# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Ni-Al-Co # implementation = 2015--Purja-Pun-G-P--Ni-Al-Co--LAMMPS--ipr2 # composition = Co3Ni # 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 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 3.410956722e+04 nan nan 1.02 3.021766313e+04 nan nan 1.04 2.663691230e+04 nan nan 1.06 2.333461298e+04 nan nan 1.08 2.027879961e+04 nan nan 1.10 1.744154075e+04 3.249555800e+04 nan 1.12 1.480053637e+04 2.902130115e+04 3.452285515e+04 1.14 1.233999233e+04 2.580013717e+04 3.100027403e+04 1.16 1.005028360e+04 2.281024722e+04 2.772678031e+04 1.18 7.924776511e+03 2.002803114e+04 2.467734779e+04 1.20 5.956979728e+03 1.743085294e+04 2.182966996e+04 1.22 4.139067374e+03 1.499969355e+04 1.916504446e+04 1.24 2.484299124e+03 1.272083341e+04 1.666982418e+04 1.26 1.482999036e+03 1.058648576e+04 1.433560562e+04 1.28 1.047644253e+03 8.591852781e+03 1.215681653e+04 1.30 8.872356642e+02 6.732695612e+03 1.012792015e+04 1.32 8.045645731e+02 5.004414727e+03 8.242228474e+03 1.34 7.263239272e+02 3.400709311e+03 6.490896597e+03 1.36 6.516866794e+02 2.033921105e+03 4.862851776e+03 1.38 5.815070052e+02 1.283849747e+03 3.345910674e+03 1.40 5.162555987e+02 9.428813902e+02 2.034356136e+03 1.42 4.561909132e+02 8.071827323e+02 1.289212614e+03 1.44 4.014232206e+02 7.330114614e+02 9.363996201e+02 1.46 3.518741866e+02 6.642916282e+02 7.936849021e+02 1.48 3.072806630e+02 5.998157285e+02 7.231359373e+02 1.50 2.673068458e+02 5.397720422e+02 6.592576482e+02 1.52 2.316187269e+02 4.841775106e+02 5.988464759e+02 1.54 1.998482807e+02 4.329285657e+02 5.420448471e+02 1.56 1.716146515e+02 3.858891957e+02 4.888966014e+02 1.58 1.465676192e+02 3.429041951e+02 4.393815305e+02 1.60 1.244263756e+02 3.037787759e+02 3.934724681e+02 1.62 1.049504423e+02 2.682625139e+02 3.511576686e+02 1.64 8.790832256e+01 2.361195307e+02 3.123891334e+02 1.66 7.306544936e+01 2.071384932e+02 2.770335931e+02 1.68 6.018531594e+01 1.811057485e+02 2.448694958e+02 1.70 4.906278879e+01 1.578088209e+02 2.156399297e+02 1.72 3.953364468e+01 1.370401900e+02 1.891292390e+02 1.74 3.144632080e+01 1.185886006e+02 1.651708361e+02 1.76 2.464921061e+01 1.022255276e+02 1.435968242e+02 1.78 1.899481384e+01 8.771548607e+01 1.242286648e+02 1.80 1.433337811e+01 7.485516512e+01 1.068935507e+02 1.82 1.051191614e+01 6.349312777e+01 9.142404480e+01 1.84 7.397276448e+00 5.350152376e+01 7.765745809e+01 1.86 4.888188842e+00 4.475107976e+01 6.544866615e+01 1.88 2.897446603e+00 3.711444353e+01 5.467690172e+01 1.90 1.339321510e+00 3.047489811e+01 4.523267360e+01 1.92 1.334779100e-01 2.472733448e+01 3.700825714e+01 1.94 -7.907336961e-01 1.977766230e+01 2.989896693e+01 1.96 -1.494989889e+00 1.554183177e+01 2.380515760e+01 1.98 -2.034164494e+00 1.194364068e+01 1.863051581e+01 2.00 -2.457309778e+00 8.910230719e+00 1.427739356e+01 2.02 -2.803409315e+00 6.366865177e+00 1.064200482e+01 2.04 -3.096848532e+00 4.240055751e+00 7.621361254e+00 2.06 -3.349781132e+00 2.470997375e+00 5.129845294e+00 2.08 -3.566858026e+00 1.016457284e+00 3.100482688e+00 2.10 -3.750769492e+00 -1.622504113e-01 1.472910683e+00 2.12 -3.903996820e+00 -1.105233474e+00 1.867759684e-01 2.14 -4.028253607e+00 -1.851712173e+00 -8.156817484e-01 2.16 -4.124299751e+00 -2.437106967e+00 -1.586218836e+00 2.18 -4.191907675e+00 -2.892690067e+00 -2.170030217e+00 2.20 -4.230772869e+00 -3.245526425e+00 -2.605541468e+00 2.22 -4.243138795e+00 -3.518403574e+00 -2.924494296e+00 2.24 -4.237465145e+00 -3.729695521e+00 -3.153095277e+00 2.26 -4.227763376e+00 -3.893245773e+00 -3.315336932e+00 2.28 -4.224494155e+00 -4.018446217e+00 -3.437445975e+00 2.30 -4.227364066e+00 -4.110903983e+00 -3.546654518e+00 2.32 -4.229572538e+00 -4.174256186e+00 -3.659960742e+00 2.34 -4.225413692e+00 -4.213963465e+00 -3.777921661e+00 2.36 -4.213300948e+00 -4.238224581e+00 -3.892454894e+00 2.38 -4.193774434e+00 -4.254129276e+00 -3.996431689e+00 2.40 -4.167444672e+00 -4.266215584e+00 -4.087665817e+00 2.42 -4.134885092e+00 -4.278169930e+00 -4.166746433e+00 2.44 -4.096602389e+00 -4.291861492e+00 -4.234322354e+00 2.46 -4.053008242e+00 -4.305858367e+00 -4.290875473e+00 2.48 -4.004374938e+00 -4.316710901e+00 -4.336709114e+00 2.50 -3.950779333e+00 -4.321487415e+00 -4.372108225e+00 2.52 -3.892039797e+00 -4.319309297e+00 -4.397312586e+00 2.54 -3.827670545e+00 -4.310599663e+00 -4.412522961e+00 2.56 -3.756925117e+00 -4.295890754e+00 -4.417871796e+00 2.58 -3.679089366e+00 -4.275666850e+00 -4.413366087e+00 2.60 -3.594248908e+00 -4.250347496e+00 -4.398832199e+00 2.62 -3.504479471e+00 -4.220333991e+00 -4.373916559e+00 2.64 -3.414425000e+00 -4.185990105e+00 -4.338276244e+00 2.66 -3.329588925e+00 -4.147635388e+00 -4.292155275e+00 2.68 -3.252947399e+00 -4.105536432e+00 -4.237401644e+00 2.70 -3.183499559e+00 -4.059920040e+00 -4.178225130e+00 2.72 -3.118039636e+00 -4.010997318e+00 -4.120187156e+00 2.74 -3.053583751e+00 -3.958977595e+00 -4.067280972e+00 2.76 -2.988573602e+00 -3.904079849e+00 -4.019874797e+00 2.78 -2.922704146e+00 -3.846542611e+00 -3.975622239e+00 2.80 -2.855912746e+00 -3.786627368e+00 -3.931731658e+00 2.82 -2.788115178e+00 -3.724605844e+00 -3.886445362e+00 2.84 -2.719191603e+00 -3.660745649e+00 -3.839353556e+00 2.86 -2.648981690e+00 -3.595290478e+00 -3.790577276e+00 2.88 -2.577287747e+00 -3.528419768e+00 -3.740240190e+00 2.90 -2.503892346e+00 -3.460216157e+00 -3.688445139e+00 2.92 -2.428603625e+00 -3.390641732e+00 -3.635267879e+00 2.94 -2.351348938e+00 -3.319543780e+00 -3.580782691e+00 2.96 -2.272431318e+00 -3.246718970e+00 -3.525059833e+00 2.98 -2.193006286e+00 -3.172060382e+00 -3.468165396e+00 3.00 -2.115241114e+00 -3.095751309e+00 -3.410168925e+00 3.02 -2.041538104e+00 -3.018333901e+00 -3.351147763e+00 3.04 -1.973307645e+00 -2.940415851e+00 -3.291189634e+00 3.06 -1.910631445e+00 -2.862100414e+00 -3.230393531e+00 3.08 -1.852809406e+00 -2.782708363e+00 -3.168868006e+00 3.10 -1.799025383e+00 -2.701217004e+00 -3.106726596e+00 3.12 -1.748607523e+00 -2.617196189e+00 -3.044080614e+00 3.14 -1.701003407e+00 -2.531644652e+00 -2.981030011e+00 3.16 -1.655740218e+00 -2.447122101e+00 -2.917653361e+00 3.18 -1.612390112e+00 -2.366770982e+00 -2.853997302e+00 3.20 -1.570546701e+00 -2.292705798e+00 -2.790068547e+00 3.22 -1.529815581e+00 -2.225173034e+00 -2.725836253e+00 3.24 -1.489803618e+00 -2.162849146e+00 -2.661236336e+00 3.26 -1.450142574e+00 -2.103754226e+00 -2.596176820e+00 3.28 -1.410555672e+00 -2.046101247e+00 -2.530537360e+00 3.30 -1.370988428e+00 -1.988849087e+00 -2.464161718e+00 3.32 -1.331784494e+00 -1.931776029e+00 -2.396846008e+00 3.34 -1.293803562e+00 -1.875084611e+00 -2.328366623e+00 3.36 -1.258283956e+00 -1.819315248e+00 -2.258535557e+00 3.38 -1.226374460e+00 -1.765216478e+00 -2.187254783e+00 3.40 -1.198597859e+00 -1.713571066e+00 -2.114573199e+00 3.42 -1.174669285e+00 -1.665090151e+00 -2.040759527e+00 3.44 -1.153764014e+00 -1.620326364e+00 -1.966438479e+00 3.46 -1.134931721e+00 -1.579351315e+00 -1.892800375e+00 3.48 -1.117400812e+00 -1.541713599e+00 -1.821713554e+00 3.50 -1.100709523e+00 -1.506794180e+00 -1.755425188e+00 3.52 -1.084696419e+00 -1.474062998e+00 -1.695777283e+00 3.54 -1.069291566e+00 -1.443128880e+00 -1.643424198e+00 3.56 -1.054436748e+00 -1.413712948e+00 -1.597674576e+00 3.58 -1.040080922e+00 -1.385619330e+00 -1.556970428e+00 3.60 -1.026180963e+00 -1.358720701e+00 -1.519574034e+00 3.62 -1.012702208e+00 -1.332950205e+00 -1.484063026e+00 3.64 -9.996148115e-01 -1.308295247e+00 -1.449551231e+00 3.66 -9.868925525e-01 -1.284787089e+00 -1.415689342e+00 3.68 -9.745118863e-01 -1.262478971e+00 -1.382352944e+00 3.70 -9.624514689e-01 -1.241412513e+00 -1.349490320e+00 3.72 -9.506917988e-01 -1.221585221e+00 -1.317146030e+00 3.74 -9.392149219e-01 -1.202937138e+00 -1.285511136e+00 3.76 -9.280041862e-01 -1.185361967e+00 -1.254990036e+00 3.78 -9.170440361e-01 -1.168731054e+00 -1.226168177e+00 3.80 -9.063198369e-01 -1.152915326e+00 -1.199624364e+00 3.82 -8.958177257e-01 -1.137798402e+00 -1.175651026e+00 3.84 -8.855244808e-01 -1.123281586e+00 -1.154163458e+00 3.86 -8.754274077e-01 -1.109283890e+00 -1.134836207e+00 3.88 -8.655142413e-01 -1.095739685e+00 -1.117283365e+00 3.90 -8.557730550e-01 -1.082595343e+00 -1.101159589e+00 3.92 -8.461921821e-01 -1.069808079e+00 -1.086188652e+00 3.94 -8.367601465e-01 -1.057344690e+00 -1.072159119e+00 3.96 -8.274655945e-01 -1.045177938e+00 -1.058910641e+00 3.98 -8.182972397e-01 -1.033282411e+00 -1.046319886e+00 4.00 -8.092438094e-01 -1.021630981e+00 -1.034290305e+00 4.02 -8.002939969e-01 -1.010207404e+00 -1.022745068e+00 4.04 -7.914364217e-01 -9.989936609e-01 -1.011622084e+00 4.06 -7.826595904e-01 -9.879729919e-01 -1.000870456e+00 4.08 -7.739518682e-01 -9.771297231e-01 -9.904479013e-01 4.10 -7.653014514e-01 -9.664491001e-01 -9.803188558e-01 4.12 -7.566963503e-01 -9.559171601e-01 -9.704530594e-01 4.14 -7.481243752e-01 -9.455206187e-01 -9.608244886e-01 4.16 -7.395731317e-01 -9.352467854e-01 -9.514105377e-01 4.18 -7.310300248e-01 -9.250834945e-01 -9.421913892e-01 4.20 -7.224822698e-01 -9.150190492e-01 -9.331495123e-01 4.22 -7.139169137e-01 -9.050421839e-01 -9.242692732e-01 4.24 -7.053208694e-01 -8.951420330e-01 -9.155366136e-01 4.26 -6.966809597e-01 -8.853081152e-01 -9.069387932e-01 4.28 -6.879839758e-01 -8.755303259e-01 -8.984641772e-01 4.30 -6.792167509e-01 -8.657989369e-01 -8.901020539e-01 4.32 -6.703662469e-01 -8.561046085e-01 -8.818424877e-01 4.34 -6.614196638e-01 -8.464384051e-01 -8.736761866e-01 4.36 -6.523645602e-01 -8.367918210e-01 -8.655943922e-01 4.38 -6.431890005e-01 -8.271568096e-01 -8.575887808e-01 4.40 -6.338817157e-01 -8.175258197e-01 -8.496513791e-01 4.42 -6.244322882e-01 -8.078918335e-01 -8.417744866e-01 4.44 -6.148313546e-01 -7.982484092e-01 -8.339506082e-01 4.46 -6.050708272e-01 -7.885897243e-01 -8.261723919e-01 4.48 -5.951441305e-01 -7.789106155e-01 -8.184324802e-01 4.50 -5.850464500e-01 -7.692066174e-01 -8.107234319e-01 4.52 -5.747749879e-01 -7.594739833e-01 -8.030379190e-01 4.54 -5.643292070e-01 -7.497097008e-01 -7.953690746e-01 4.56 -5.537110262e-01 -7.399115104e-01 -7.877104198e-01 4.58 -5.429249689e-01 -7.300779073e-01 -7.800548234e-01 4.60 -5.319782707e-01 -7.202081311e-01 -7.723937300e-01 4.62 -5.208809075e-01 -7.103021350e-01 -7.647179597e-01 4.64 -5.096455342e-01 -7.003605404e-01 -7.570209361e-01 4.66 -4.982872810e-01 -6.903845649e-01 -7.492947483e-01 4.68 -4.868234064e-01 -6.803759317e-01 -7.415314273e-01 4.70 -4.752727976e-01 -6.703367517e-01 -7.337229548e-01 4.72 -4.636552854e-01 -6.602693856e-01 -7.258612821e-01 4.74 -4.519908910e-01 -6.501762733e-01 -7.179383454e-01 4.76 -4.403000598e-01 -6.400597470e-01 -7.099460951e-01 4.78 -4.286040047e-01 -6.299218102e-01 -7.018765260e-01 4.80 -4.169243614e-01 -6.197638920e-01 -6.937217113e-01 4.82 -4.052827656e-01 -6.095865746e-01 -6.854738519e-01 4.84 -3.937004041e-01 -5.993892863e-01 -6.771253255e-01 4.86 -3.821975500e-01 -5.891699419e-01 -6.686687497e-01 4.88 -3.707930930e-01 -5.789245437e-01 -6.600970528e-01 4.90 -3.595040702e-01 -5.686467521e-01 -6.514035505e-01 4.92 -3.483452054e-01 -5.583274204e-01 -6.425820398e-01 4.94 -3.373284592e-01 -5.479541000e-01 -6.336268980e-01 4.96 -3.264625910e-01 -5.375105393e-01 -6.245331911e-01 4.98 -3.157527297e-01 -5.269762217e-01 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