# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Al3Ti # 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 2024-04-11 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 1.324594550e+02 nan nan 1.16 1.225833158e+02 nan nan 1.18 1.134668042e+02 nan nan 1.20 1.050432368e+02 nan nan 1.22 9.725156564e+01 nan nan 1.24 9.003678781e+01 nan nan 1.26 8.335082625e+01 nan nan 1.28 7.715152837e+01 1.161540109e+02 1.321935278e+02 1.30 7.140091482e+01 1.081891843e+02 1.233427712e+02 1.32 6.606422873e+01 1.007782847e+02 1.151043627e+02 1.34 6.110936395e+01 9.387875636e+01 1.074314965e+02 1.36 5.650622933e+01 8.745119754e+01 1.002807009e+02 1.38 5.222664768e+01 8.146022072e+01 9.361041055e+01 1.40 4.824505956e+01 7.587408303e+01 8.738082561e+01 1.42 4.453919546e+01 7.066330733e+01 8.155562807e+01 1.44 4.108972685e+01 6.579932121e+01 7.610383939e+01 1.46 3.787896550e+01 6.125416248e+01 7.099993260e+01 1.48 3.488962642e+01 5.700159178e+01 6.622222851e+01 1.50 3.210454303e+01 5.301875901e+01 6.175087147e+01 1.52 2.950746738e+01 4.928697774e+01 5.756647589e+01 1.54 2.708357456e+01 4.579101789e+01 5.364982354e+01 1.56 2.482050318e+01 4.251761544e+01 4.998227477e+01 1.58 2.271206795e+01 3.945417008e+01 4.654624423e+01 1.60 2.074882902e+01 3.658804783e+01 4.332539378e+01 1.62 1.892082095e+01 3.390642088e+01 4.030457646e+01 1.64 1.721863920e+01 3.139644920e+01 3.746965991e+01 1.66 1.563353183e+01 2.904566168e+01 3.480736878e+01 1.68 1.415758380e+01 2.684200275e+01 3.230531808e+01 1.70 1.278378940e+01 2.477514902e+01 2.995239155e+01 1.72 1.150591506e+01 2.283879502e+01 2.773897436e+01 1.74 1.031820797e+01 2.102534371e+01 2.565682921e+01 1.76 9.215097541e+00 1.932653355e+01 2.370183530e+01 1.78 8.191012858e+00 1.773481446e+01 2.186988783e+01 1.80 7.240334736e+00 1.624323023e+01 2.015439061e+01 1.82 6.357428126e+00 1.484543791e+01 1.854873318e+01 1.84 5.536728121e+00 1.353573766e+01 1.704614604e+01 1.86 4.772898612e+00 1.230901046e+01 1.563966807e+01 1.88 4.061057142e+00 1.116055462e+01 1.432223691e+01 1.90 3.396983079e+00 1.008588005e+01 1.308692454e+01 1.92 2.777206256e+00 9.080533069e+00 1.192727876e+01 1.94 2.198942827e+00 8.140016659e+00 1.083763991e+01 1.96 1.659931983e+00 7.259840373e+00 9.813277760e+00 1.98 1.158258439e+00 6.435678906e+00 8.850293684e+00 2.00 6.922171761e-01 5.663564475e+00 7.945368378e+00 2.02 2.602333983e-01 4.940025939e+00 7.095493088e+00 2.04 -1.391781375e-01 4.262120280e+00 6.297787722e+00 2.06 -5.074400095e-01 3.627353765e+00 5.549436279e+00 2.08 -8.459474735e-01 3.033535656e+00 4.847711500e+00 2.10 -1.156122371e+00 2.478625189e+00 4.190033256e+00 2.12 -1.439479271e+00 1.960617421e+00 3.574010814e+00 2.14 -1.697680424e+00 1.477485417e+00 2.997442723e+00 2.16 -1.932550056e+00 1.027175419e+00 2.458274913e+00 2.18 -2.146031453e+00 6.076403110e-01 1.954535869e+00 2.20 -2.340095866e+00 2.168918649e-01 1.484275890e+00 2.22 -2.516634014e+00 -1.469487993e-01 1.045537795e+00 2.24 -2.677363206e+00 -4.856160153e-01 6.363730022e-01 2.26 -2.823769894e+00 -8.006831842e-01 2.548968170e-01 2.28 -2.957090389e+00 -1.093560389e+00 -1.006453907e-01 2.30 -3.078322411e+00 -1.365498625e+00 -4.318335921e-01 2.32 -3.188257643e+00 -1.617597392e+00 -7.400688454e-01 2.34 -3.287524929e+00 -1.850814561e+00 -1.026603739e+00 2.36 -3.376671107e+00 -2.065981999e+00 -1.292587653e+00 2.38 -3.456129093e+00 -2.263829246e+00 -1.539107509e+00 2.40 -3.526248859e+00 -2.445016325e+00 -1.767214834e+00 2.42 -3.587373318e+00 -2.610172906e+00 -1.977941207e+00 2.44 -3.639856335e+00 -2.759937757e+00 -2.172307276e+00 2.46 -3.684075650e+00 -2.894992168e+00 -2.351328647e+00 2.48 -3.720438931e+00 -3.016082057e+00 -2.516016901e+00 2.50 -3.749381001e+00 -3.124026999e+00 -2.667371847e+00 2.52 -3.771352277e+00 -3.219718242e+00 -2.806362756e+00 2.54 -3.786792502e+00 -3.304110507e+00 -2.933902646e+00 2.56 -3.796437520e+00 -3.378213466e+00 -3.050822705e+00 2.58 -3.802626556e+00 -3.443124679e+00 -3.157854382e+00 2.60 -3.805195341e+00 -3.499889193e+00 -3.255622232e+00 2.62 -3.803675181e+00 -3.549508649e+00 -3.344645872e+00 2.64 -3.797786756e+00 -3.592931896e+00 -3.425347724e+00 2.66 -3.787442525e+00 -3.630998896e+00 -3.498072553e+00 2.68 -3.772735467e+00 -3.664395761e+00 -3.563116851e+00 2.70 -3.753910105e+00 -3.693633705e+00 -3.620658586e+00 2.72 -3.731322807e+00 -3.719055926e+00 -3.670834149e+00 2.74 -3.705422599e+00 -3.740858988e+00 -3.713769005e+00 2.76 -3.676678833e+00 -3.759301663e+00 -3.749603139e+00 2.78 -3.645520770e+00 -3.774798057e+00 -3.778519493e+00 2.80 -3.612319200e+00 -3.787222636e+00 -3.800773404e+00 2.82 -3.577379487e+00 -3.797336330e+00 -3.816718858e+00 2.84 -3.540943324e+00 -3.804865155e+00 -3.826824491e+00 2.86 -3.503196112e+00 -3.809345749e+00 -3.831667560e+00 2.88 -3.464277841e+00 -3.810419597e+00 -3.833326205e+00 2.90 -3.424294977e+00 -3.807816720e+00 -3.832674458e+00 2.92 -3.383331349e+00 -3.801344814e+00 -3.829724952e+00 2.94 -3.341456686e+00 -3.790884756e+00 -3.824566312e+00 2.96 -3.298731656e+00 -3.776397945e+00 -3.817312645e+00 2.98 -3.255211036e+00 -3.757927559e+00 -3.808064772e+00 3.00 -3.210945025e+00 -3.735606492e+00 -3.796886882e+00 3.02 -3.165979839e+00 -3.709672545e+00 -3.783800088e+00 3.04 -3.120358010e+00 -3.680445254e+00 -3.768788054e+00 3.06 -3.074118628e+00 -3.648310448e+00 -3.751815938e+00 3.08 -3.027297739e+00 -3.613696655e+00 -3.732858570e+00 3.10 -2.979929141e+00 -3.577044328e+00 -3.711890089e+00 3.12 -2.932045800e+00 -3.538773111e+00 -3.688888089e+00 3.14 -2.883681972e+00 -3.499254252e+00 -3.663840263e+00 3.16 -2.834875874e+00 -3.458792286e+00 -3.636747493e+00 3.18 -2.785672467e+00 -3.417618632e+00 -3.607624548e+00 3.20 -2.736125699e+00 -3.375895008e+00 -3.576499405e+00 3.22 -2.686299584e+00 -3.333723741e+00 -3.543412152e+00 3.24 -2.636267751e+00 -3.291161227e+00 -3.508413821e+00 3.26 -2.586111569e+00 -3.248231560e+00 -3.471565878e+00 3.28 -2.535917362e+00 -3.204938459e+00 -3.432940144e+00 3.30 -2.485773369e+00 -3.161274735e+00 -3.392619060e+00 3.32 -2.435766932e+00 -3.117229309e+00 -3.350695902e+00 3.34 -2.385982037e+00 -3.072792196e+00 -3.307274524e+00 3.36 -2.336497108e+00 -3.027958018e+00 -3.262468427e+00 3.38 -2.287382824e+00 -2.982728520e+00 -3.216399315e+00 3.40 -2.238700178e+00 -2.937114431e+00 -3.169195713e+00 3.42 -2.190498933e+00 -2.891136958e+00 -3.120992386e+00 3.44 -2.142817250e+00 -2.844828728e+00 -3.071931047e+00 3.46 -2.095681685e+00 -2.798234479e+00 -3.022162208e+00 3.48 -2.049108872e+00 -2.751411123e+00 -2.971847312e+00 3.50 -2.003107449e+00 -2.704427113e+00 -2.921159725e+00 3.52 -1.957680296e+00 -2.657360933e+00 -2.870283753e+00 3.54 -1.912826472e+00 -2.610298610e+00 -2.819409893e+00 3.56 -1.868542745e+00 -2.563330273e+00 -2.768728012e+00 3.58 -1.824824450e+00 -2.516546025e+00 -2.718418380e+00 3.60 -1.781665742e+00 -2.470031595e+00 -2.668642649e+00 3.62 -1.739059312e+00 -2.423864366e+00 -2.619536331e+00 3.64 -1.696995724e+00 -2.378110306e+00 -2.571203953e+00 3.66 -1.655462514e+00 -2.332822155e+00 -2.523717356e+00 3.68 -1.614443213e+00 -2.288038882e+00 -2.477116908e+00 3.70 -1.573916420e+00 -2.243786211e+00 -2.431414876e+00 3.72 -1.533855047e+00 -2.200077838e+00 -2.386600062e+00 3.74 -1.494225835e+00 -2.156916973e+00 -2.342642829e+00 3.76 -1.454989232e+00 -2.114297930e+00 -2.299499919e+00 3.78 -1.416099713e+00 -2.072207599e+00 -2.257118689e+00 3.80 -1.377506629e+00 -2.030626753e+00 -2.215440684e+00 3.82 -1.339155656e+00 -1.989531204e+00 -2.174404582e+00 3.84 -1.300990907e+00 -1.948892859e+00 -2.133948638e+00 3.86 -1.262957755e+00 -1.908680717e+00 -2.094012781e+00 3.88 -1.225006340e+00 -1.868861839e+00 -2.054540468e+00 3.90 -1.187095695e+00 -1.829402281e+00 -2.015480353e+00 3.92 -1.149198267e+00 -1.790267941e+00 -1.976787724e+00 3.94 -1.111304691e+00 -1.751425463e+00 -1.938425958e+00 3.96 -1.073427958e+00 -1.712842702e+00 -1.900367210e+00 3.98 -1.035606964e+00 -1.674489366e+00 -1.862593252e+00 4.00 -9.979083675e-01 -1.636337349e+00 -1.825095631e+00 4.02 -9.604263239e-01 -1.598360998e+00 -1.787875447e+00 4.04 -9.232796182e-01 -1.560537352e+00 -1.750942656e+00 4.06 -8.866060482e-01 -1.522846442e+00 -1.714314937e+00 4.08 -8.505543473e-01 -1.485271749e+00 -1.678016166e+00 4.10 -8.152743783e-01 -1.447800839e+00 -1.642074579e+00 4.12 -7.809067102e-01 -1.410426752e+00 -1.606520753e+00 4.14 -7.475728708e-01 -1.373148819e+00 -1.571385557e+00 4.16 -7.153674995e-01 -1.335974716e+00 -1.536698251e+00 4.18 -6.843533126e-01 -1.298922190e+00 -1.502484876e+00 4.20 -6.545592999e-01 -1.262020836e+00 -1.468767055e+00 4.22 -6.259822028e-01 -1.225313552e+00 -1.435561257e+00 4.24 -5.985904802e-01 -1.188857345e+00 -1.402878508e+00 4.26 -5.723304126e-01 -1.152723151e+00 -1.370724461e+00 4.28 -5.471331730e-01 -1.116994435e+00 -1.339099744e+00 4.30 -5.229221900e-01 -1.081764432e+00 -1.308000454e+00 4.32 -4.996201093e-01 -1.047132101e+00 -1.277418704e+00 4.34 -4.771548489e-01 -1.013197079e+00 -1.247343150e+00 4.36 -4.554643620e-01 -9.800540962e-01 -1.217759456e+00 4.38 -4.345001252e-01 -9.477874582e-01 -1.188650649e+00 4.40 -4.142286452e-01 -9.164661887e-01 -1.159997388e+00 4.42 -3.946318080e-01 -8.861403460e-01 -1.131778119e+00 4.44 -3.757055258e-01 -8.568388303e-01 -1.103969151e+00 4.46 -3.574571569e-01 -8.285687739e-01 -1.076544657e+00 4.48 -3.399019705e-01 -8.013163851e-01 -1.049476622e+00 4.50 -3.230590630e-01 -7.750489545e-01 -1.022734768e+00 4.52 -3.069471525e-01 -7.497176492e-01 -9.962863601e-01 4.54 -2.915808761e-01 -7.252607053e-01 -9.700965767e-01 4.56 -2.769675053e-01 -7.016066886e-01 -9.441278140e-01 4.58 -2.631049575e-01 -6.786775720e-01 -9.183402194e-01 4.60 -2.499807191e-01 -6.563914807e-01 -8.926917334e-01 4.62 -2.375718365e-01 -6.346650436e-01 -8.671383973e-01 4.64 -2.258457836e-01 -6.134153606e-01 -8.416348347e-01 4.66 -2.147619780e-01 -5.925616456e-01 -8.161349428e-01 4.68 -2.042736962e-01 -5.720266309e-01 -7.905928256e-01 4.70 -1.943301606e-01 -5.517378290e-01 -7.649639996e-01 4.72 -1.848786090e-01 -5.316287420e-01 -7.392068917e-01 4.74 -1.758662174e-01 -5.116400923e-01 -7.132846349e-01 4.76 -1.672417964e-01 -4.917211204e-01 -6.871671466e-01 4.78 -1.589572267e-01 -4.718309682e-01 -6.608334397e-01 4.80 -1.509686224e-01 -4.519400661e-01 -6.342740844e-01 4.82 -1.432372397e-01 -4.320318061e-01 -6.074936865e-01 4.84 -1.357301387e-01 -4.121035141e-01 -5.805132070e-01 4.86 -1.284204741e-01 -3.921677884e-01 -5.533719026e-01 4.88 -1.212878316e-01 -3.722531070e-01 -5.261286389e-01 4.90 -1.143185808e-01 -3.524039113e-01 -4.988623257e-01 4.92 -1.075051337e-01 -3.326799447e-01 -4.716712509e-01 4.94 -1.008455228e-01 -3.131547306e-01 -4.446711609e-01 4.96 -9.434277405e-02 -2.939131511e-01 -4.179920422e-01 4.98 -8.800409468e-02 -2.750481813e-01 -3.917736987e-01 5.00 -8.183993221e-02 -2.566569393e-01 -3.661603647e-01 5.02 -7.586297128e-02 -2.388363109e-01 -3.412947314e-01 5.04 -7.008713829e-02 -2.216784794e-01 -3.173118574e-01 5.06 -6.452668027e-02 -2.052667211e-01 -2.943334689e-01 5.08 -5.919536685e-02 -1.896718073e-01 -2.724631174e-01 5.10 -5.410586083e-02 -1.749492855e-01 -2.517825630e-01 5.12 -4.926923715e-02 -1.611378105e-01 -2.323496028e-01 5.14 -4.469464810e-02 -1.482585727e-01 -2.141973989e-01 5.16 -4.038910763e-02 -1.363157577e-01 -1.973352017e-01 5.18 -3.635734379e-02 -1.252978753e-01 -1.817502421e-01 5.20 -3.260170378e-02 -1.151797359e-01 -1.674104898e-01 5.22 -2.912210869e-02 -1.059248302e-01 -1.542679469e-01 5.24 -2.591602360e-02 -9.748787799e-02 -1.422621625e-01 5.26 -2.297846888e-02 -8.981735255e-02 -1.313237010e-01 5.28 -2.030192916e-02 -8.285780851e-02 -1.213773617e-01 5.30 -1.787628828e-02 -7.655192913e-02 -1.123450128e-01 5.32 -1.569035738e-02 -7.084223166e-02 -1.041479704e-01 5.34 -1.373118939e-02 -6.567243946e-02 -9.670890142e-02 5.36 -1.198437280e-02 -6.098850393e-02 -8.995326748e-02 5.38 -1.043448587e-02 -5.673910509e-02 -8.381035942e-02 5.40 -9.065548786e-03 -5.287634215e-02 -7.821397763e-02 5.42 -7.861446712e-03 -4.935646082e-02 -7.310281686e-02 5.44 -6.806302748e-03 -4.613941773e-02 -6.842041952e-02 5.46 -5.884786761e-03 -4.318876595e-02 -6.411567645e-02 5.48 -5.082354071e-03 -4.047159956e-02 -6.014250718e-02 5.50 -4.385414565e-03 -3.795842474e-02 -5.645949335e-02 5.52 -3.781437935e-03 -3.562298896e-02 -5.302967388e-02 5.54 -3.259003846e-03 -3.344209180e-02 -4.982028128e-02 5.56 -2.807807358e-03 -3.139539428e-02 -4.680262544e-02 5.58 -2.418630090e-03 -2.946523588e-02 -4.395166974e-02 5.60 -2.083286797e-03 -2.763646374e-02 -4.124594946e-02 5.62 -1.794555778e-03 -2.589628105e-02 -3.866733508e-02 5.64 -1.546100002e-03 -2.423410608e-02 -3.620085398e-02 5.66 -1.332384335e-03 -2.264143847e-02 -3.383451530e-02 5.68 -1.148592846e-03 -2.111172560e-02 -3.155913107e-02 5.70 -9.905489992e-04 -1.964022066e-02 -2.936812163e-02 5.72 -8.546405739e-04 -1.822382405e-02 -2.725729346e-02 5.74 -7.377503847e-04 -1.686090130e-02 -2.522457922e-02 5.76 -6.371933201e-04 -1.555107302e-02 -2.326973404e-02 5.78 -5.506598197e-04 -1.429489084e-02 -2.139394928e-02 5.80 -4.761656221e-04 -1.309358841e-02 -1.959922303e-02 5.82 -4.120074346e-04 -1.194912399e-02 -1.788862146e-02 5.84 -3.567240857e-04 -1.086365182e-02 -1.626556102e-02 5.86 -3.090626612e-04 -9.839244603e-03 -1.473330485e-02 5.88 -2.679491086e-04 -8.877657049e-03 -1.329461324e-02 5.90 -2.324628120e-04 -7.980133087e-03 -1.195145886e-02 5.92 -2.018146656e-04 -7.147266917e-03 -1.070482195e-02 5.94 -1.753282079e-04 -6.378922575e-03 -9.554572649e-03 5.96 -1.524234179e-04 -5.674211167e-03 -8.499439405e-03 5.98 -1.326028208e-04 -5.031519829e-03 -7.537054506e-03 6.00 -1.154395866e-04 -4.448582663e-03 -6.664062241e-03