# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2005--Erhart-P-Albe-K--Si-C-I # implementation = Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_004 # 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 2022-10-04 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 2.781207119e+03 nan nan 0.66 2.496760281e+03 nan nan 0.68 2.245513030e+03 nan nan 0.70 2.020264665e+03 2.756865921e+03 nan 0.72 1.820958826e+03 2.495628654e+03 2.760356746e+03 0.74 1.645473096e+03 2.263383031e+03 2.508784998e+03 0.76 1.489018820e+03 2.055754396e+03 2.283239332e+03 0.78 1.349008041e+03 1.871171277e+03 2.078454384e+03 0.80 1.224587331e+03 1.704173866e+03 1.892438633e+03 0.82 1.113821860e+03 1.551999723e+03 1.726705227e+03 0.84 1.013641028e+03 1.414824889e+03 1.579086188e+03 0.86 9.237268466e+02 1.293758567e+03 1.445892260e+03 0.88 8.429087550e+02 1.186542945e+03 1.324128666e+03 0.90 7.679623709e+02 1.088761426e+03 1.213311099e+03 0.92 6.986340462e+02 9.982829631e+02 1.111670780e+03 0.94 6.360701732e+02 9.146046718e+02 1.019713872e+03 0.96 5.811452434e+02 8.379676344e+02 9.369009819e+02 0.98 5.320167422e+02 7.677294852e+02 8.628558058e+02 1.00 4.860346907e+02 7.045578745e+02 7.965667794e+02 1.02 4.428275974e+02 6.479655527e+02 7.351913851e+02 1.04 4.032809784e+02 5.977878198e+02 6.769971786e+02 1.06 3.679902722e+02 5.523448238e+02 6.222975522e+02 1.08 3.367686584e+02 5.095153763e+02 5.718189582e+02 1.10 3.089593532e+02 4.689511624e+02 5.262514719e+02 1.12 2.837517771e+02 4.312915453e+02 4.857706696e+02 1.14 2.610128466e+02 3.971460363e+02 4.492974455e+02 1.16 2.399771212e+02 3.665731320e+02 4.159738901e+02 1.18 2.201714379e+02 3.384649815e+02 3.856354496e+02 1.20 2.017489820e+02 3.120175928e+02 3.578994276e+02 1.22 1.846532939e+02 2.870472634e+02 3.320523936e+02 1.24 1.688438717e+02 2.636683508e+02 3.074821310e+02 1.26 1.543445995e+02 2.419689972e+02 2.843952311e+02 1.28 1.410349543e+02 2.220297731e+02 2.629865616e+02 1.30 1.287882745e+02 2.038613959e+02 2.431848330e+02 1.32 1.176771864e+02 1.875269282e+02 2.250940535e+02 1.34 1.075871583e+02 1.729549975e+02 2.084716364e+02 1.36 9.813282195e+01 1.599511027e+02 1.925754753e+02 1.38 8.922997001e+01 1.479594068e+02 1.772180595e+02 1.40 8.097699063e+01 1.367035667e+02 1.625297859e+02 1.42 7.349067298e+01 1.258945098e+02 1.486462038e+02 1.44 6.683436349e+01 1.153848221e+02 1.357295621e+02 1.46 6.054651629e+01 1.053866796e+02 1.239997616e+02 1.48 5.447858114e+01 9.611297734e+01 1.137367075e+02 1.50 4.865430011e+01 8.764904872e+01 1.049490124e+02 1.52 4.308437439e+01 8.006733578e+01 9.726680115e+01 1.54 3.793022538e+01 7.353136406e+01 9.022957020e+01 1.56 3.343928812e+01 6.791746794e+01 8.356336376e+01 1.58 2.989014889e+01 6.272193661e+01 7.690145195e+01 1.60 2.706815282e+01 5.788995871e+01 7.031758669e+01 1.62 2.446709764e+01 5.339673018e+01 6.392492026e+01 1.64 2.206668302e+01 4.921914363e+01 5.783865408e+01 1.66 1.985258926e+01 4.519593933e+01 5.219342868e+01 1.68 1.781148574e+01 4.118473405e+01 4.715915408e+01 1.70 1.593096350e+01 3.724971129e+01 4.291181825e+01 1.72 1.419947251e+01 3.345392828e+01 3.944103742e+01 1.74 1.260626305e+01 2.986094477e+01 3.626582690e+01 1.76 1.114133121e+01 2.654386906e+01 3.330793050e+01 1.78 9.795367935e+00 2.359199155e+01 3.055330883e+01 1.80 8.559711657e+00 2.109613936e+01 2.798881173e+01 1.82 7.426304047e+00 1.907939130e+01 2.560212201e+01 1.84 6.387648803e+00 1.727403438e+01 2.338170290e+01 1.86 5.436773232e+00 1.559944464e+01 2.131674873e+01 1.88 4.567192427e+00 1.404695820e+01 1.939713881e+01 1.90 3.772875884e+00 1.260846494e+01 1.761007912e+01 1.92 3.048216373e+00 1.126924370e+01 1.587880923e+01 1.94 2.388000932e+00 1.000670811e+01 1.418667241e+01 1.96 1.787383822e+00 8.818026568e+00 1.255030306e+01 1.98 1.237455428e+00 7.700759203e+00 1.098615724e+01 2.00 7.203271272e-01 6.651881231e+00 9.511014420e+00 2.02 2.377384024e-01 5.667845173e+00 8.143104792e+00 2.04 -2.075616838e-01 4.744724840e+00 6.902552540e+00 2.06 -6.138347122e-01 3.878461152e+00 5.809378973e+00 2.08 -9.803095452e-01 3.065230271e+00 4.878134438e+00 2.10 -1.307056218e+00 2.301946781e+00 4.105001474e+00 2.12 -1.594786409e+00 1.586889283e+00 3.411519450e+00 2.14 -1.844598379e+00 9.203788285e-01 2.772546373e+00 2.16 -2.057699303e+00 3.053401246e-01 2.184467985e+00 2.18 -2.235162580e+00 -2.525583388e-01 1.643894442e+00 2.20 -2.378112512e+00 -7.455851432e-01 1.147646783e+00 2.22 -2.481536590e+00 -1.168371309e+00 6.832468833e-01 2.24 -2.532331678e+00 -1.515840967e+00 2.423490364e-01 2.26 -2.522430713e+00 -1.789192155e+00 -1.722459029e-01 2.28 -2.452487133e+00 -2.025672064e+00 -5.583036987e-01 2.30 -2.334124777e+00 -2.233929254e+00 -9.142138921e-01 2.32 -2.188712381e+00 -2.414568257e+00 -1.239002907e+00 2.34 -2.035069341e+00 -2.572980721e+00 -1.532302244e+00 2.36 -1.880780735e+00 -2.710913240e+00 -1.794272398e+00 2.38 -1.750133592e+00 -2.823414926e+00 -2.025486079e+00 2.40 -1.665068310e+00 -2.908018576e+00 -2.226779693e+00 2.42 -1.637400293e+00 -2.965532496e+00 -2.399090991e+00 2.44 -1.629804861e+00 -3.000553568e+00 -2.543315014e+00 2.46 -1.620125397e+00 -3.021415531e+00 -2.660231162e+00 2.48 -1.608552516e+00 -3.039003950e+00 -2.750581089e+00 2.50 -1.595264035e+00 -3.063578804e+00 -2.815402455e+00 2.52 -1.580425748e+00 -3.099029105e+00 -2.856717280e+00 2.54 -1.564192158e+00 -3.136374153e+00 -2.878546615e+00 2.56 -1.546707161e+00 -3.153613433e+00 -2.887801537e+00 2.58 -1.528104696e+00 -3.142607859e+00 -2.893845243e+00 2.60 -1.508509354e+00 -3.121586303e+00 -2.905382447e+00 2.62 -1.488036954e+00 -3.094291102e+00 -2.918271566e+00 2.64 -1.466795080e+00 -3.064117020e+00 -2.925211592e+00 2.66 -1.444883599e+00 -3.031355412e+00 -2.926688962e+00 2.68 -1.422395131e+00 -2.996277563e+00 -2.923158505e+00 2.70 -1.385900688e+00 -2.935164347e+00 -2.903319510e+00 2.72 -1.322866033e+00 -2.824654743e+00 -2.852250749e+00 2.74 -1.235182836e+00 -2.666109915e+00 -2.764375392e+00 2.76 -1.125461445e+00 -2.461999733e+00 -2.634101096e+00 2.78 -9.971706605e-01 -2.216363915e+00 -2.456792722e+00 2.80 -8.547647224e-01 -1.935266571e+00 -2.229799375e+00 2.82 -7.037602105e-01 -1.627214310e+00 -1.953602529e+00 2.84 -5.507158614e-01 -1.303512305e+00 -1.633200340e+00 2.86 -4.030593289e-01 -9.785231912e-01 -1.279849059e+00 2.88 -2.687054501e-01 -6.697374457e-01 -9.131156428e-01 2.90 -1.554344838e-01 -3.973945001e-01 -5.625821753e-01 2.92 -7.005893817e-02 -1.830704244e-01 -2.672241347e-01 2.94 -1.750145992e-02 -4.642224973e-02 -6.914362909e-02 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 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