# 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 = CuTa3 # 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 3.548957749e+02 nan nan 1.16 3.264403974e+02 nan nan 1.18 3.002934231e+02 nan nan 1.20 2.762579762e+02 nan nan 1.22 2.541605151e+02 nan nan 1.24 2.338426181e+02 nan nan 1.26 2.151548707e+02 nan nan 1.28 1.979554452e+02 3.072991638e+02 3.525866136e+02 1.30 1.821121281e+02 2.845756635e+02 3.272434444e+02 1.32 1.675047200e+02 2.635534712e+02 3.037674891e+02 1.34 1.540256708e+02 2.441003769e+02 2.820053299e+02 1.36 1.415789791e+02 2.260940486e+02 2.618193327e+02 1.38 1.300784718e+02 2.094206878e+02 2.430855991e+02 1.40 1.194462290e+02 1.939748291e+02 2.256906840e+02 1.42 1.096114575e+02 1.796593306e+02 2.095289621e+02 1.44 1.005099755e+02 1.663845648e+02 1.945016775e+02 1.46 9.208409190e+01 1.540668846e+02 1.805176038e+02 1.48 8.428230521e+01 1.426272736e+02 1.674943182e+02 1.50 7.705846525e+01 1.319910189e+02 1.553588358e+02 1.52 7.037058747e+01 1.220885417e+02 1.440469148e+02 1.54 6.417976687e+01 1.128567740e+02 1.335013295e+02 1.56 5.844947435e+01 1.042402181e+02 1.236700168e+02 1.58 5.314523481e+01 9.619116530e+01 1.145048110e+02 1.60 4.823452605e+01 8.866907243e+01 1.059608520e+02 1.62 4.368673019e+01 8.163941026e+01 9.799630303e+01 1.64 3.947307141e+01 7.507232560e+01 9.057199161e+01 1.66 3.556661122e+01 6.894138387e+01 8.365085594e+01 1.68 3.194241144e+01 6.322254577e+01 7.719737333e+01 1.70 2.857785688e+01 5.789339803e+01 7.117725877e+01 1.72 2.545296957e+01 5.293256820e+01 6.555761435e+01 1.74 2.255050324e+01 4.831926038e+01 6.030746691e+01 1.76 1.985987297e+01 4.403291562e+01 5.539842374e+01 1.78 1.738008607e+01 4.005304829e+01 5.080514108e+01 1.80 1.509908092e+01 3.635929094e+01 4.650543991e+01 1.82 1.300489108e+01 3.293160964e+01 4.248009261e+01 1.84 1.108610090e+01 2.975059144e+01 3.871241212e+01 1.86 9.331618176e+00 2.679769813e+01 3.518776659e+01 1.88 7.730515215e+00 2.405542524e+01 3.189308181e+01 1.90 6.272040566e+00 2.150736301e+01 2.881635551e+01 1.92 4.945701818e+00 1.914293562e+01 2.594621247e+01 1.94 3.741369648e+00 1.695673609e+01 2.327154742e+01 1.96 2.649363028e+00 1.493653078e+01 2.078140643e+01 1.98 1.660486549e+00 1.306914318e+01 1.847314274e+01 2.00 7.660079413e-01 1.134229809e+01 1.634024997e+01 2.02 -4.240877861e-02 9.744764895e+00 1.437083512e+01 2.04 -7.727712786e-01 8.266369103e+00 1.255352661e+01 2.06 -1.432776810e+00 6.898036673e+00 1.087758902e+01 2.08 -2.029751534e+00 5.631781225e+00 9.333053001e+00 2.10 -2.570523309e+00 4.460614760e+00 7.910633039e+00 2.12 -3.061272834e+00 3.378399299e+00 6.601592262e+00 2.14 -3.507415751e+00 2.379675664e+00 5.397583360e+00 2.16 -3.913551909e+00 1.459502848e+00 4.290502656e+00 2.18 -4.283491286e+00 6.133255536e-01 3.272403148e+00 2.20 -4.620342890e+00 -1.631288173e-01 2.335501166e+00 2.22 -4.926640409e+00 -8.739315861e-01 1.472287200e+00 2.24 -5.204476947e+00 -1.523021922e+00 6.757173765e-01 2.26 -5.455628089e+00 -2.114269177e+00 -6.056971559e-02 2.28 -5.681652621e+00 -2.651527457e+00 -7.420791541e-01 2.30 -5.883968766e+00 -3.138674348e+00 -1.373382267e+00 2.32 -6.063908337e+00 -3.579621048e+00 -1.958153510e+00 2.34 -6.222752666e+00 -3.978282846e+00 -2.499301834e+00 2.36 -6.361754297e+00 -4.338508687e+00 -2.999154075e+00 2.38 -6.482148320e+00 -4.663982703e+00 -3.459645250e+00 2.40 -6.585156679e+00 -4.958121480e+00 -3.882482451e+00 2.42 -6.671965359e+00 -5.223992311e+00 -4.269265766e+00 2.44 -6.743496394e+00 -5.464269444e+00 -4.621564468e+00 2.46 -6.801065784e+00 -5.681232592e+00 -4.940956187e+00 2.48 -6.846056556e+00 -5.876800652e+00 -5.229040719e+00 2.50 -6.879750992e+00 -6.052587358e+00 -5.487439767e+00 2.52 -6.903317004e+00 -6.209964897e+00 -5.717790880e+00 2.54 -6.917796846e+00 -6.350124479e+00 -5.921740052e+00 2.56 -6.924100620e+00 -6.474127345e+00 -6.100934289e+00 2.58 -6.923004480e+00 -6.582943778e+00 -6.257014098e+00 2.60 -6.914944900e+00 -6.677480549e+00 -6.391606139e+00 2.62 -6.899796994e+00 -6.758559120e+00 -6.506317258e+00 2.64 -6.877394765e+00 -6.826859275e+00 -6.602731026e+00 2.66 -6.847606046e+00 -6.883273884e+00 -6.682406314e+00 2.68 -6.810329455e+00 -6.928657074e+00 -6.746875212e+00 2.70 -6.765496104e+00 -6.963917984e+00 -6.797636496e+00 2.72 -6.713072937e+00 -6.989898886e+00 -6.835998344e+00 2.74 -6.653064825e+00 -7.007364552e+00 -6.863206413e+00 2.76 -6.585513381e+00 -7.016997594e+00 -6.880843633e+00 2.78 -6.510491595e+00 -7.019396216e+00 -6.890336922e+00 2.80 -6.428110405e+00 -7.015035699e+00 -6.892928466e+00 2.82 -6.338669561e+00 -7.004058998e+00 -6.889673079e+00 2.84 -6.242164548e+00 -6.986495835e+00 -6.881447294e+00 2.86 -6.138505498e+00 -6.962312575e+00 -6.868967940e+00 2.88 -6.027621326e+00 -6.931442580e+00 -6.852784964e+00 2.90 -5.909456819e+00 -6.893880583e+00 -6.832972795e+00 2.92 -5.783979006e+00 -6.849684546e+00 -6.809385815e+00 2.94 -5.651192954e+00 -6.798970799e+00 -6.781954391e+00 2.96 -5.511165817e+00 -6.741905933e+00 -6.750674323e+00 2.98 -5.364064585e+00 -6.678696007e+00 -6.715592666e+00 3.00 -5.210203755e+00 -6.609574110e+00 -6.676795315e+00 3.02 -5.050055190e+00 -6.534787635e+00 -6.634395926e+00 3.04 -4.884267783e+00 -6.454586622e+00 -6.588525866e+00 3.06 -4.713680694e+00 -6.369265391e+00 -6.539324936e+00 3.08 -4.539319753e+00 -6.279227889e+00 -6.486932684e+00 3.10 -4.362373961e+00 -6.184519135e+00 -6.431480194e+00 3.12 -4.184151583e+00 -6.085151010e+00 -6.373082344e+00 3.14 -4.006018716e+00 -5.981151286e+00 -6.311870145e+00 3.16 -3.829326606e+00 -5.872570008e+00 -6.248060186e+00 3.18 -3.655336673e+00 -5.759489523e+00 -6.181555883e+00 3.20 -3.485153199e+00 -5.642036789e+00 -6.112209504e+00 3.22 -3.319672578e+00 -5.520399136e+00 -6.039863330e+00 3.24 -3.159555168e+00 -5.394860960e+00 -5.964350237e+00 3.26 -3.005221756e+00 -5.265793356e+00 -5.885497112e+00 3.28 -2.856872627e+00 -5.133637417e+00 -5.803130519e+00 3.30 -2.714524041e+00 -4.998896943e+00 -5.717083734e+00 3.32 -2.578055104e+00 -4.862123293e+00 -5.627204608e+00 3.34 -2.447257661e+00 -4.723893026e+00 -5.533374816e+00 3.36 -2.321882677e+00 -4.584780514e+00 -5.435511389e+00 3.38 -2.201678147e+00 -4.445328694e+00 -5.333556355e+00 3.40 -2.086415558e+00 -4.306021452e+00 -5.227476539e+00 3.42 -1.975903898e+00 -4.167260884e+00 -5.117261471e+00 3.44 -1.869992031e+00 -4.029351777e+00 -5.002919317e+00 3.46 -1.768561707e+00 -3.892494499e+00 -4.884471719e+00 3.48 -1.671514394e+00 -3.756786262e+00 -4.761948544e+00 3.50 -1.578755504e+00 -3.622229768e+00 -4.635383585e+00 3.52 -1.490179355e+00 -3.488747679e+00 -4.504812171e+00 3.54 -1.405657511e+00 -3.356201139e+00 -4.370271460e+00 3.56 -1.325032106e+00 -3.224410747e+00 -4.231803944e+00 3.58 -1.248114715e+00 -3.093178609e+00 -4.089464450e+00 3.60 -1.174690339e+00 -2.962310512e+00 -3.943330619e+00 3.62 -1.104525430e+00 -2.831637452e+00 -3.793516508e+00 3.64 -1.037378492e+00 -2.701035970e+00 -3.640188668e+00 3.66 -9.730117567e-01 -2.570446710e+00 -3.483583640e+00 3.68 -9.112025511e-01 -2.439890553e+00 -3.324025473e+00 3.70 -8.517532752e-01 -2.309481510e+00 -3.161941533e+00 3.72 -7.944991859e-01 -2.179435384e+00 -2.997874624e+00 3.74 -7.393135226e-01 -2.050073170e+00 -2.832489358e+00 3.76 -6.861097803e-01 -1.921818213e+00 -2.666570902e+00 3.78 -6.348411934e-01 -1.795186418e+00 -2.501014695e+00 3.80 -5.854977043e-01 -1.670769345e+00 -2.336806495e+00 3.82 -5.381008637e-01 -1.549210705e+00 -2.174993212e+00 3.84 -4.926972264e-01 -1.431177557e+00 -2.016646094e+00 3.86 -4.493508508e-01 -1.317328338e+00 -1.862818989e+00 3.88 -4.081354870e-01 -1.208280341e+00 -1.714505174e+00 3.90 -3.691269424e-01 -1.104579570e+00 -1.572596611e+00 3.92 -3.323959892e-01 -1.006675612e+00 -1.437849261e+00 3.94 -2.980020445e-01 -9.149036030e-01 -1.310857343e+00 3.96 -2.659877668e-01 -8.294744440e-01 -1.192038284e+00 3.98 -2.363746816e-01 -7.504733769e-01 -1.081628810e+00 4.00 -2.091599656e-01 -6.778661317e-01 -9.796913835e-01 4.02 -1.843145127e-01 -6.115111360e-01 -8.861292559e-01 4.04 -1.617823297e-01 -5.511759134e-01 -8.007077784e-01 4.06 -1.414820983e-01 -4.965557325e-01 -7.230794569e-01 4.08 -1.233093580e-01 -4.472927649e-01 -6.528103709e-01 4.10 -1.071402205e-01 -4.029943601e-01 -5.894059756e-01 4.12 -9.283605004e-02 -3.632494695e-01 -5.323348170e-01 4.14 -8.024854984e-02 -3.276426513e-01 -4.810492294e-01 4.16 -6.922481263e-02 -2.957654498e-01 -4.350025680e-01 4.18 -5.961191241e-02 -2.672251940e-01 -3.936629172e-01 4.20 -5.126084658e-02 -2.416514462e-01 -3.565234899e-01 4.22 -4.402962911e-02 -2.187004224e-01 -3.231101021e-01 4.24 -3.778549290e-02 -1.980577459e-01 -2.929861808e-01 4.26 -3.240623748e-02 -1.794398768e-01 -2.657557671e-01 4.28 -2.778091663e-02 -1.625945179e-01 -2.410649304e-01 4.30 -2.380943781e-02 -1.473002385e-01 -2.186019313e-01 4.32 -2.040320674e-02 -1.333654818e-01 -1.980963854e-01 4.34 -1.748481344e-02 -1.206270740e-01 -1.793175916e-01 4.36 -1.498623426e-02 -1.089483059e-01 -1.620721267e-01 4.38 -1.284810998e-02 -9.821661057e-02 -1.462007635e-01 4.40 -1.101893100e-02 -8.834085591e-02 -1.315747697e-01 4.42 -9.454197517e-03 -7.924832593e-02 -1.180916718e-01 4.44 -8.115600105e-03 -7.088143205e-02 -1.056706205e-01 4.46 -6.970249221e-03 -6.319407071e-02 -9.424756648e-02 4.48 -5.989968641e-03 -5.614929022e-02 -8.377049984e-02 4.50 -5.150659308e-03 -4.971564399e-02 -7.419497369e-02 4.52 -4.431734392e-03 -4.386445374e-02 -6.548029094e-02 4.54 -3.815622826e-03 -3.856780990e-02 -5.758681911e-02 4.56 -3.287336361e-03 -3.379717651e-02 -5.047359751e-02 4.58 -2.834094541e-03 -2.952257795e-02 -4.409719628e-02 4.60 -2.445001310e-03 -2.571233096e-02 -3.841136158e-02 4.62 -2.110767245e-03 -2.233322040e-02 -3.336731400e-02 4.64 -1.823471678e-03 -1.935074436e-02 -2.891450500e-02 4.66 -1.576359433e-03 -1.672999832e-02 -2.500109426e-02 4.68 -1.363667474e-03 -1.443694057e-02 -2.157600510e-02 4.70 -1.180477231e-03 -1.243831184e-02 -1.859004163e-02 4.72 -1.022588930e-03 -1.070223889e-02 -1.599591090e-02 4.74 -8.864147224e-04 -9.198711768e-03 -1.374898818e-02 4.76 -7.688878428e-04 -7.899908663e-03 -1.180783947e-02 4.78 -6.673853957e-04 -6.780380883e-03 -1.013452396e-02 4.80 -5.796627445e-04 -5.817119280e-03 -8.694711530e-03 4.82 -5.037977499e-04 -4.989528129e-03 -7.457654731e-03 4.84 -4.381433686e-04 -4.279327973e-03 -6.396053785e-03 4.86 -3.812873495e-04 -3.670413783e-03 -5.485848825e-03 4.88 -3.320179530e-04 -3.148683646e-03 -4.705967865e-03 4.90 -2.892947796e-04 -2.701853912e-03 -4.038052928e-03 4.92 -2.522239346e-04 -2.319271513e-03 -3.466181078e-03 4.94 -2.200368741e-04 -1.991731158e-03 -2.976592181e-03 4.96 -1.920723759e-04 -1.711302531e-03 -2.557431244e-03 4.98 -1.677611648e-04 -1.471170546e-03 -2.198510011e-03 5.00 -1.466127937e-04 -1.265490187e-03 -1.891090214e-03 5.02 -1.282044421e-04 -1.089256376e-03 -1.627689184e-03 5.04 -1.121713460e-04 -9.381885692e-04 -1.401907406e-03 5.06 -9.819861574e-05 -8.086292882e-04 -1.208276874e-03 5.08 -8.601423659e-05 -6.974555338e-04 -1.042128673e-03 5.10 -7.538307619e-05 -6.020018836e-04 -8.994780203e-04 5.12 -6.610175128e-05 -5.199940401e-04 -7.769249123e-04 5.14 -5.799422702e-05 -4.494916238e-04 -6.715685971e-04 5.16 -5.090804220e-05 -3.888390754e-04 -5.809341637e-04 5.18 -4.471106880e-05 -3.366236192e-04 -5.029096884e-04 5.20 -3.928872856e-05 -2.916393412e-04 -4.356925240e-04 5.22 -3.454160036e-05 -2.528565399e-04 -3.777434721e-04 5.24 -3.038336240e-05 -2.193956058e-04 -3.277477266e-04 5.26 -2.673902085e-05 -1.905047795e-04 -2.845816178e-04 5.28 -2.354338430e-05 -1.655412248e-04 -2.472843123e-04 5.30 -2.073974897e-05 -1.439549283e-04 -2.150337400e-04 5.32 -1.827876485e-05 -1.252750062e-04 -1.871261215e-04 5.34 -1.611745713e-05 -1.090980605e-04 -1.629585584e-04 5.36 -1.421838130e-05 -9.507827573e-05 -1.420142271e-04 5.38 -1.254889304e-05 -8.291899528e-05 -1.238497855e-04 5.40 -1.108051700e-05 -7.236555386e-05 -1.080846566e-04 5.42 -9.788400659e-06 -6.319917722e-05 -9.439190943e-05 5.44 -8.650841630e-06 -5.523178742e-05 -8.249049290e-05 5.46 -7.648878138e-06 -4.830157747e-05 -7.213862035e-05 5.48 -6.765934123e-06 -4.226923926e-05 -6.312813089e-05 5.50 -5.987511454e-06 -3.701474649e-05 -5.527968050e-05 5.52 -5.300922857e-06 -3.243460937e-05 -4.843863837e-05 5.54 -4.695060027e-06 -2.843953035e-05 -4.247148177e-05 5.56 -4.160192176e-06 -2.495240100e-05 -3.726321881e-05 5.58 -3.687790934e-06 -2.190658931e-05 -3.271418348e-05 5.60 -3.270378053e-06 -1.924447415e-05 -2.873828978e-05 5.62 -2.901392882e-06 -1.691619051e-05 -2.526104125e-05 5.64 -2.575076985e-06 -1.487855435e-05 -2.221792420e-05 5.66 -2.286373620e-06 -1.309414067e-05 -1.955302991e-05 5.68 -2.030840127e-06 -1.153049246e-05 -1.721787242e-05 5.70 -1.804571520e-06 -1.015944138e-05 -1.517037349e-05 5.72 -1.604133821e-06 -8.956524084e-06 -1.337399024e-05 5.74 -1.426505864e-06 -7.900480186e-06 -1.179696506e-05 5.76 -1.269028457e-06 -6.972820297e-06 -1.041168013e-05 5.78 -1.129359960e-06 -6.157453982e-06 -9.194101516e-06 5.80 -1.005437451e-06 -5.440369141e-06 -8.123300065e-06 5.82 -8.954427434e-07 -4.809355485e-06 -7.181038299e-06 5.84 -7.977726607e-07 -4.253765889e-06 -6.351413823e-06 5.86 -7.110129962e-07 -3.764310272e-06 -5.620551383e-06 5.88 -6.339157076e-07 -3.332877460e-06 -4.976336716e-06 5.90 -5.653789280e-07 -2.952381110e-06 -4.408186376e-06 5.92 -5.044294379e-07 -2.616626366e-06 -3.906848520e-06 5.94 -4.502072896e-07 -2.320194371e-06 -3.464230378e-06 5.96 -4.019523115e-07 -2.058342176e-06 -3.073248735e-06 5.98 -3.589922593e-07 -1.826915935e-06 -2.727700260e-06 6.00 -3.207324061e-07 -1.622275578e-06 -2.422148977e-06