279914355e+00 -4.279514967e+00 -3.877080542e+00 2.14 -1.738390695e+00 -4.172389271e+00 -3.892342555e+00 2.16 -1.218626615e+00 -4.081759625e+00 -3.897385452e+00 2.18 -7.532887804e-01 -4.014499818e+00 -3.893220657e+00 2.20 -3.762176305e-01 -3.951292100e+00 -3.880726385e+00 2.22 -1.188484996e-01 -3.867160769e+00 -3.850227120e+00 2.24 -4.743984917e-03 -3.722933778e+00 -3.776203601e+00 2.26 0.000000000e+00 -3.520567721e+00 -3.653673777e+00 2.28 0.000000000e+00 -3.265080302e+00 -3.479225561e+00 2.30 0.000000000e+00 -2.963183203e+00 -3.251075079e+00 2.32 0.000000000e+00 -2.623430663e+00 -2.969925413e+00 2.34 0.000000000e+00 -2.256279451e+00 -2.639718094e+00 2.36 0.000000000e+00 -1.874029796e+00 -2.268241077e+00 2.38 0.000000000e+00 -1.490618743e+00 -1.867553683e+00 2.40 0.000000000e+00 -1.121237559e+00 -1.454170742e+00 2.42 0.000000000e+00 -7.817439729e-01 -1.048908212e+00 2.44 0.000000000e+00 -4.878411851e-01 -6.762255435e-01 2.46 0.000000000e+00 -2.540043154e-01 -3.628104906e-01 2.48 0.000000000e+00 -9.215861068e-02 -1.350687369e-01 2.50 0.000000000e+00 -1.014975687e-02 -1.515621421e-02 2.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 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 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 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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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