# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Plummer-G-Tucker-G-J--Ti-Si-C # implementation = 2019--Plummer-G--Ti-Si-C--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 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 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 5.757882130e+03 nan nan 0.74 5.148996542e+03 nan nan 0.76 4.608234324e+03 nan nan 0.78 4.132206954e+03 5.909245254e+03 nan 0.80 3.710813466e+03 5.331196929e+03 5.928783963e+03 0.82 3.334757086e+03 4.814436626e+03 5.362205108e+03 0.84 2.997642526e+03 4.352299782e+03 4.856016086e+03 0.86 2.695391911e+03 3.939828803e+03 4.402227420e+03 0.88 2.425795601e+03 3.568986123e+03 3.994794656e+03 0.90 2.186036025e+03 3.234208491e+03 3.629682537e+03 0.92 1.969993831e+03 2.932238044e+03 3.300641079e+03 0.94 1.774709543e+03 2.661886656e+03 3.000705941e+03 0.96 1.600246136e+03 2.417842598e+03 2.727022608e+03 0.98 1.444557968e+03 2.195216799e+03 2.479673294e+03 1.00 1.303832886e+03 1.992247804e+03 2.257174095e+03 1.02 1.177301044e+03 1.808955873e+03 2.055631422e+03 1.04 1.064381797e+03 1.645645415e+03 1.873613471e+03 1.06 9.634791053e+02 1.499104301e+03 1.707515133e+03 1.08 8.711165352e+02 1.366808155e+03 1.557026719e+03 1.10 7.857754540e+02 1.246536928e+03 1.419729769e+03 1.12 7.072377582e+02 1.135664643e+03 1.294211262e+03 1.14 6.363285012e+02 1.033911288e+03 1.180087877e+03 1.16 5.736168876e+02 9.408022063e+02 1.076382770e+03 1.18 5.172210838e+02 8.552043231e+02 9.830150172e+02 1.20 4.662889294e+02 7.767404462e+02 8.991613513e+02 1.22 4.191994979e+02 7.047723898e+02 8.231073523e+02 1.24 3.763274840e+02 6.398765306e+02 7.534762593e+02 1.26 3.380809781e+02 5.823630820e+02 6.883978733e+02 1.28 3.039823763e+02 5.302949864e+02 6.275918267e+02 1.30 2.739935783e+02 4.825650887e+02 5.713612611e+02 1.32 2.471692007e+02 4.385735187e+02 5.203344611e+02 1.34 2.229085976e+02 3.979073486e+02 4.748984992e+02 1.36 2.010888055e+02 3.608043562e+02 4.339042978e+02 1.38 1.815947061e+02 3.278483208e+02 3.959504368e+02 1.40 1.641843466e+02 2.986152005e+02 3.610393013e+02 1.42 1.482788003e+02 2.726251509e+02 3.292308065e+02 1.44 1.336095984e+02 2.485478352e+02 3.005670843e+02 1.46 1.201898516e+02 2.261011374e+02 2.747266265e+02 1.48 1.078345292e+02 2.052776520e+02 2.506892384e+02 1.50 9.657121057e+01 1.860920441e+02 2.283239904e+02 1.52 8.646307789e+01 1.685575268e+02 2.077623417e+02 1.54 7.726920707e+01 1.526535291e+02 1.889911546e+02 1.56 6.897461400e+01 1.381295447e+02 1.720239002e+02 1.58 6.162845078e+01 1.248251645e+02 1.569541390e+02 1.60 5.515411902e+01 1.127260061e+02 1.435485127e+02 1.62 4.925790731e+01 1.018123013e+02 1.311790065e+02 1.64 4.382660035e+01 9.196092800e+01 1.196038265e+02 1.66 3.872569836e+01 8.305562776e+01 1.085167820e+02 1.68 3.397039663e+01 7.509748165e+01 9.793720972e+01 1.70 2.959879439e+01 6.786558524e+01 8.792985474e+01 1.72 2.566048062e+01 6.098803129e+01 7.859528087e+01 1.74 2.220240567e+01 5.437035426e+01 7.006691525e+01 1.76 1.902413132e+01 4.810694161e+01 6.248622344e+01 1.78 1.602475041e+01 4.231223303e+01 5.593693374e+01 1.80 1.309045710e+01 3.699108170e+01 5.013407953e+01 1.82 1.017091294e+01 3.224945469e+01 4.496115446e+01 1.84 7.360093813e+00 2.826207679e+01 4.042047786e+01 1.86 4.829898470e+00 2.510722968e+01 3.647997637e+01 1.88 2.832249608e+00 2.236588765e+01 3.292740937e+01 1.90 1.587595245e+00 1.987324644e+01 2.945132203e+01 1.92 7.260931848e-01 1.760771809e+01 2.595661477e+01 1.94 -3.397401556e-02 1.554957859e+01 2.248271397e+01 1.96 -7.025653185e-01 1.368080587e+01 1.908066886e+01 1.98 -1.288706020e+00 1.198493207e+01 1.582653821e+01 2.00 -1.800574537e+00 1.042152286e+01 1.283713089e+01 2.02 -2.245581099e+00 8.830524718e+00 1.027092114e+01 2.04 -2.630439116e+00 7.204666892e+00 8.287279425e+00 2.06 -2.961229891e+00 5.568368767e+00 6.892984588e+00 2.08 -3.243461317e+00 3.952555609e+00 5.686959334e+00 2.10 -3.482121110e+00 2.401925770e+00 4.597402968e+00 2.12 -3.681725096e+00 9.827826452e-01 3.614306876e+00 2.14 -3.846361012e+00 -2.167752179e-01 2.728498222e+00 2.16 -3.979728242e+00 -1.106310886e+00 1.931570330e+00 2.18 -4.085173860e+00 -1.647850848e+00 1.215818903e+00 2.20 -4.165725336e+00 -2.059008152e+00 5.741835656e-01 2.22 -4.224120209e+00 -2.419743218e+00 1.943062279e-04 2.24 -4.262833011e+00 -2.734728753e+00 -5.120776115e-01 2.26 -4.284099699e+00 -3.008231019e+00 -9.680646360e-01 2.28 -4.289939825e+00 -3.244144849e+00 -1.372744160e+00 2.30 -4.282176654e+00 -3.446025620e+00 -1.730964133e+00 2.32 -4.262455429e+00 -3.617118469e+00 -2.082252810e+00 2.34 -4.232259942e+00 -3.760384971e+00 -2.447938147e+00 2.36 -4.192927576e+00 -3.879012053e+00 -2.821078344e+00 2.38 -4.145662958e+00 -3.976849875e+00 -3.193569715e+00 2.40 -4.091550357e+00 -4.056129604e+00 -3.555572381e+00 2.42 -4.031564931e+00 -4.118869340e+00 -3.894800837e+00 2.44 -3.963920802e+00 -4.166968691e+00 -4.196208017e+00 2.46 -3.885085315e+00 -4.202195051e+00 -4.442816827e+00 2.48 -3.796584642e+00 -4.226168006e+00 -4.618336081e+00 2.50 -3.700030186e+00 -4.240342529e+00 -4.711387376e+00 2.52 -3.596998580e+00 -4.245991839e+00 -4.727924810e+00 2.54 -3.489012874e+00 -4.244191031e+00 -4.723129143e+00 2.56 -3.377523599e+00 -4.235803005e+00 -4.707547131e+00 2.58 -3.263890791e+00 -4.221468750e+00 -4.682366431e+00 2.60 -3.149368174e+00 -4.201604571e+00 -4.648669814e+00 2.62 -3.035090870e+00 -4.176409305e+00 -4.607443966e+00 2.64 -2.922068239e+00 -4.145884649e+00 -4.559587555e+00 2.66 -2.810418079e+00 -4.109871151e+00 -4.505918624e+00 2.68 -2.689534788e+00 -4.068100874e+00 -4.447181376e+00 2.70 -2.555068542e+00 -4.020265140e+00 -4.384052385e+00 2.72 -2.406890782e+00 -3.965240835e+00 -4.316280256e+00 2.74 -2.246198687e+00 -3.898686999e+00 -4.240170055e+00 2.76 -2.075920703e+00 -3.820612093e+00 -4.156183819e+00 2.78 -1.901050543e+00 -3.731982840e+00 -4.065424144e+00 2.80 -1.728784369e+00 -3.636022340e+00 -3.968967074e+00 2.82 -1.568256971e+00 -3.536282891e+00 -3.867856726e+00 2.84 -1.429605845e+00 -3.431999504e+00 -3.763099155e+00 2.86 -1.322185959e+00 -3.322810127e+00 -3.655655934e+00 2.88 -1.251541154e+00 -3.209214416e+00 -3.546437956e+00 2.90 -1.212320719e+00 -3.092205064e+00 -3.436299983e+00 2.92 -1.185763330e+00 -2.973315989e+00 -3.326036529e+00 2.94 -1.159405026e+00 -2.854594320e+00 -3.216379706e+00 2.96 -1.133273488e+00 -2.738456173e+00 -3.107999726e+00 2.98 -1.107393751e+00 -2.627388368e+00 -3.001508751e+00 3.00 -1.081788370e+00 -2.523487267e+00 -2.897468776e+00 3.02 -1.056477596e+00 -2.427908782e+00 -2.796403957e+00 3.04 -1.031479521e+00 -2.340449222e+00 -2.698817275e+00 3.06 -1.006810235e+00 -2.259606582e+00 -2.605210212e+00 3.08 -9.824839537e-01 -2.183442000e+00 -2.516102060e+00 3.10 -9.585131570e-01 -2.112072794e+00 -2.432042260e+00 3.12 -9.349087052e-01 -2.045821394e+00 -2.353605277e+00 3.14 -9.116799561e-01 -1.984570345e+00 -2.281354819e+00 3.16 -8.888348719e-01 -1.928126165e+00 -2.215766734e+00 3.18 -8.663801206e-01 -1.876206882e+00 -2.157112752e+00 3.20 -8.443211713e-01 -1.828431741e+00 -2.105331169e+00 3.22 -8.226623832e-01 -1.784082034e+00 -2.059432675e+00 3.24 -8.014070893e-01 -1.740826303e+00 -2.014757568e+00 3.26 -7.787086313e-01 -1.694781673e+00 -1.967420585e+00 3.28 -7.439647826e-01 -1.626118780e+00 -1.899987178e+00 3.30 -6.967507024e-01 -1.533494299e+00 -1.810199056e+00 3.32 -6.388489428e-01 -1.419446464e+00 -1.698742898e+00 3.34 -5.723321285e-01 -1.286951369e+00 -1.566486477e+00 3.36 -4.995413914e-01 -1.139497270e+00 -1.414747611e+00 3.38 -4.230558177e-01 -9.811590598e-01 -1.245596794e+00 3.40 -3.456441488e-01 -8.166616623e-01 -1.062200326e+00 3.42 -2.701904556e-01 -6.514183668e-01 -8.692047434e-01 3.44 -1.995875419e-01 -4.915218428e-01 -6.731348198e-01 3.46 -1.365962207e-01 -3.436475163e-01 -4.827067803e-01 3.48 -8.367582963e-02 -2.147993560e-01 -3.088308327e-01 3.50 -4.280088659e-02 -1.118005458e-01 -1.639273396e-01 3.52 -1.528853806e-02 -4.045397865e-02 -6.016824933e-02 3.54 -1.667733743e-03 -4.443374652e-03 -6.658678304e-03 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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