# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Miraz-A-S-M-Dhariwal-N-Meng-W-J-et-al--Cu-N-Ti # implementation = 2020--Miraz-A-S-M--Cu-N-Ti--LAMMPS--ipr1 # composition = Ti # 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 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 nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan 4.700638525e+02 nan nan nan nan 0.80 nan nan nan nan nan 4.301719739e+02 nan nan nan nan 0.82 nan nan nan nan nan 3.941209846e+02 nan nan 4.312910682e+02 nan 0.84 nan nan nan nan nan 3.614889611e+02 nan nan 3.921863433e+02 nan 0.86 nan nan nan nan nan 3.319068269e+02 nan nan 3.567019888e+02 nan 0.88 nan nan nan nan nan 3.050508582e+02 nan nan 3.245723835e+02 nan 0.90 nan 5.557967023e+02 nan nan nan 2.806363789e+02 nan nan 2.955251122e+02 4.249597036e+02 0.92 nan 5.014409088e+02 nan nan nan 2.584124204e+02 4.253919374e+02 nan 2.692910636e+02 3.915531001e+02 0.94 nan 4.521206318e+02 nan nan nan 2.380880089e+02 3.889502238e+02 nan 2.455592486e+02 3.610006603e+02 0.96 nan 4.072620090e+02 nan nan nan 2.186797965e+02 3.548358464e+02 nan 2.234946384e+02 3.318267145e+02 0.98 nan 3.665769236e+02 5.269250720e+02 nan nan 2.001185516e+02 3.229268588e+02 nan 2.029479261e+02 3.039268507e+02 1.00 nan 3.298372157e+02 4.797362216e+02 nan 5.661346056e+02 1.825772324e+02 2.933220708e+02 5.166079974e+02 1.839548366e+02 2.775600175e+02 1.02 5.166870913e+02 2.967753435e+02 4.360890867e+02 5.166820911e+02 5.166770910e+02 1.661561181e+02 2.660350222e+02 4.698745396e+02 1.665020307e+02 2.528762146e+02 1.04 4.707306477e+02 2.671044499e+02 3.959551335e+02 4.707256202e+02 4.707205927e+02 1.509013368e+02 2.410189315e+02 4.267806173e+02 1.505421866e+02 2.299442762e+02 1.06 4.282941043e+02 2.405326405e+02 3.592297495e+02 4.282890494e+02 4.282839945e+02 1.368191912e+02 2.181856045e+02 3.872559484e+02 1.360053122e+02 2.087733516e+02 1.08 3.893103182e+02 2.167729331e+02 3.257569546e+02 3.893052360e+02 3.893001538e+02 1.238873083e+02 1.974197753e+02 3.511657972e+02 1.228072414e+02 1.893296232e+02 1.10 3.536520557e+02 1.955499609e+02 2.953481602e+02 3.536469461e+02 3.536418365e+02 1.120632847e+02 1.785898983e+02 3.183327483e+02 1.108559590e+02 1.715492678e+02 1.12 3.211519379e+02 1.766042438e+02 2.677962457e+02 3.211468010e+02 3.211416640e+02 1.012913351e+02 1.615561649e+02 2.885532265e+02 1.000562362e+02 1.553484236e+02 1.14 2.916176636e+02 1.596946718e+02 2.428859920e+02 2.916124994e+02 2.916073351e+02 9.150736695e+01 1.461763713e+02 2.616098939e+02 9.031296942e+01 1.406307961e+02 1.16 2.648435082e+02 1.445996822e+02 2.204016836e+02 2.648383165e+02 2.648331249e+02 8.264281292e+01 1.323101283e+02 2.372808231e+02 8.153352487e+01 1.272934036e+02 1.18 2.406188823e+02 1.311175063e+02 2.001325152e+02 2.406136634e+02 2.406084444e+02 7.462748420e+01 1.198217923e+02 2.153461510e+02 7.362932568e+01 1.152308523e+02 1.20 2.187345960e+02 1.190657661e+02 1.818763137e+02 2.187293497e+02 2.187241035e+02 6.739165826e+01 1.085824244e+02 1.955927810e+02 6.651686644e+01 1.043384647e+02 1.22 1.989873255e+02 1.082806350e+02 1.654419717e+02 1.989820520e+02 1.989767785e+02 6.086756799e+01 9.847101107e+01 1.778175809e+02 6.011830011e+01 9.451451075e+01 1.24 1.811826912e+02 9.861572163e+01 1.506509080e+02 1.811773904e+02 1.811720897e+02 5.499042754e+01 8.937513328e+01 1.618294282e+02 5.436170859e+01 8.566174401e+01 1.26 1.651372644e+02 8.994079473e+01 1.373377992e+02 1.651319364e+02 1.651266085e+02 4.969910132e+01 8.119122852e+01 1.474503846e+02 4.918114441e+01 7.768840320e+01 1.28 1.506797559e+02 8.214043583e+01 1.253507748e+02 1.506744008e+02 1.506690456e+02 4.493650021e+01 7.382455643e+01 1.345162179e+02 4.451650891e+01 7.050880475e+01 1.30 1.376515926e+02 7.511267980e+01 1.145512277e+02 1.376462103e+02 1.376408280e+02 4.064977365e+01 6.718895671e+01 1.228764456e+02 4.031331979e+01 6.404362967e+01 1.32 1.259070341e+02 6.876768778e+01 1.048133531e+02 1.259016247e+02 1.258962153e+02 3.679034868e+01 6.120646413e+01 1.123940340e+02 3.652240496e+01 5.821998083e+01 1.34 1.153129583e+02 6.302647961e+01 9.602350449e+01 1.153075218e+02 1.153020854e+02 3.331385835e+01 5.580683181e+01 1.029448567e+02 3.309955273e+01 5.297127474e+01 1.36 1.057484145e+02 5.781974584e+01 8.807943895e+01 1.057429510e+02 1.057374876e+02 3.017999275e+01 5.092700220e+01 9.441699503e+01 3.000514058e+01 4.823701730e+01 1.38 9.710401360e+01 5.308674765e+01 8.088949596e+01 9.709852319e+01 9.709303278e+01 2.735229582e+01 4.651055189e+01 8.670994086e+01 2.720375678e+01 4.396249834e+01 1.40 8.928122009e+01 4.877431104e+01 7.437175366e+01 8.927570280e+01 8.927018550e+01 2.479792930e+01 4.250713334e+01 7.973374832e+01 2.466382773e+01 4.009843707e+01 1.42 8.219158756e+01 4.483591476e+01 6.845318798e+01 8.218604344e+01 8.218049931e+01 2.248741790e+01 3.887192753e+01 7.340816953e+01 2.235725838e+01 3.660059943e+01 1.44 7.575596881e+01 4.123086987e+01 6.306885304e+01 7.575039793e+01 7.574482705e+01 2.039438604e+01 3.556511736e+01 6.766179898e+01 2.025909041e+01 3.342940282e+01 1.46 6.990373014e+01 3.792358689e+01 5.816109949e+01 6.989813257e+01 6.989253501e+01 1.849529588e+01 3.255138999e+01 6.243124609e+01 1.834718261e+01 3.054952292e+01 1.48 6.457198350e+01 3.488292469e+01 5.367883718e+01 6.456635933e+01 6.456073516e+01 1.676919146e+01 2.979947130e+01 5.766034652e+01 1.660191425e+01 2.792950964e+01 1.50 5.970485024e+01 3.208161516e+01 4.957684781e+01 5.969919955e+01 5.969354885e+01 1.519745320e+01 2.728169485e+01 5.329942061e+01 1.500591235e+01 2.554141868e+01 1.52 5.525276654e+01 2.949575703e+01 4.581515178e+01 5.524708941e+01 5.524141228e+01 1.376356644e+01 2.497360672e+01 4.930458479e+01 1.354380325e+01 2.336046423e+01 1.54 5.117183261e+01 2.710437245e+01 4.235842729e+01 5.116612914e+01 5.116042566e+01 1.245290447e+01 2.285360500e+01 4.563711655e+01 1.220198695e+01 2.136469334e+01 1.56 4.742321049e+01 2.488901967e+01 3.917548245e+01 4.741748077e+01 4.741175104e+01 1.125252780e+01 2.090261328e+01 4.226287384e+01 1.096843371e+01 1.953468479e+01 1.58 4.397257131e+01 2.283345626e+01 3.623877841e+01 4.396681544e+01 4.396105958e+01 1.015099995e+01 1.910378680e+01 3.915176793e+01 9.832501611e+00 1.785327258e+01 1.60 4.078958978e+01 2.092334666e+01 3.352399971e+01 4.078380788e+01 4.077802598e+01 9.138218916e+00 1.744224851e+01 3.627728710e+01 8.784773165e+00 1.630529314e+01 1.62 3.784748640e+01 1.914600914e+01 3.100967017e+01 3.784167858e+01 3.783587076e+01 8.205264561e+00 1.590485364e+01 3.361606918e+01 7.816909951e+00 1.487735634e+01 1.64 3.512261437e+01 1.749019732e+01 2.867681038e+01 3.511678075e+01 3.511094713e+01 7.344260957e+00 1.447998033e+01 3.114751919e+01 6.921523545e+00 1.355763873e+01 1.66 3.259408806e+01 1.594591175e+01 2.650863315e+01 3.258822877e+01 3.258236948e+01 6.548252519e+00 1.315734371e+01 2.885346877e+01 6.092061080e+00 1.233569771e+01 1.68 3.024345152e+01 1.450423788e+01 2.449027427e+01 3.023756669e+01 3.023168185e+01 5.811093514e+00 1.192783191e+01 2.671787447e+01 5.322704362e+00 1.120230572e+01 1.70 2.805438287e+01 1.315720673e+01 2.260855476e+01 2.804847262e+01 2.804256238e+01 5.127349525e+00 1.078336130e+01 2.472655108e+01 4.608280881e+00 1.014930245e+01 1.72 2.601243187e+01 1.189767529e+01 2.085177151e+01 2.600649636e+01 2.600056085e+01 4.492209986e+00 9.716749259e+00 2.286693661e+01 3.944185539e+00 9.169463610e+00 1.74 2.410478831e+01 1.071922381e+01 1.920951384e+01 2.409882768e+01 2.409286706e+01 3.901410956e+00 8.721602690e+00 2.112788613e+01 3.326312038e+00 8.256385086e+00 1.76 2.232007730e+01 9.616067813e+00 1.767250251e+01 2.231409171e+01 2.230810612e+01 3.351166907e+00 7.792220281e+00 1.949949117e+01 2.750992654e+00 7.404380607e+00 1.78 2.064817954e+01 8.582982384e+00 1.623244923e+01 2.064216915e+01 2.063615877e+01 2.838110803e+00 6.923507159e+00 1.797292206e+01 2.214945553e+00 6.608391850e+00 1.80 1.908007386e+01 7.615237309e+00 1.488193417e+01 1.907403884e+01 1.906800383e+01 2.359241614e+00 6.110900491e+00 1.654029062e+01 1.715228756e+00 5.863909700e+00 1.82 1.760769921e+01 6.708541160e+00 1.361429909e+01 1.760163973e+01 1.759558026e+01 1.911878318e+00 5.350304382e+00 1.519453073e+01 1.249199857e+00 5.166905241e+00 1.84 1.622383445e+01 5.858993176e+00 1.242355461e+01 1.621775071e+01 1.621166696e+01 1.493619836e+00 4.638028171e+00 1.392929480e+01 8.144808853e-01 4.513769648e+00 1.86 1.492199373e+01 5.063040894e+00 1.130429962e+01 1.491588589e+01 1.490977806e+01 1.102310139e+00 3.970727767e+00 1.273886414e+01 4.089256901e-01 3.901261837e+00 1.88 1.369633529e+01 4.317429947e+00 1.025165128e+01 1.369020356e+01 1.368407184e+01 7.360078794e-01 3.345362712e+00 1.161807145e+01 3.058223485e-02 3.326462904e+00 1.90 1.254158267e+01 3.619154190e+00 9.261184463e+00 1.253542725e+01 1.252927184e+01 3.929601047e-01 2.759161082e+00 1.056223390e+01 -3.223358207e-01 2.786736682e+00 1.92 1.145295625e+01 2.965429472e+00 8.328879131e+00 1.144677735e+01 1.144059846e+01 7.157944928e-02 2.209589050e+00 9.567095431e+00 -6.514676473e-01 2.279695521e+00 1.94 1.042611406e+01 2.353673671e+00 7.451074776e+00 1.041991190e+01 1.041370974e+01 -2.295755991e-01 1.694324516e+00 8.628777035e+00 -9.583210973e-01 1.803170684e+00 1.96 9.457100677e+00 1.781489209e+00 6.624430921e+00 9.450875479e+00 9.444650280e+00 -5.118177267e-01 1.211234302e+00 7.743733930e+00 -1.244286482e+00 1.355186790e+00 1.98 8.542303037e+00 1.246647671e+00 5.845890503e+00 8.536055031e+00 8.529807025e+00 -7.763455306e-01 7.583543683e-01 6.908718643e+00 -1.510648583e+00 9.339397066e-01 2.00 7.678412273e+00 7.470762102e-01 5.112637311e+00 7.672141700e+00 7.665871127e+00 -1.024256231e+00 3.338726609e-01 6.120749214e+00 -1.758597109e+00 5.377774711e-01 2.02 6.862390830e+00 2.808454730e-01 4.422064157e+00 6.856097938e+00 6.849805046e+00 -1.256556636e+00 -6.388575379e-02 5.377081785e+00 -1.989235794e+00 1.651838383e-01 2.04 6.091443984e+00 -1.538425180e-01 3.771752341e+00 6.085129029e+00 6.078814073e+00 -1.474172633e+00 -4.364716452e-01 4.675186890e+00 -2.203590357e+00 -1.852359660e-01 2.06 5.362995262e+00 -5.586769808e-01 3.159454128e+00 5.356658506e+00 5.350321751e+00 -1.677957381e+00 -7.853228917e-01 4.012728945e+00 -2.402615452e+00 -5.147675384e-01 2.08 4.674665161e+00 -9.352575944e-01 2.583077465e+00 4.668306879e+00 4.661948597e+00 -1.868698403e+00 -1.111774336e+00 3.387548454e+00 -2.587200749e+00 -8.245979422e-01 2.10 4.024252659e+00 -1.285100712e+00 2.040672602e+00 4.017873131e+00 4.011493602e+00 -2.047123751e+00 -1.417066442e+00 2.797646500e+00 -2.758176295e+00 -1.115824961e+00 2.12 3.409719161e+00 -1.609644040e+00 1.530420393e+00 3.403318675e+00 3.396918190e+00 -2.213907352e+00 -1.702352902e+00 2.241171190e+00 -2.916317223e+00 -1.389465125e+00 2.14 2.829174475e+00 -1.910250957e+00 1.050621979e+00 2.822753331e+00 2.816332188e+00 -2.369673682e+00 -1.968707417e+00 1.716405733e+00 -3.062347930e+00 -1.646460728e+00 2.16 2.280864520e+00 -2.188214502e+00 5.996896685e-01 2.274423025e+00 2.267981531e+00 -2.515001867e+00 -2.217131404e+00 1.221757912e+00 -3.196945788e+00 -1.887685982e+00 2.18 1.763160525e+00 -2.444761077e+00 1.761388546e-01 1.756698996e+00 1.750237467e+00 -2.650429278e+00 -2.448563592e+00 7.557507255e-01 -3.320744454e+00 -2.113952415e+00 2.20 1.274549450e+00 -2.681053895e+00 -2.214192221e-01 1.268068213e+00 1.261586976e+00 -2.776454727e+00 -2.663885454e+00 3.170139399e-01 -3.434336851e+00 -2.326013666e+00 2.22 8.136254619e-01 -2.898196203e+00 -5.942839686e-01 8.071248514e-01 8.006242408e-01 -2.893541300e+00 -2.863924873e+00 -9.572857870e-02 -3.538277855e+00 -2.524569753e+00 2.24 3.790823082e-01 -3.097234300e+00 -9.436713027e-01 3.725626695e-01 3.660430308e-01 -3.002118909e+00 -3.049459480e+00 -4.836810586e-01 -3.633086733e+00 -2.710270886e+00 2.26 -3.029358883e-02 -3.279160379e+00 -1.270719005e+00 -3.683190091e-02 -4.337021299e-02 -3.102586582e+00 -3.221219700e+00 -8.479853735e-01 -3.719249381e+00 -2.883720922e+00 2.28 -4.156316814e-01 -3.444915489e+00 -1.576493134e+00 -4.221883020e-01 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