# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Jiang-C-Morgan-D-Szlufarska-I--Si-C # implementation = 2012--Jiang-C--Si-C--LAMMPS--ipr1 # composition = C # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 2.551989922e+02 nan 0.66 nan nan nan nan nan 1.979719557e+02 nan nan 2.271148939e+02 nan 0.68 nan nan nan nan nan 1.760094649e+02 nan nan 2.026876750e+02 nan 0.70 nan nan nan nan nan 1.568030322e+02 nan nan 1.810909184e+02 2.579671377e+02 0.72 nan 2.267103612e+02 nan nan nan 1.402647650e+02 2.332389159e+02 nan 1.619775874e+02 nan 0.74 3.178881127e+02 2.034935432e+02 nan nan nan 1.259973946e+02 2.103049338e+02 nan 1.450394793e+02 2.093100689e+02 0.76 2.864848637e+02 1.832486130e+02 nan nan nan 1.137841051e+02 1.901267207e+02 nan 1.299799709e+02 1.889862792e+02 0.78 nan nan nan nan nan 1.029989851e+02 1.720349512e+02 nan 1.167082177e+02 1.706695187e+02 0.80 nan 1.504159943e+02 2.097758719e+02 nan nan 9.327076214e+01 1.557474376e+02 nan 1.051847143e+02 1.540400348e+02 0.82 nan 1.366189524e+02 1.904208643e+02 nan nan 8.456165576e+01 1.410931685e+02 1.982845310e+02 9.507891739e+01 1.389925957e+02 0.84 1.949679166e+02 1.240289505e+02 1.737516977e+02 1.945657597e+02 1.942093173e+02 7.686981550e+01 1.279590374e+02 1.806145736e+02 8.608970192e+01 1.255130880e+02 0.86 1.779122084e+02 1.125603340e+02 1.590761252e+02 1.775931171e+02 1.772877670e+02 7.008649244e+01 1.160919212e+02 1.646805643e+02 7.810524989e+01 1.136528031e+02 0.88 1.624776266e+02 1.021807275e+02 1.457493324e+02 1.623094365e+02 1.621414078e+02 6.395309844e+01 1.052669999e+02 1.502713233e+02 7.110808145e+01 1.033187626e+02 0.90 1.484571000e+02 9.290661975e+01 1.335655102e+02 1.485095347e+02 1.485619694e+02 5.838901999e+01 9.544198874e+01 1.372738070e+02 6.496001158e+01 9.409254611e+01 0.92 1.357816326e+02 8.473866489e+01 1.224420113e+02 1.360337472e+02 1.362858619e+02 5.337102975e+01 8.663060520e+01 1.256010799e+02 5.948979952e+01 8.584199127e+01 0.94 1.244743235e+02 7.753694620e+01 1.122466846e+02 1.248121922e+02 1.251500610e+02 4.881618976e+01 7.882416820e+01 1.151260465e+02 5.457859896e+01 7.862576421e+01 0.96 1.144572647e+02 7.104911525e+01 1.028218867e+02 1.147613911e+02 1.150655174e+02 4.460588821e+01 7.195942451e+01 1.057323179e+02 5.015983053e+01 7.239612683e+01 0.98 1.053713109e+02 6.508595603e+01 9.409652498e+01 1.055936213e+02 1.058159318e+02 4.069657269e+01 6.600737465e+01 9.716404814e+01 4.615165595e+01 6.681671774e+01 1.00 9.698476289e+01 5.957054354e+01 8.603490236e+01 9.712074645e+01 9.725673001e+01 3.706581056e+01 6.082676777e+01 8.929928588e+01 4.244661893e+01 6.167019074e+01 1.02 8.926580801e+01 5.448666923e+01 7.862726369e+01 8.930915281e+01 8.935249760e+01 3.369957646e+01 5.626468045e+01 8.212567824e+01 3.900667108e+01 5.692928169e+01 1.04 8.220926451e+01 4.983522023e+01 7.189303451e+01 8.215085311e+01 8.209244172e+01 3.059443826e+01 5.215595311e+01 7.561257018e+01 3.581567408e+01 5.258424117e+01 1.06 7.580608723e+01 4.562291663e+01 6.587036181e+01 7.564190090e+01 7.547771458e+01 2.776036635e+01 4.836670352e+01 6.965656507e+01 3.286454229e+01 4.862384355e+01 1.08 6.997470253e+01 4.183086355e+01 6.057064718e+01 6.973107863e+01 6.948745474e+01 2.522151937e+01 4.487560829e+01 6.415931934e+01 3.015032581e+01 4.500052445e+01 1.10 6.456610712e+01 3.841962362e+01 5.595722154e+01 6.431778015e+01 6.406945318e+01 2.300081209e+01 4.166985002e+01 5.906181071e+01 2.766850488e+01 4.163281844e+01 1.12 5.952649967e+01 3.541192488e+01 5.196110057e+01 5.935118633e+01 5.917587299e+01 2.105661243e+01 3.871297447e+01 5.435074919e+01 2.539487748e+01 3.848700517e+01 1.14 5.485157512e+01 3.285365508e+01 4.835864012e+01 5.477413212e+01 5.469668913e+01 1.928873071e+01 3.594999745e+01 5.004198389e+01 2.329528369e+01 3.555285997e+01 1.16 5.055294522e+01 3.064372486e+01 4.499222097e+01 5.055915072e+01 5.056535622e+01 1.763260991e+01 3.335681626e+01 4.616710488e+01 2.135500972e+01 3.282657188e+01 1.18 4.666018230e+01 2.863197996e+01 4.184094064e+01 4.672786183e+01 4.679554137e+01 1.605702978e+01 3.092153077e+01 4.275791541e+01 1.956639898e+01 3.031150574e+01 1.20 4.321742626e+01 2.678926248e+01 3.889753704e+01 4.331747755e+01 4.341752884e+01 1.452887701e+01 2.863484588e+01 3.980917318e+01 1.791177999e+01 2.801690256e+01 1.22 4.026323181e+01 2.505696022e+01 3.616135188e+01 4.036020035e+01 4.045716888e+01 1.296761563e+01 2.649054439e+01 3.725854387e+01 1.636493137e+01 2.594725706e+01 1.24 3.776204896e+01 2.342347619e+01 3.364065325e+01 3.782144054e+01 3.788083191e+01 1.117959800e+01 2.448583637e+01 3.496033729e+01 1.490980875e+01 2.407318729e+01 1.26 3.548144426e+01 2.188825967e+01 3.135569685e+01 3.550656595e+01 3.553168704e+01 8.788037324e+00 2.262104323e+01 3.278522962e+01 1.352299217e+01 2.232585011e+01 1.28 3.331541451e+01 2.044367503e+01 2.933582237e+01 3.332239083e+01 3.332936659e+01 5.247531447e+00 2.089693965e+01 3.073382660e+01 1.214360904e+01 2.067157007e+01 1.30 3.127074580e+01 1.907765025e+01 2.757759455e+01 3.127065187e+01 3.127055757e+01 -5.615690183e-02 1.930677163e+01 2.879958351e+01 1.066730883e+01 1.910428850e+01 1.32 2.933950932e+01 1.778441229e+01 2.597449065e+01 2.933921906e+01 2.933892871e+01 -5.108097261e+00 1.782732532e+01 2.697613745e+01 9.096886286e+00 1.761873392e+01 1.34 2.751483709e+01 1.655874614e+01 2.443415986e+01 2.751483851e+01 2.751483993e+01 -6.056591614e+00 1.643388566e+01 2.525858995e+01 7.645778898e+00 1.621052627e+01 1.36 2.579111054e+01 1.539591202e+01 2.296969381e+01 2.579111305e+01 2.579111556e+01 -6.318074750e+00 1.511656683e+01 2.364333750e+01 6.103397747e+00 1.487564280e+01 1.38 2.416401616e+01 1.429160416e+01 2.158077929e+01 2.416402033e+01 2.416402450e+01 -6.547151706e+00 1.386320704e+01 2.212725653e+01 4.259931454e+00 1.360843723e+01 1.40 2.263041676e+01 1.324191626e+01 2.026212463e+01 2.263042438e+01 2.263043200e+01 -6.745677167e+00 1.264297222e+01 2.070561332e+01 2.075682770e+00 1.239536977e+01 1.42 2.118765651e+01 1.224331335e+01 1.900888624e+01 2.118767199e+01 2.118768747e+01 -6.914981847e+00 1.138714185e+01 1.936903407e+01 -2.331948195e-01 1.119687219e+01 1.44 1.983149300e+01 1.129243768e+01 1.781663145e+01 1.983152794e+01 1.983156288e+01 -7.056246664e+00 9.996546663e+00 1.810411664e+01 -1.980521745e+00 9.901685369e+00 1.46 1.855167170e+01 1.038527155e+01 1.668130479e+01 1.855175730e+01 1.855184290e+01 -7.170514367e+00 8.496687817e+00 1.689845133e+01 -2.594739536e+00 8.239678738e+00 1.48 1.732702305e+01 9.517659903e+00 1.559919941e+01 1.732723611e+01 1.732744916e+01 -7.258699920e+00 7.279208882e+00 1.573522409e+01 -2.819233820e+00 5.726871767e+00 1.50 1.613496690e+01 8.685614981e+00 1.456693324e+01 1.613543698e+01 1.613590707e+01 -7.321599829e+00 6.477945913e+00 1.460847776e+01 -3.033663633e+00 2.182090396e+00 1.52 1.500087015e+01 7.885210202e+00 1.358139519e+01 1.500162404e+01 1.500237792e+01 -7.359900592e+00 5.723462000e+00 1.354980732e+01 -3.249639134e+00 -1.053001681e+00 1.54 1.400160857e+01 7.112326831e+00 1.263916374e+01 1.400240973e+01 1.400321089e+01 -7.374186439e+00 4.958195931e+00 1.261079076e+01 -3.473753211e+00 -2.283010800e+00 1.56 1.309426555e+01 6.362208426e+00 1.173645755e+01 1.309499331e+01 1.309572107e+01 -7.364946554e+00 4.169159768e+00 1.175016139e+01 -3.710396773e+00 -2.596241649e+00 1.58 1.222922526e+01 5.628108207e+00 1.086954466e+01 1.222988038e+01 1.223053550e+01 -7.332581959e+00 3.341666354e+00 1.092980607e+01 -3.961401828e+00 -2.859450305e+00 1.60 1.140329681e+01 4.898739257e+00 1.003474676e+01 1.140388249e+01 1.140446818e+01 -7.277412279e+00 2.459615851e+00 1.014695802e+01 -4.225173844e+00 -3.089646178e+00 1.62 1.061447378e+01 4.157409147e+00 9.228354140e+00 1.061499345e+01 1.061551312e+01 -7.199682633e+00 1.507425377e+00 9.399759990e+00 -4.494762380e+00 -3.287159174e+00 1.64 9.860913055e+00 3.379427020e+00 8.446445841e+00 9.861370310e+00 9.861827564e+00 -7.099570935e+00 4.756818228e-01 8.686508080e+00 -4.754494643e+00 -3.452235919e+00 1.66 9.140920742e+00 2.530177355e+00 7.684585111e+00 9.141319367e+00 9.141717991e+00 -6.977195968e+00 -6.263712577e-01 8.005638739e+00 -4.979363828e+00 -3.585055401e+00 1.68 8.452939551e+00 1.569919995e+00 6.937341896e+00 8.453283498e+00 8.453627444e+00 -6.832626665e+00 -1.748312401e+00 7.355717444e+00 -5.155881070e+00 -3.685746372e+00 1.70 7.795537401e+00 4.784779734e-01 6.197583711e+00 7.795830771e+00 7.796124140e+00 -6.665893159e+00 -2.760167158e+00 6.735340195e+00 -5.311360633e+00 -3.754407021e+00 1.72 7.167397518e+00 -6.895505792e-01 5.455510055e+00 7.167644534e+00 7.167891551e+00 -6.477000315e+00 -3.442150485e+00 6.141373589e+00 -5.448932768e+00 -3.791127527e+00 1.74 6.567310237e+00 -1.757253871e+00 4.697584894e+00 6.567515216e+00 6.567720196e+00 -6.265944666e+00 -3.659343258e+00 5.569205332e+00 -5.520969779e+00 -3.796016172e+00 1.76 5.993501523e+00 -2.473891995e+00 3.905559397e+00 5.993669075e+00 5.993836628e+00 -6.033533252e+00 -3.658680771e+00 5.014385010e+00 -5.462810074e+00 -3.770784688e+00 1.78 5.441027516e+00 -2.767557021e+00 3.055350117e+00 5.441163292e+00 5.441299068e+00 -5.784279340e+00 -3.639172958e+00 4.471853369e+00 -5.277844920e+00 -3.724464166e+00 1.80 4.904383313e+00 -2.899618739e+00 2.125278092e+00 4.904493285e+00 4.904603258e+00 -5.522806599e+00 -3.614077990e+00 3.936610828e+00 -5.056162166e+00 -3.666552901e+00 1.82 4.378635253e+00 -2.956305957e+00 1.120895200e+00 4.378724940e+00 4.378814627e+00 -5.252328972e+00 -3.585965620e+00 3.403790135e+00 -4.815341264e+00 -3.604080311e+00 1.84 3.859267160e+00 -2.895614468e+00 1.215711045e-01 3.859341257e+00 3.859415354e+00 -4.974593484e+00 -3.554356048e+00 2.868296177e+00 -4.556933750e+00 -3.541447918e+00 1.86 3.341903107e+00 -2.695285523e+00 -6.891063762e-01 3.341965367e+00 3.342027627e+00 -4.689891578e+00 -3.515523849e+00 2.324493829e+00 -4.281932885e+00 -3.480288557e+00 1.88 2.821982290e+00 -2.397464283e+00 -1.149618427e+00 2.822035521e+00 2.822088752e+00 -4.397143095e+00 -3.462378056e+00 1.766185363e+00 -3.990752358e+00 -3.419307923e+00 1.90 2.294495672e+00 -2.095232363e+00 -1.401092239e+00 2.294541733e+00 2.294587793e+00 -4.094052215e+00 -3.384640946e+00 1.187399412e+00 -3.683265498e+00 -3.354090249e+00 1.92 1.754001324e+00 -1.841014856e+00 -1.635742368e+00 1.754041031e+00 1.754080738e+00 -3.777320607e+00 -3.269805145e+00 5.850297962e-01 -3.358955970e+00 -3.276896047e+00 1.94 1.195383758e+00 -1.623636271e+00 -1.859981399e+00 1.195416671e+00 1.195449583e+00 -3.442884735e+00 -3.105355908e+00 -3.500382288e-02 -3.017232265e+00 -3.176570725e+00 1.96 6.162811117e-01 -1.414884907e+00 -2.055620066e+00 6.163053917e-01 6.163296717e-01 -3.086254599e+00 -2.881325557e+00 -6.465475356e-01 -2.657984373e+00 -3.038818518e+00 1.98 2.269782893e-02 -1.201497885e+00 -2.196098637e+00 2.271101535e-02 2.272420177e-02 -2.703443533e+00 -2.592360861e+00 -1.188979911e+00 -2.282584698e+00 -2.847182924e+00 2.00 -5.606342152e-01 -9.863212344e-01 -2.246607919e+00 -5.606321352e-01 -5.606300552e-01 -2.293099457e+00 -2.242114839e+00 -1.562516896e+00 -1.894637005e+00 -2.585078599e+00 2.02 -1.076246200e+00 -7.744401183e-01 -2.168507467e+00 -1.076249597e+00 -1.076252993e+00 -1.859457746e+00 -1.842918523e+00 -1.659389547e+00 -1.501871980e+00 -2.240434114e+00 2.04 -1.426422739e+00 -5.723312963e-01 -1.932075326e+00 -1.426425320e+00 -1.426427901e+00 -1.414923834e+00 -1.412863532e+00 -1.445904220e+00 -1.118368164e+00 -1.814975332e+00 2.06 -1.497284408e+00 -3.881677737e-01 -1.539061610e+00 -1.497285425e+00 -1.497286442e+00 -9.837999962e-01 -9.837326566e-01 -1.032508285e+00 -7.629699253e-01 -1.333771810e+00 2.08 -1.238673578e+00 -2.319284000e-01 -1.045587383e+00 -1.238673408e+00 -1.238673237e+00 -5.997673575e-01 -5.997586922e-01 -6.117198131e-01 -4.583938669e-01 -8.501949371e-01 2.10 -7.602227565e-01 -1.140280484e-01 -5.630327753e-01 -7.602227322e-01 -7.602227079e-01 -2.995305396e-01 -2.995299454e-01 -2.998131857e-01 -2.266411966e-01 -4.379330433e-01 2.12 -3.079016554e-01 -4.077441100e-02 -2.121643505e-01 -3.079016554e-01 -3.079016554e-01 -1.081950685e-01 -1.081950572e-01 -1.081942692e-01 -8.138029360e-02 -1.609665932e-01 2.14 -6.491261051e-02 -8.191295096e-03 -4.350993908e-02 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