# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2007--Vashishta-P-Kalia-R-K-Nakano-A-Rino-J-P--Si-C # implementation = 2007--Vashishta-P--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 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 nan nan nan 1.16 nan nan nan 1.18 nan nan nan 1.20 3.429539119e+02 nan nan 1.22 3.059636754e+02 nan nan 1.24 2.737567801e+02 nan nan 1.26 2.455676964e+02 nan nan 1.28 2.208191044e+02 nan nan 1.30 1.990171267e+02 nan nan 1.32 1.797516887e+02 3.132645932e+02 nan 1.34 1.626818841e+02 2.816223210e+02 3.452614326e+02 1.36 1.475262970e+02 2.538414269e+02 3.113301607e+02 1.38 1.340442560e+02 2.294352201e+02 2.812694710e+02 1.40 1.220319079e+02 2.079703916e+02 2.545853318e+02 1.42 1.113120436e+02 1.890638197e+02 2.308451005e+02 1.44 1.017340123e+02 1.723723163e+02 2.096940412e+02 1.46 9.317433258e+01 1.575689908e+02 1.908276547e+02 1.48 8.552958132e+01 1.443616118e+02 1.739841087e+02 1.50 7.871169260e+01 1.325287516e+02 1.589440245e+02 1.52 7.262501052e+01 1.218978563e+02 1.455160320e+02 1.54 6.716848723e+01 1.123213437e+02 1.335317828e+02 1.56 6.225127928e+01 1.036779398e+02 1.228405806e+02 1.58 5.779680312e+01 9.586223546e+01 1.132973553e+02 1.60 5.374806893e+01 8.878220003e+01 1.047516344e+02 1.62 5.005659039e+01 8.235608522e+01 9.705791207e+01 1.64 4.668338538e+01 7.651351652e+01 9.008980966e+01 1.66 4.359323287e+01 7.119313259e+01 8.375537569e+01 1.68 4.075162010e+01 6.634106130e+01 7.798233627e+01 1.70 3.813590206e+01 6.190990956e+01 7.271257924e+01 1.72 3.572494196e+01 5.785120751e+01 6.789503770e+01 1.74 3.349924485e+01 5.412002548e+01 6.348398246e+01 1.76 3.144158936e+01 5.068429723e+01 5.943292186e+01 1.78 2.953544984e+01 4.751567625e+01 5.570513489e+01 1.80 2.776999748e+01 4.458904603e+01 5.226966493e+01 1.82 2.613183741e+01 4.188211544e+01 4.909902747e+01 1.84 2.461019143e+01 3.937505240e+01 4.616875135e+01 1.86 2.319449299e+01 3.704890472e+01 4.345508722e+01 1.88 2.187424858e+01 3.488718777e+01 4.093745742e+01 1.90 2.063922507e+01 3.287595495e+01 3.859862112e+01 1.92 1.948514037e+01 3.100275254e+01 3.642316132e+01 1.94 1.840597695e+01 2.925644952e+01 3.439726934e+01 1.96 1.739631544e+01 2.762708717e+01 3.250855918e+01 1.98 1.645129252e+01 2.610574628e+01 3.074590767e+01 2.00 1.556653981e+01 2.468443117e+01 2.909931309e+01 2.02 1.473549674e+01 2.335562338e+01 2.755977114e+01 2.04 1.395406464e+01 2.210895971e+01 2.611916609e+01 2.06 1.322025712e+01 2.093769008e+01 2.477017835e+01 2.08 1.253070390e+01 1.983678266e+01 2.350619598e+01 2.10 1.188288520e+01 1.880171420e+01 2.232123852e+01 2.12 1.127451815e+01 1.782841108e+01 2.120989388e+01 2.14 1.070284871e+01 1.691319577e+01 2.016522966e+01 2.16 1.016506265e+01 1.605273564e+01 1.918006371e+01 2.18 9.658983059e+00 1.524399509e+01 1.825049857e+01 2.20 9.181656023e+00 1.448418649e+01 1.737302196e+01 2.22 8.734018540e+00 1.377072708e+01 1.654445132e+01 2.24 8.314437238e+00 1.310119679e+01 1.576190233e+01 2.26 7.921149538e+00 1.247304934e+01 1.502275789e+01 2.28 7.552775590e+00 1.188245814e+01 1.432464148e+01 2.30 7.207932298e+00 1.132701771e+01 1.366539341e+01 2.32 6.885220744e+00 1.080463860e+01 1.304304838e+01 2.34 6.583222837e+00 1.031322154e+01 1.245455387e+01 2.36 6.300510328e+00 9.850644469e+00 1.189561119e+01 2.38 6.035668669e+00 9.414769105e+00 1.136474046e+01 2.40 5.786478299e+00 9.003483915e+00 1.086066880e+01 2.42 5.549758835e+00 8.614805242e+00 1.038221888e+01 2.44 5.325004811e+00 8.247030156e+00 9.928291647e+00 2.46 5.111529491e+00 7.898844642e+00 9.497849563e+00 2.48 4.907779715e+00 7.569247745e+00 9.089900721e+00 2.50 4.713077702e+00 7.257369239e+00 8.703479652e+00 2.52 4.526972831e+00 6.962388765e+00 8.337632367e+00 2.54 4.349058095e+00 6.683521808e+00 7.991401850e+00 2.56 4.178955436e+00 6.420012981e+00 7.663815363e+00 2.58 4.016311781e+00 6.171130592e+00 7.353875091e+00 2.60 3.860793031e+00 5.936155023e+00 7.060551684e+00 2.62 3.711171093e+00 5.712554833e+00 6.782330900e+00 2.64 3.566481043e+00 5.498305417e+00 6.517803639e+00 2.66 3.426492717e+00 5.292839158e+00 6.265922719e+00 2.68 3.290991138e+00 5.095615825e+00 6.025673312e+00 2.70 3.159274545e+00 4.906131460e+00 5.796108937e+00 2.72 3.030171061e+00 4.723927413e+00 5.576387546e+00 2.74 2.903809055e+00 4.548596746e+00 5.365798002e+00 2.76 2.781712553e+00 4.379785011e+00 5.163766654e+00 2.78 2.663973106e+00 4.217184026e+00 4.969839157e+00 2.80 2.550426285e+00 4.060520614e+00 4.783645724e+00 2.82 2.440916884e+00 3.909545396e+00 4.604863396e+00 2.84 2.335298253e+00 3.764025834e+00 4.433194019e+00 2.86 2.233431702e+00 3.623743592e+00 4.268357583e+00 2.88 2.135185937e+00 3.488493576e+00 4.110090147e+00 2.90 2.040436554e+00 3.358081814e+00 3.958142657e+00 2.92 1.949065570e+00 3.232325238e+00 3.812279890e+00 2.94 1.860960989e+00 3.111051412e+00 3.672279488e+00 2.96 1.776016405e+00 2.994097428e+00 3.537931061e+00 2.98 1.694130634e+00 2.881308675e+00 3.409035374e+00 3.00 1.615207377e+00 2.772538753e+00 3.285403588e+00 3.02 1.539154908e+00 2.667648911e+00 3.166473690e+00 3.04 1.465885783e+00 2.566507543e+00 3.051654939e+00 3.06 1.395316573e+00 2.468989708e+00 2.940803533e+00 3.08 1.327367620e+00 2.374976699e+00 2.833783490e+00 3.10 1.261962803e+00 2.284355640e+00 2.730465760e+00 3.12 1.199029331e+00 2.197019110e+00 2.630727769e+00 3.14 1.138472534e+00 2.112864802e+00 2.534453004e+00 3.16 1.079828461e+00 2.031795203e+00 2.441530627e+00 3.18 1.022904957e+00 1.953717297e+00 2.351855115e+00 3.20 9.676526683e-01 1.878337218e+00 2.265325929e+00 3.22 9.142247631e-01 1.805242195e+00 2.181847211e+00 3.24 8.633611956e-01 1.734357850e+00 2.101327490e+00 3.26 8.150785538e-01 1.665617814e+00 2.023679428e+00 3.28 7.693132197e-01 1.598958736e+00 1.948819565e+00 3.30 7.258958891e-01 1.534320105e+00 1.876668256e+00 3.32 6.843991580e-01 1.471644080e+00 1.807149692e+00 3.34 6.447446586e-01 1.410875338e+00 1.740190795e+00 3.36 6.068875072e-01 1.351960924e+00 1.675721499e+00 3.38 5.707844199e-01 1.294850117e+00 1.613674619e+00 3.40 5.363936334e-01 1.239494303e+00 1.553985701e+00 3.42 5.036748303e-01 1.185846861e+00 1.496592862e+00 3.44 4.725890698e-01 1.133863047e+00 1.441436659e+00 3.46 4.430987216e-01 1.083499897e+00 1.388459952e+00 3.48 4.151674043e-01 1.034716126e+00 1.337607787e+00 3.50 3.887599280e-01 9.874720449e-01 1.288827282e+00 3.52 3.638422392e-01 9.417294700e-01 1.242067515e+00 3.54 3.403813698e-01 8.974516486e-01 1.197279430e+00 3.56 3.183453886e-01 8.546031843e-01 1.154415739e+00 3.58 2.977033560e-01 8.131499681e-01 1.113430838e+00 3.60 2.784252808e-01 7.730591140e-01 1.074280721e+00 3.62 2.604820795e-01 7.342988984e-01 1.036922903e+00 3.64 2.438455381e-01 6.968387029e-01 1.001316348e+00 3.66 2.284882761e-01 6.606489613e-01 9.674214025e-01 3.68 2.143708876e-01 6.257011154e-01 9.351740779e-01 3.70 2.011874275e-01 5.919676948e-01 9.039770305e-01 3.72 1.888042860e-01 5.594220563e-01 8.735773134e-01 3.74 1.772045329e-01 5.280383670e-01 8.439550693e-01 3.76 1.663717491e-01 4.977916223e-01 8.150911986e-01 3.78 1.562900052e-01 4.686576086e-01 7.869673203e-01 3.80 1.469438411e-01 4.406128683e-01 7.595657365e-01 3.82 1.383182465e-01 4.136346667e-01 7.328693969e-01 3.84 1.303986430e-01 3.877009626e-01 7.068618678e-01 3.86 1.231708660e-01 3.627906956e-01 6.815273011e-01 3.88 1.166211491e-01 3.388833552e-01 6.568504061e-01 3.90 1.107361078e-01 3.159588004e-01 6.328164228e-01 3.92 1.055027252e-01 2.939974719e-01 6.094110964e-01 3.94 1.007944639e-01 2.729803686e-01 5.866206539e-01 3.96 9.606807153e-02 2.528890251e-01 5.644317812e-01 3.98 9.125499474e-02 2.337054906e-01 5.428316026e-01 4.00 8.635574952e-02 2.154123088e-01 5.218076601e-01 4.02 8.137089694e-02 1.979924986e-01 5.013478954e-01 4.04 7.630103881e-02 1.814295360e-01 4.814406313e-01 4.06 7.114681378e-02 1.657073371e-01 4.620745555e-01 4.08 6.591254322e-02 1.508102413e-01 4.432387045e-01 4.10 6.080715508e-02 1.367229960e-01 4.249224485e-01 4.12 5.594800891e-02 1.234307417e-01 4.071154772e-01 4.14 5.133034287e-02 1.109189976e-01 3.898077866e-01 4.16 4.694952880e-02 9.917364847e-02 3.729896657e-01 4.18 4.280106691e-02 8.818093148e-02 3.566516850e-01 4.20 3.888058082e-02 7.792742417e-02 3.407846846e-01 4.22 3.518381271e-02 6.840003265e-02 3.253797636e-01 4.24 3.170661886e-02 5.958598045e-02 3.104282697e-01 4.26 2.841049468e-02 5.147279783e-02 2.959219446e-01 4.28 2.522687020e-02 4.404831159e-02 2.818528992e-01 4.30 2.215194009e-02 3.730063534e-02 2.682131760e-01 4.32 1.918355213e-02 3.121816014e-02 2.549950222e-01 4.34 1.631961838e-02 2.578954561e-02 2.421908882e-01 4.36 1.355811258e-02 2.100371135e-02 2.297934209e-01 4.38 1.089706751e-02 1.684982876e-02 2.177954557e-01 4.40 8.334572632e-03 1.331731324e-02 2.061900104e-01 4.42 5.868771807e-03 1.039581657e-02 1.949702779e-01 4.44 3.497861088e-03 8.075219817e-03 1.841296207e-01 4.46 1.220086670e-03 6.345626301e-03 1.736615645e-01 4.48 -9.662570729e-04 5.197355022e-03 1.635597926e-01 4.50 -3.062829458e-03 4.620934244e-03 1.538181405e-01 4.52 -5.071245267e-03 4.359380541e-03 1.444305909e-01 4.54 -6.993076443e-03 4.111872676e-03 1.353912684e-01 4.56 -8.829853689e-03 3.877135985e-03 1.266944353e-01 4.58 -1.058306801e-02 3.654532190e-03 1.183344864e-01 4.60 -1.225417217e-02 3.443455478e-03 1.103059454e-01 4.62 -1.384458207e-02 3.243330771e-03 1.026034601e-01 4.64 -1.535567810e-02 3.053612099e-03 9.522179879e-02 4.66 -1.678880640e-02 2.873781054e-03 8.815584656e-02 4.68 -1.814528003e-02 2.703345347e-03 8.140060133e-02 4.70 -1.942638018e-02 2.541837428e-03 7.495117055e-02 4.72 -2.063335723e-02 2.388813191e-03 6.880276785e-02 4.74 -2.176743182e-02 2.243850753e-03 6.295070977e-02 4.76 -2.282979584e-02 2.106549295e-03 5.739041270e-02 4.78 -2.382161342e-02 1.976527966e-03 5.211738993e-02 4.80 -2.474402181e-02 1.853424852e-03 4.712724879e-02 4.82 -2.559813231e-02 1.736895998e-03 4.241568790e-02 4.84 -2.638503105e-02 1.626614482e-03 3.797849458e-02 4.86 -2.710577985e-02 1.522269544e-03 3.381154228e-02 4.88 -2.776141697e-02 1.423565755e-03 2.991078818e-02 4.90 -2.835295785e-02 1.330222235e-03 2.627227082e-02 4.92 -2.888139583e-02 1.241971917e-03 2.289210786e-02 4.94 -2.934770281e-02 1.158560837e-03 1.976649392e-02 4.96 -2.975282993e-02 1.079747479e-03 1.689169846e-02 4.98 -3.009770816e-02 1.005302141e-03 1.426406378e-02 5.00 -3.038324896e-02 9.350063435e-04 1.188000308e-02 5.02 -3.061034480e-02 8.686522614e-04 9.735998561e-03 5.04 -3.077986974e-02 8.060421934e-04 7.828599653e-03 5.06 -3.089267997e-02 7.469880545e-04 6.154421237e-03 5.08 -3.094961430e-02 6.913108963e-04 4.710141974e-03 5.10 -3.095149468e-02 6.388404529e-04 3.492502672e-03 5.12 -3.089912667e-02 5.894147092e-04 2.498304715e-03 5.14 -3.079329988e-02 5.428794929e-04 1.724408542e-03 5.16 -3.063478842e-02 4.990880868e-04 1.167732180e-03 5.18 -3.042435134e-02 4.579008610e-04 8.252498215e-04 5.20 -3.016273299e-02 4.191849245e-04 6.920274902e-04 5.22 -2.985066348e-02 3.828137945e-04 6.385755015e-04 5.24 -2.948885901e-02 3.486670824e-04 5.881410659e-04 5.26 -2.907802225e-02 3.166301959e-04 5.405767812e-04 5.28 -2.861884271e-02 2.865940565e-04 4.957421692e-04 5.30 -2.811199704e-02 2.584548311e-04 4.535033430e-04 5.32 -2.755814941e-02 2.321136767e-04 4.137326913e-04 5.34 -2.695795178e-02 2.074764993e-04 3.763085783e-04 5.36 -2.631204424e-02 1.844537234e-04 3.411150587e-04 5.38 -2.562105530e-02 1.629600741e-04 3.080416068e-04 5.40 -2.488560216e-02 1.429143698e-04 2.769828591e-04 5.42 -2.410629100e-02 1.242393249e-04 2.478383695e-04 5.44 -2.328371725e-02 1.068613631e-04 2.205123770e-04 5.46 -2.241846585e-02 9.071043906e-05 1.949135841e-04 5.48 -2.151111148e-02 7.571986967e-05 1.709549465e-04 5.50 -2.056221884e-02 6.182617321e-05 1.485534734e-04 5.52 -1.957234284e-02 4.896891663e-05 1.276300370e-04 5.54 -1.854202887e-02 3.709057022e-05 1.081091914e-04 5.56 -1.747181300e-02 2.613636956e-05 8.991900062e-05 5.58 -1.636222219e-02 1.605418409e-05 7.299087452e-05 5.60 -1.521377450e-02 6.794392172e-06 5.725941303e-05 5.62 -1.402697929e-02 -1.690237738e-06 4.266225761e-05 5.64 -1.280233744e-02 -9.444660195e-06 2.913995001e-05 5.66 -1.154034150e-02 -1.651166036e-05 1.663579774e-05 5.68 -1.024147590e-02 -2.293195636e-05 5.095746021e-06 5.70 -8.906217095e-03 -2.874429675e-05 -5.531744170e-06 5.72 -7.535033793e-03 -3.398555322e-05 -1.529581224e-05 5.74 -6.128387072e-03 -3.869080888e-05 -2.424330858e-05 5.76 -4.686730569e-03 -4.289344232e-05 -3.241889996e-05 5.78 -3.210510630e-03 -4.662520756e-05 -3.986516986e-05 5.80 -1.700166463e-03 -4.991631029e-05 -4.662271417e-05 5.82 -1.561302929e-04 -5.279548039e-05 -5.273023227e-05 5.84 1.421172498e-03 -5.529004102e-05 -5.822461389e-05 5.86 3.031323225e-03 -5.742597442e-05 -6.314102187e-05 5.88 4.673909769e-03 -5.922798459e-05 -6.751297107e-05 5.90 6.348526434e-03 -6.071955703e-05 -7.137240356e-05 5.92 8.054773827e-03 -6.192301559e-05 -7.474976031e-05 5.94 9.792258723e-03 -6.285957668e-05 -7.767404957e-05 5.96 1.156059395e-02 -6.354940094e-05 -8.017291202e-05 5.98 1.335939825e-02 -6.401164245e-05 -8.227268298e-05 6.00 1.518829619e-02 -6.426449562e-05 -8.399845161e-05