# 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 = Ta3W # 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 4.883746894e+02 nan nan 1.16 4.494681783e+02 nan nan 1.18 4.137483991e+02 nan nan 1.20 3.809395389e+02 nan nan 1.22 3.507907345e+02 nan nan 1.24 3.230708724e+02 nan nan 1.26 2.975653653e+02 nan nan 1.28 2.740763195e+02 4.233363235e+02 4.850876132e+02 1.30 2.524245878e+02 3.923614325e+02 4.504440392e+02 1.32 2.324510827e+02 3.637046892e+02 4.183512869e+02 1.34 2.140157043e+02 3.371811757e+02 3.886000790e+02 1.36 1.969940889e+02 3.126207374e+02 3.610028997e+02 1.38 1.812736602e+02 2.898659983e+02 3.353915220e+02 1.40 1.667505357e+02 2.687718833e+02 3.116127723e+02 1.42 1.533280686e+02 2.492055171e+02 2.895246396e+02 1.44 1.409168427e+02 2.310453399e+02 2.689943148e+02 1.46 1.294352457e+02 2.141793755e+02 2.498984484e+02 1.48 1.188096357e+02 1.985035336e+02 2.321245765e+02 1.50 1.089736773e+02 1.839208909e+02 2.155720405e+02 1.52 9.986715954e+01 1.703421969e+02 2.001513346e+02 1.54 9.143488430e+01 1.576870139e+02 1.857821358e+02 1.56 8.362593421e+01 1.458845259e+02 1.723911211e+02 1.58 7.639324515e+01 1.348733365e+02 1.599104559e+02 1.60 6.969327632e+01 1.246002103e+02 1.482770770e+02 1.62 6.348567018e+01 1.150182302e+02 1.374323593e+02 1.64 5.773293906e+01 1.060849796e+02 1.273217311e+02 1.66 5.240027811e+01 9.776115835e+01 1.178940897e+02 1.68 4.745556426e+01 9.000972913e+01 1.091011631e+02 1.70 4.286949762e+01 8.279547120e+01 1.008971011e+02 1.72 3.861574343e+01 7.608474019e+01 9.323849808e+01 1.74 3.467091093e+01 6.984528820e+01 8.608482723e+01 1.76 3.101427910e+01 6.404610522e+01 7.939902535e+01 1.78 2.762729626e+01 5.865732656e+01 7.314788590e+01 1.80 2.449297092e+01 5.365026328e+01 6.730204387e+01 1.82 2.159529747e+01 4.899755909e+01 6.183556518e+01 1.84 1.891904231e+01 4.467340577e+01 5.672531696e+01 1.86 1.645830760e+01 4.065371546e+01 5.195031415e+01 1.88 1.420611945e+01 3.691617237e+01 4.749115791e+01 1.90 1.214709752e+01 3.344015002e+01 4.332959339e+01 1.92 1.026637820e+01 3.020653841e+01 3.944817298e+01 1.94 8.549710807e+00 2.719755041e+01 3.583001486e+01 1.96 6.983549573e+00 2.439656544e+01 3.245866337e+01 1.98 5.555114520e+00 2.178803991e+01 2.931806188e+01 2.00 4.252408165e+00 1.935758812e+01 2.639263208e+01 2.02 3.064195972e+00 1.710044296e+01 2.366742626e+01 2.04 1.979976329e+00 1.501034867e+01 2.112829788e+01 2.06 9.899695616e-01 1.307455392e+01 1.876217927e+01 2.08 8.514211861e-02 1.128139548e+01 1.656594529e+01 2.10 -7.427403714e-01 9.620249948e+00 1.453298819e+01 2.12 -1.501055287e+00 8.081455361e+00 1.265187531e+01 2.14 -2.196288908e+00 6.656229940e+00 1.091195757e+01 2.16 -2.834045852e+00 5.336603147e+00 9.303179000e+00 2.18 -3.419107610e+00 4.115356107e+00 7.815927054e+00 2.20 -3.955532825e+00 2.985957316e+00 6.440964040e+00 2.22 -4.446783649e+00 1.942480708e+00 5.169455214e+00 2.24 -4.895859462e+00 9.795027598e-01 3.993077320e+00 2.26 -5.305420952e+00 9.198610181e-02 2.904163282e+00 2.28 -5.677892757e+00 -7.248356499e-01 1.895826843e+00 2.30 -6.015539458e+00 -1.475554972e+00 9.620210370e-01 2.32 -6.320515495e+00 -2.164654740e+00 9.751093276e-02 2.34 -6.594893314e+00 -2.796530827e+00 -7.022292182e-01 2.36 -6.840675419e+00 -3.375472592e+00 -1.441163998e+00 2.38 -7.059795824e+00 -3.905610411e+00 -2.122853826e+00 2.40 -7.254115235e+00 -4.390847238e+00 -2.750591133e+00 2.42 -7.425413009e+00 -4.834793961e+00 -3.327498312e+00 2.44 -7.575377761e+00 -5.240724946e+00 -3.856582993e+00 2.46 -7.705597665e+00 -5.611562112e+00 -4.340756280e+00 2.48 -7.817549510e+00 -5.949886806e+00 -4.782825518e+00 2.50 -7.912524803e+00 -6.257972197e+00 -5.185475075e+00 2.52 -7.991774548e+00 -6.537826331e+00 -5.551247129e+00 2.54 -8.056451881e+00 -6.791237031e+00 -5.882530909e+00 2.56 -8.107305980e+00 -7.019812689e+00 -6.181564346e+00 2.58 -8.145320637e+00 -7.225016126e+00 -6.450448033e+00 2.60 -8.171479628e+00 -7.408191110e+00 -6.691168312e+00 2.62 -8.186586068e+00 -7.570582411e+00 -6.905624587e+00 2.64 -8.191278547e+00 -7.713350717e+00 -7.095655410e+00 2.66 -8.186037613e+00 -7.837583633e+00 -7.263058320e+00 2.68 -8.171065353e+00 -7.944303620e+00 -7.409599614e+00 2.70 -8.146404567e+00 -8.034473460e+00 -7.537012137e+00 2.72 -8.111787687e+00 -8.108999034e+00 -7.646981542e+00 2.74 -8.066461125e+00 -8.168674843e+00 -7.741123837e+00 2.76 -8.009766033e+00 -8.214272117e+00 -7.820958910e+00 2.78 -7.941193353e+00 -8.246426363e+00 -7.887874026e+00 2.80 -7.860366519e+00 -8.265925937e+00 -7.943069441e+00 2.82 -7.767021316e+00 -8.273708844e+00 -7.987690992e+00 2.84 -7.660984524e+00 -8.270644452e+00 -8.022659004e+00 2.86 -7.542154122e+00 -8.257544684e+00 -8.048627312e+00 2.88 -7.410484528e+00 -8.235176537e+00 -8.066535957e+00 2.90 -7.265980315e+00 -8.204273190e+00 -8.077196202e+00 2.92 -7.108701239e+00 -8.165430486e+00 -8.081274299e+00 2.94 -6.938780190e+00 -8.118828202e+00 -8.079314724e+00 2.96 -6.756453999e+00 -8.064444130e+00 -8.071760441e+00 2.98 -6.562105031e+00 -8.002078975e+00 -8.058932021e+00 3.00 -6.356309227e+00 -7.931632128e+00 -8.040950801e+00 3.02 -6.139884116e+00 -7.853103306e+00 -8.017763244e+00 3.04 -5.913928485e+00 -7.766563998e+00 -7.988906800e+00 3.06 -5.679844557e+00 -7.672130348e+00 -7.953912829e+00 3.08 -5.439334105e+00 -7.569939599e+00 -7.912400189e+00 3.10 -5.194362447e+00 -7.460132213e+00 -7.864059560e+00 3.12 -4.947088759e+00 -7.342841276e+00 -7.808640332e+00 3.14 -4.699766985e+00 -7.218190035e+00 -7.745939502e+00 3.16 -4.454627632e+00 -7.086297529e+00 -7.675792340e+00 3.18 -4.213755276e+00 -6.947291318e+00 -7.598064917e+00 3.20 -3.978978319e+00 -6.801325556e+00 -7.512648839e+00 3.22 -3.751785686e+00 -6.648601997e+00 -7.419458657e+00 3.24 -3.533280298e+00 -6.489391118e+00 -7.318432364e+00 3.26 -3.324172512e+00 -6.324050369e+00 -7.209535158e+00 3.28 -3.124810099e+00 -6.153036780e+00 -7.092766306e+00 3.30 -2.935236212e+00 -5.976911629e+00 -6.968168463e+00 3.32 -2.755263966e+00 -5.796335907e+00 -6.835838337e+00 3.34 -2.584555837e+00 -5.612056425e+00 -6.695937216e+00 3.36 -2.422697518e+00 -5.424883729e+00 -6.548699624e+00 3.38 -2.269258558e+00 -5.235664028e+00 -6.394438378e+00 3.40 -2.123835282e+00 -5.045247976e+00 -6.233544572e+00 3.42 -1.986074604e+00 -4.854459281e+00 -6.066481555e+00 3.44 -1.855680177e+00 -4.664065784e+00 -5.893772682e+00 3.46 -1.732404377e+00 -4.474755008e+00 -5.715983542e+00 3.48 -1.616030996e+00 -4.287115535e+00 -5.533700208e+00 3.50 -1.506353898e+00 -4.101624957e+00 -5.347505815e+00 3.52 -1.403156492e+00 -3.918644719e+00 -5.157958227e+00 3.54 -1.306195738e+00 -3.738421922e+00 -4.965571606e+00 3.56 -1.215192950e+00 -3.561097845e+00 -4.770804405e+00 3.58 -1.129832053e+00 -3.386722744e+00 -4.574055552e+00 3.60 -1.049764675e+00 -3.215276123e+00 -4.375669696e+00 3.62 -9.746204969e-01 -3.046691327e+00 -4.175951286e+00 3.64 -9.040208553e-01 -2.880882966e+00 -3.975186239e+00 3.66 -8.375935453e-01 -2.717775349e+00 -3.773669064e+00 3.68 -7.749869992e-01 -2.557329931e+00 -3.571732619e+00 3.70 -7.158824246e-01 -2.399569676e+00 -3.369777269e+00 3.72 -6.600029257e-01 -2.244598310e+00 -3.168296053e+00 3.74 -6.071190536e-01 -2.092612683e+00 -2.967892646e+00 3.76 -5.570506126e-01 -1.943906875e+00 -2.769289372e+00 3.78 -5.096648661e-01 -1.798867291e+00 -2.573323360e+00 3.80 -4.648715607e-01 -1.657958788e+00 -2.380930091e+00 3.82 -4.226154112e-01 -1.521702740e+00 -2.193114941e+00 3.84 -3.828668606e-01 -1.390648870e+00 -2.010914778e+00 3.86 -3.456120245e-01 -1.265343364e+00 -1.835352978e+00 3.88 -3.108427440e-01 -1.146296296e+00 -1.667392111e+00 3.90 -2.785475886e-01 -1.033951412e+00 -1.507888916e+00 3.92 -2.487044800e-01 -9.286610179e-01 -1.357555854e+00 3.94 -2.212753737e-01 -8.306679851e-01 -1.216932612e+00 3.96 -1.962031699e-01 -7.400959558e-01 -1.086369584e+00 3.98 -1.734107804e-01 -6.569478393e-01 -9.660238268e-01 4.00 -1.528020676e-01 -5.811117897e-01 -8.558665964e-01 4.02 -1.342642091e-01 -5.123732024e-01 -7.557004327e-01 4.04 -1.176708839e-01 -4.504309043e-01 -6.651831455e-01 4.06 -1.028867703e-01 -3.949156426e-01 -5.838558192e-01 4.08 -8.977108586e-02 -3.454091433e-01 -5.111721577e-01 4.10 -7.818127033e-02 -3.014623389e-01 -4.465269332e-01 4.12 -6.797633087e-02 -2.626117588e-01 -3.892818964e-01 4.14 -5.901958521e-02 -2.283934707e-01 -3.387881118e-01 4.16 -5.118081126e-02 -1.983543173e-01 -2.944042260e-01 4.18 -4.433777919e-02 -1.720604561e-01 -2.555106164e-01 4.20 -3.837721028e-02 -1.491034039e-01 -2.215196771e-01 4.22 -3.319525283e-02 -1.291039082e-01 -1.918826918e-01 4.24 -2.869760482e-02 -1.117139849e-01 -1.660938391e-01 4.26 -2.479891156e-02 -9.661754855e-02 -1.436918956e-01 4.28 -2.142304336e-02 -8.352994910e-02 -1.242601708e-01 4.30 -1.850305683e-02 -7.219672472e-02 -1.074251559e-01 4.32 -1.597956780e-02 -6.239179048e-02 -9.285426911e-02 4.34 -1.380019551e-02 -5.391534581e-02 -8.025304354e-02 4.36 -1.191895788e-02 -4.659147985e-02 -6.936203826e-02 4.38 -1.029564962e-02 -4.026583802e-02 -5.995363029e-02 4.40 -8.895230806e-03 -3.480425439e-02 -5.182878702e-02 4.42 -7.687245763e-03 -3.008977526e-02 -4.481397634e-02 4.44 -6.645281961e-03 -2.602059982e-02 -3.875825444e-02 4.46 -5.746474986e-03 -2.250804766e-02 -3.352999479e-02 4.48 -4.971061269e-03 -1.947595276e-02 -2.901597558e-02 4.50 -4.301978044e-03 -1.685842461e-02 -2.511838359e-02 4.52 -3.724508343e-03 -1.459844446e-02 -2.175244666e-02 4.54 -3.225968015e-03 -1.264674880e-02 -1.884517321e-02 4.56 -2.795431156e-03 -1.096082482e-02 -1.633349236e-02 4.58 -2.423490321e-03 -9.504017158e-03 -1.416295677e-02 4.60 -2.102047812e-03 -8.244740305e-03 -1.228660772e-02 4.62 -1.824134522e-03 -7.155788731e-03 -1.066397181e-02 4.64 -1.583753086e-03 -6.213735444e-03 -9.260180282e-03 4.66 -1.375742331e-03 -5.398409643e-03 -8.045200519e-03 4.68 -1.195660307e-03 -4.692444367e-03 -6.993168074e-03 4.70 -1.039683502e-03 -4.080885617e-03 -6.081808059e-03 4.72 -9.045200662e-04 -3.550855176e-03 -5.291935086e-03 4.74 -7.873351769e-04 -3.091260128e-03 -4.607021882e-03 4.76 -6.856868748e-04 -2.692542855e-03 -4.012827664e-03 4.78 -5.974709316e-04 -2.346466038e-03 -3.497078306e-03 4.80 -5.208734930e-04 -2.045927655e-03 -3.049191279e-03 4.82 -4.543304095e-04 -1.784802969e-03 -2.660039224e-03 4.84 -3.964923129e-04 -1.557806887e-03 -2.321746783e-03 4.86 -3.461946296e-04 -1.360377630e-03 -2.027516050e-03 4.88 -3.024318291e-04 -1.188575853e-03 -1.771476625e-03 4.90 -2.643353100e-04 -1.038998189e-03 -1.548556786e-03 4.92 -2.311544028e-04 -9.087029545e-04 -1.354372802e-03 4.94 -2.022400503e-04 -7.951463204e-04 -1.185133814e-03 4.96 -1.770307809e-04 -6.961274396e-04 -1.037560075e-03 4.98 -1.550406520e-04 -6.097412730e-04 -9.088126472e-04 5.00 -1.358488818e-04 -5.343380158e-04 -7.964329426e-04 5.02 -1.190909294e-04 -4.684881892e-04 -6.982907039e-04 5.04 -1.044508198e-04 -4.109525954e-04 -6.125392306e-04 5.06 -9.165453508e-05 -3.606564477e-04 -5.375768282e-04 5.08 -8.046432361e-05 -3.166670863e-04 -4.720136006e-04 5.10 -7.067379545e-05 -2.781747747e-04 -4.146428329e-04 5.12 -6.210369497e-05 -2.444761431e-04 -3.644163187e-04 5.14 -5.459825476e-05 -2.149599071e-04 -3.204230786e-04 5.16 -4.802204966e-05 -1.890945442e-04 -2.818709957e-04 5.18 -4.225728096e-05 -1.664176538e-04 -2.480709599e-04 5.20 -3.720143084e-05 -1.465267663e-04 -2.184231721e-04 5.22 -3.276523554e-05 -1.290714009e-04 -1.924053083e-04 5.24 -2.887093319e-05 -1.137461981e-04 -1.695622860e-04 5.26 -2.545074826e-05 -1.002849790e-04 -1.494974118e-04 5.28 -2.244557999e-05 -8.845560430e-05 -1.318647194e-04 5.30 -1.980386691e-05 -7.805552173e-05 -1.163623352e-04 5.32 -1.748060319e-05 -6.890790950e-05 -1.027267308e-04 5.34 -1.543648619e-05 -6.085833301e-05 -9.072774104e-05 5.36 -1.363717724e-05 -5.377184575e-05 -8.016424353e-05 5.38 -1.205266041e-05 -4.753047390e-05 -7.086041026e-05 5.40 -1.065668591e-05 -4.203103277e-05 -6.266245359e-05 5.42 -9.426286769e-06 -3.718323046e-05 -5.543580023e-05 5.44 -8.341358889e-06 -3.290802007e-05 -4.906263563e-05 5.46 -7.384296063e-06 -2.913616720e-05 -4.343976923e-05 5.48 -6.539672518e-06 -2.580700405e-05 -3.847677765e-05 5.50 -5.793966721e-06 -2.286734514e-05 -3.409438900e-05 5.52 -5.135320949e-06 -2.027054348e-05 -3.022307612e-05 5.54 -4.553331893e-06 -1.797566835e-05 -2.680173458e-05 5.56 -4.038868198e-06 -1.594678883e-05 -2.377701350e-05 5.58 -3.583911413e-06 -1.415234910e-05 -2.110176789e-05 5.60 -3.181417261e-06 -1.256462362e-05 -1.873467143e-05 5.62 -2.825194601e-06 -1.115924157e-05 -1.663939777e-05 5.64 -2.509799754e-06 -9.914771712e-06 -1.478400191e-05 5.66 -2.230444217e-06 -8.812359782e-06 -1.314037969e-05 5.68 -1.982914019e-06 -7.835411572e-06 -1.168379553e-05 5.70 -1.763499230e-06 -6.969315877e-06 -1.039246950e-05 5.72 -1.568932308e-06 -6.201202160e-06 -9.247216147e-06 5.74 -1.396334153e-06 -5.519728493e-06 -8.231128437e-06 5.76 -1.243166892e-06 -4.914895896e-06 -7.329301061e-06 5.78 -1.107192522e-06 -4.377885743e-06 -6.528588080e-06 5.80 -9.864366829e-07 -3.900917276e-06 -5.817390577e-06 5.82 -8.791569014e-07 -3.477122715e-06 -5.185470498e-06 5.84 -7.838147442e-07 -3.100437717e-06 -4.623787398e-06 5.86 -6.990513907e-07 -2.765505278e-06 -4.124355202e-06 5.88 -6.236661933e-07 -2.467591379e-06 -3.680116475e-06 5.90 -5.565978543e-07 -2.202510913e-06 -3.284832024e-06 5.92 -4.969078915e-07 -1.966562622e-06 -2.932983903e-06 5.94 -4.437661090e-07 -1.756471899e-06 -2.619690179e-06 5.96 -3.964378246e-07 -1.569340522e-06 -2.340629989e-06 5.98 -3.542726368e-07 -1.402602420e-06 -2.091977616e-06 6.00 -3.166945418e-07 -1.253984766e-06 -1.870344492e-06