# 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 = Ti3W # 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 3.705394361e+02 nan nan 1.16 3.402632806e+02 nan nan 1.18 3.125203725e+02 nan nan 1.20 2.870858248e+02 nan nan 1.22 2.637527749e+02 nan nan 1.24 2.423323231e+02 nan nan 1.26 2.226526213e+02 nan nan 1.28 2.045576378e+02 3.198768376e+02 3.680207897e+02 1.30 1.879067591e+02 2.958656534e+02 3.410473135e+02 1.32 1.725745712e+02 2.736836939e+02 3.160903932e+02 1.34 1.584500068e+02 2.531795729e+02 2.929825040e+02 1.36 1.454348972e+02 2.342133656e+02 2.715718659e+02 1.38 1.334416580e+02 2.166570208e+02 2.517224827e+02 1.40 1.223904921e+02 2.003940191e+02 2.333126852e+02 1.42 1.122074500e+02 1.853187913e+02 2.162325337e+02 1.44 1.028238043e+02 1.713365509e+02 2.003817541e+02 1.46 9.417578493e+01 1.583629768e+02 1.856686552e+02 1.48 8.620403951e+01 1.463228540e+02 1.720091773e+02 1.50 7.885329884e+01 1.351480554e+02 1.593257383e+02 1.52 7.207260597e+01 1.247759170e+02 1.475463841e+02 1.54 6.581559482e+01 1.151484975e+02 1.366044891e+02 1.56 6.004024876e+01 1.062125066e+02 1.264385451e+02 1.58 5.470828979e+01 9.791927975e+01 1.169915862e+02 1.60 4.978470742e+01 9.022434886e+01 1.082104739e+02 1.62 4.523765373e+01 8.308671153e+01 1.000455625e+02 1.64 4.103845766e+01 7.646809111e+01 9.245090544e+01 1.66 3.716137455e+01 7.033227228e+01 8.538459461e+01 1.68 3.358301840e+01 6.464458327e+01 7.880866432e+01 1.70 3.028175316e+01 5.937174197e+01 7.268852533e+01 1.72 2.723737549e+01 5.448215967e+01 6.699235564e+01 1.74 2.443154511e+01 4.994644091e+01 6.169071599e+01 1.76 2.184687311e+01 4.573765339e+01 5.675636936e+01 1.78 1.946773928e+01 4.183121625e+01 5.216420128e+01 1.80 1.727949174e+01 3.820461884e+01 4.789113120e+01 1.82 1.526855842e+01 3.483722472e+01 4.391591107e+01 1.84 1.342225397e+01 3.171019552e+01 4.021883148e+01 1.86 1.172851300e+01 2.880642805e+01 3.678145069e+01 1.88 1.017571295e+01 2.611048678e+01 3.358641768e+01 1.90 8.752622616e+00 2.360872305e+01 3.061734140e+01 1.92 7.448474891e+00 2.128836726e+01 2.785866379e+01 1.94 6.253108432e+00 1.913757652e+01 2.529593662e+01 1.96 5.157096149e+00 1.714486788e+01 2.291516871e+01 1.98 4.151811863e+00 1.529946485e+01 2.070321316e+01 2.00 3.229432255e+00 1.359129457e+01 1.864797033e+01 2.02 2.382896106e+00 1.201090250e+01 1.673791346e+01 2.04 1.605847021e+00 1.054932248e+01 1.496247232e+01 2.06 8.925744228e-01 9.197977383e+00 1.331202191e+01 2.08 2.379557940e-01 7.948662955e+00 1.177786013e+01 2.10 -3.626066424e-01 6.793605944e+00 1.035215881e+01 2.12 -9.132580377e-01 5.725545411e+00 9.027866789e+00 2.14 -1.417760240e+00 4.737790401e+00 7.798561947e+00 2.16 -1.879540160e+00 3.824238245e+00 6.658279605e+00 2.18 -2.301710849e+00 2.979356530e+00 5.601365428e+00 2.20 -2.687081665e+00 2.198135858e+00 4.622398670e+00 2.22 -3.038178364e+00 1.476019164e+00 3.716205774e+00 2.24 -3.357282518e+00 8.088222795e-01 2.877928732e+00 2.26 -3.646482259e+00 1.926656954e-01 2.103087326e+00 2.28 -3.907719943e+00 -3.760670438e-01 1.387583471e+00 2.30 -4.142826842e+00 -9.007410561e-01 7.276460413e-01 2.32 -4.353543179e+00 -1.384465697e+00 1.197478993e-01 2.34 -4.541455380e+00 -1.830084805e+00 -4.394675694e-01 2.36 -4.708179304e+00 -2.240177404e+00 -9.532318023e-01 2.38 -4.855322181e+00 -2.617074457e+00 -1.424666442e+00 2.40 -4.984409762e+00 -2.962893162e+00 -1.856774744e+00 2.42 -5.096891333e+00 -3.279580662e+00 -2.252421503e+00 2.44 -5.194144472e+00 -3.568954927e+00 -2.614310946e+00 2.46 -5.277478915e+00 -3.832735107e+00 -2.944970969e+00 2.48 -5.348136097e+00 -4.072558355e+00 -3.246747123e+00 2.50 -5.407159902e+00 -4.289985018e+00 -3.521807185e+00 2.52 -5.455337143e+00 -4.486495323e+00 -3.772154244e+00 2.54 -5.493420088e+00 -4.663450022e+00 -3.999647187e+00 2.56 -5.522131081e+00 -4.822099600e+00 -4.206022759e+00 2.58 -5.542144005e+00 -4.963702568e+00 -4.392912867e+00 2.60 -5.554155067e+00 -5.089410803e+00 -4.561850560e+00 2.62 -5.558777076e+00 -5.200273428e+00 -4.714206724e+00 2.64 -5.556279609e+00 -5.297251196e+00 -4.851273272e+00 2.66 -5.546894522e+00 -5.381231437e+00 -4.974302829e+00 2.68 -5.530825790e+00 -5.453043037e+00 -5.084391642e+00 2.70 -5.508255405e+00 -5.513468003e+00 -5.182494454e+00 2.72 -5.479353135e+00 -5.563187623e+00 -5.269449537e+00 2.74 -5.444286071e+00 -5.602688685e+00 -5.346005957e+00 2.76 -5.403068796e+00 -5.632442305e+00 -5.412847134e+00 2.78 -5.355448443e+00 -5.652932639e+00 -5.470596227e+00 2.80 -5.301237477e+00 -5.664658286e+00 -5.519695279e+00 2.82 -5.240343623e+00 -5.668168611e+00 -5.560493900e+00 2.84 -5.172757841e+00 -5.663921760e+00 -5.593365085e+00 2.86 -5.098543565e+00 -5.652414892e+00 -5.618698800e+00 2.88 -5.017827705e+00 -5.633985625e+00 -5.636892918e+00 2.90 -4.930792272e+00 -5.608982299e+00 -5.648347714e+00 2.92 -4.837668185e+00 -5.577784532e+00 -5.653581810e+00 2.94 -4.738731519e+00 -5.540788442e+00 -5.652893713e+00 2.96 -4.634303022e+00 -5.498261552e+00 -5.646468811e+00 2.98 -4.524753908e+00 -5.450424193e+00 -5.634481242e+00 3.00 -4.410517010e+00 -5.397574667e+00 -5.617087121e+00 3.02 -4.292102167e+00 -5.339984685e+00 -5.594425462e+00 3.04 -4.170111915e+00 -5.277864822e+00 -5.566622119e+00 3.06 -4.045252109e+00 -5.211502287e+00 -5.533796025e+00 3.08 -3.918331786e+00 -5.141235359e+00 -5.496032917e+00 3.10 -3.790247960e+00 -5.067414772e+00 -5.453192925e+00 3.12 -3.661954149e+00 -4.990370808e+00 -5.405084512e+00 3.14 -3.534415700e+00 -4.910392443e+00 -5.351579346e+00 3.16 -3.408558948e+00 -4.827717849e+00 -5.292604875e+00 3.18 -3.285223110e+00 -4.742536508e+00 -5.228137678e+00 3.20 -3.165122678e+00 -4.654997254e+00 -5.158198776e+00 3.22 -3.048824570e+00 -4.565219402e+00 -5.082851822e+00 3.24 -2.936740345e+00 -4.473304317e+00 -5.002204276e+00 3.26 -2.829131015e+00 -4.379346174e+00 -4.916412353e+00 3.28 -2.726120958e+00 -4.283441554e+00 -4.825688583e+00 3.30 -2.627717595e+00 -4.185697981e+00 -4.730310602e+00 3.32 -2.533834053e+00 -4.086241618e+00 -4.630628648e+00 3.34 -2.444312430e+00 -3.985224172e+00 -4.527068927e+00 3.36 -2.358946185e+00 -3.882828924e+00 -4.420130525e+00 3.38 -2.277499166e+00 -3.779275560e+00 -4.310375057e+00 3.40 -2.199721885e+00 -3.674823359e+00 -4.198410243e+00 3.42 -2.125363563e+00 -3.569772496e+00 -4.084870233e+00 3.44 -2.054181142e+00 -3.464462525e+00 -3.970395949e+00 3.46 -1.985944420e+00 -3.359268513e+00 -3.855617843e+00 3.48 -1.920439760e+00 -3.254594082e+00 -3.741141963e+00 3.50 -1.857471517e+00 -3.150861583e+00 -3.627538654e+00 3.52 -1.796862770e+00 -3.048499500e+00 -3.515333991e+00 3.54 -1.738454485e+00 -2.947927489e+00 -3.405000336e+00 3.56 -1.682105033e+00 -2.849539880e+00 -3.296949880e+00 3.58 -1.627688964e+00 -2.753689015e+00 -3.191528566e+00 3.60 -1.575095693e+00 -2.660670318e+00 -3.089012411e+00 3.62 -1.524228064e+00 -2.570711087e+00 -2.989606598e+00 3.64 -1.475000851e+00 -2.483964650e+00 -2.893447540e+00 3.66 -1.427339238e+00 -2.400510572e+00 -2.800607727e+00 3.68 -1.381177323e+00 -2.320360474e+00 -2.711102766e+00 3.70 -1.336456693e+00 -2.243468064e+00 -2.624899888e+00 3.72 -1.293125116e+00 -2.169741507e+00 -2.541927088e+00 3.74 -1.251135374e+00 -2.099056286e+00 -2.462082217e+00 3.76 -1.210444260e+00 -2.031267126e+00 -2.385241459e+00 3.78 -1.171011744e+00 -1.966218120e+00 -2.311266833e+00 3.80 -1.132800305e+00 -1.903750677e+00 -2.240012535e+00 3.82 -1.095774398e+00 -1.843709345e+00 -2.171330091e+00 3.84 -1.059900054e+00 -1.785945735e+00 -2.105072379e+00 3.86 -1.025144579e+00 -1.730320906e+00 -2.041096674e+00 3.88 -9.914763318e-01 -1.676706562e+00 -1.979266899e+00 3.90 -9.588645643e-01 -1.624985394e+00 -1.919455253e+00 3.92 -9.272792481e-01 -1.575050755e+00 -1.861543316e+00 3.94 -8.966912292e-01 -1.526806365e+00 -1.805423386e+00 3.96 -8.670717857e-01 -1.480164975e+00 -1.750998530e+00 3.98 -8.383928446e-01 -1.435047805e+00 -1.698183643e+00 4.00 -8.106268689e-01 -1.391383500e+00 -1.646905735e+00 4.02 -7.837468192e-01 -1.349107229e+00 -1.597104090e+00 4.04 -7.577261174e-01 -1.308159834e+00 -1.548730034e+00 4.06 -7.325386104e-01 -1.268487062e+00 -1.501746152e+00 4.08 -7.081585322e-01 -1.230038876e+00 -1.456124835e+00 4.10 -6.845604644e-01 -1.192768630e+00 -1.411846139e+00 4.12 -6.617192963e-01 -1.156633460e+00 -1.368895058e+00 4.14 -6.396101826e-01 -1.121592376e+00 -1.327258484e+00 4.16 -6.182085027e-01 -1.087606895e+00 -1.286922222e+00 4.18 -5.974898199e-01 -1.054640449e+00 -1.247868461e+00 4.20 -5.774297010e-01 -1.022658117e+00 -1.210074025e+00 4.22 -5.580042799e-01 -9.916264183e-01 -1.173509563e+00 4.24 -5.391892869e-01 -9.615131527e-01 -1.138139675e+00 4.26 -5.209606893e-01 -9.322872951e-01 -1.103923786e+00 4.28 -5.032944999e-01 -9.039189260e-01 -1.070817519e+00 4.30 -4.861667705e-01 -8.763791994e-01 -1.038774277e+00 4.32 -4.695535939e-01 -8.496403358e-01 -1.007746798e+00 4.34 -4.534311153e-01 -8.236756314e-01 -9.776885218e-01 4.36 -4.377755134e-01 -7.984594703e-01 -9.485546694e-01 4.38 -4.225632158e-01 -7.739673326e-01 -9.203030126e-01 4.40 -4.077706789e-01 -7.501757849e-01 -8.928943475e-01 4.42 -3.933746690e-01 -7.270624496e-01 -8.662927126e-01 4.44 -3.793523350e-01 -7.046059479e-01 -8.404654023e-01 4.46 -3.656813830e-01 -6.827858166e-01 -8.153828274e-01 4.48 -3.523403156e-01 -6.615824013e-01 -7.910182715e-01 4.50 -3.393087491e-01 -6.409767335e-01 -7.673475833e-01 4.52 -3.265678180e-01 -6.209503964e-01 -7.443485762e-01 4.54 -3.141006698e-01 -6.014853896e-01 -7.220017858e-01 4.56 -3.018930400e-01 -5.825639999e-01 -7.002884215e-01 4.58 -2.899338810e-01 -5.641686836e-01 -6.791912801e-01 4.60 -2.782159981e-01 -5.462819690e-01 -6.586941691e-01 4.62 -2.667366235e-01 -5.288863804e-01 -6.387816895e-01 4.64 -2.554978368e-01 -5.119643904e-01 -6.194390591e-01 4.66 -2.445067326e-01 -4.954984021e-01 -6.006519723e-01 4.68 -2.337752352e-01 -4.794707647e-01 -5.824064940e-01 4.70 -2.233194881e-01 -4.638638275e-01 -5.646889815e-01 4.72 -2.131587927e-01 -4.486600347e-01 -5.474860290e-01 4.74 -2.033141377e-01 -4.338420669e-01 -5.307844308e-01 4.76 -1.938064350e-01 -4.193930327e-01 -5.145711585e-01 4.78 -1.846546433e-01 -4.052967137e-01 -4.988333472e-01 4.80 -1.758739956e-01 -3.915377424e-01 -4.835582897e-01 4.82 -1.674745449e-01 -3.781024588e-01 -4.687334341e-01 4.84 -1.594601943e-01 -3.649785073e-01 -4.543463845e-01 4.86 -1.518283057e-01 -3.521558040e-01 -4.403849022e-01 4.88 -1.445698876e-01 -3.396267970e-01 -4.268369067e-01 4.90 -1.376702899e-01 -3.273868262e-01 -4.136904761e-01 4.92 -1.311102756e-01 -3.154343877e-01 -4.009338459e-01 4.94 -1.248673186e-01 -3.037712495e-01 -3.885554060e-01 4.96 -1.189169838e-01 -2.924023665e-01 -3.765436958e-01 4.98 -1.132342695e-01 -2.813355539e-01 -3.648873973e-01 5.00 -1.077948252e-01 -2.705809055e-01 -3.535753258e-01 5.02 -1.025759942e-01 -2.601499687e-01 -3.425964189e-01 5.04 -9.755765066e-02 -2.500547332e-01 -3.319397229e-01 5.06 -9.272281957e-02 -2.403065161e-01 -3.215943780e-01 5.08 -8.805807754e-02 -2.309148566e-01 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-1.149527041e-01 -1.697370309e-01 5.46 -2.990631147e-02 -1.104101867e-01 -1.633038409e-01 5.48 -2.830914387e-02 -1.059531385e-01 -1.569440417e-01 5.50 -2.680081646e-02 -1.015689385e-01 -1.506466629e-01 5.52 -2.537072789e-02 -9.724624527e-02 -1.444015618e-01 5.54 -2.400898431e-02 -9.297511465e-02 -1.381996575e-01 5.56 -2.270667781e-02 -8.874714795e-02 -1.320335340e-01 5.58 -2.145596772e-02 -8.455566949e-02 -1.258974043e-01 5.60 -2.025009364e-02 -8.039592541e-02 -1.197877922e-01 5.62 -1.908341399e-02 -7.626529031e-02 -1.137038572e-01 5.64 -1.795142393e-02 -7.216346432e-02 -1.076477690e-01 5.66 -1.685075387e-02 -6.809263765e-02 -1.016250240e-01 5.68 -1.577914737e-02 -6.405759665e-02 -9.564466679e-02 5.70 -1.473541596e-02 -6.006574384e-02 -8.971937313e-02 5.72 -1.371936746e-02 -5.612700610e-02 -8.386535990e-02 5.74 -1.273170497e-02 -5.225361105e-02 -7.810209019e-02 5.76 -1.177389534e-02 -4.845972011e-02 -7.245175972e-02 5.78 -1.084800877e-02 -4.476076894e-02 -6.693857029e-02 5.80 -9.956534163e-03 -4.117310418e-02 -6.158781601e-02 5.82 -9.102178772e-03 -3.771329919e-02 -5.642483893e-02 5.84 -8.287663341e-03 -3.439726307e-02 -5.147392493e-02 5.86 -7.515525696e-03 -3.123951008e-02 -4.675722353e-02 5.88 -6.787945951e-03 -2.825250547e-02 -4.229377817e-02 5.90 -6.106604754e-03 -2.544613836e-02 -3.809874234e-02 5.92 -5.472582843e-03 -2.282725701e-02 -3.418267143e-02 5.94 -4.886305934e-03 -2.039944717e-02 -3.055119573e-02 5.96 -4.347534503e-03 -1.816359519e-02 -2.720592805e-02 5.98 -3.855393909e-03 -1.611760904e-02 -2.414398583e-02 6.00 -3.408437283e-03 -1.425669408e-02 -2.135825951e-02