# 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 = Mo3Ni # 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 2.901848391e+02 nan nan 1.16 2.659586821e+02 nan nan 1.18 2.437857530e+02 nan nan 1.20 2.234697956e+02 nan nan 1.22 2.048352629e+02 nan nan 1.24 1.877235180e+02 nan nan 1.26 1.719911591e+02 nan nan 1.28 1.575106866e+02 2.494864805e+02 2.884722221e+02 1.30 1.441713478e+02 2.303073055e+02 2.668510172e+02 1.32 1.318783464e+02 2.126231089e+02 2.468467477e+02 1.34 1.205502138e+02 1.962968481e+02 2.283151365e+02 1.36 1.101153396e+02 1.812001324e+02 2.111326344e+02 1.38 1.005088666e+02 1.672160890e+02 1.951947333e+02 1.40 9.167038806e+01 1.542419289e+02 1.804112144e+02 1.42 8.354228286e+01 1.421899685e+02 1.667010217e+02 1.44 7.606870166e+01 1.309865382e+02 1.539888382e+02 1.46 6.919537186e+01 1.205692841e+02 1.422036464e+02 1.48 6.287016048e+01 1.108841167e+02 1.312782468e+02 1.50 5.704409771e+01 1.018828922e+02 1.211488388e+02 1.52 5.167247550e+01 9.352216122e+01 1.117546439e+02 1.54 4.671566239e+01 8.576258560e+01 1.030379178e+02 1.56 4.213942941e+01 7.856838222e+01 9.494443074e+01 1.58 3.791476335e+01 7.190647197e+01 8.742416901e+01 1.60 3.401723149e+01 6.574549021e+01 8.043190893e+01 1.62 3.042598086e+01 6.005495494e+01 7.392737815e+01 1.64 2.712327851e+01 5.480472080e+01 6.787490128e+01 1.66 2.409948761e+01 4.996469296e+01 6.224266658e+01 1.68 2.133888156e+01 4.550476650e+01 5.700191352e+01 1.70 1.882343179e+01 4.139497264e+01 5.212634062e+01 1.72 1.653495093e+01 3.760578711e+01 4.759186514e+01 1.74 1.445534171e+01 3.410854390e+01 4.337661685e+01 1.76 1.256688077e+01 3.087592098e+01 3.946089286e+01 1.78 1.085241474e+01 2.788258612e+01 3.582687189e+01 1.80 9.295456729e+00 2.511115120e+01 3.245810355e+01 1.82 7.880242901e+00 2.254512842e+01 2.933894510e+01 1.84 6.591834388e+00 2.016656888e+01 2.645544796e+01 1.86 5.416314304e+00 1.796057454e+01 2.379857310e+01 1.88 4.341050413e+00 1.591499372e+01 2.135361987e+01 1.90 3.354929040e+00 1.401984208e+01 1.910522158e+01 1.92 2.448464263e+00 1.226661704e+01 1.703817490e+01 1.94 1.613746428e+00 1.064766730e+01 1.513742315e+01 1.96 8.442669638e-01 9.155722157e+00 1.338810516e+01 1.98 1.346907622e-01 7.783604799e+00 1.177572318e+01 2.00 -5.193705890e-01 6.524092471e+00 1.028645156e+01 2.02 -1.121570021e+00 5.369865386e+00 8.907546079e+00 2.04 -1.675024500e+00 4.313501789e+00 7.627753441e+00 2.06 -2.182498082e+00 3.347505603e+00 6.437597427e+00 2.08 -2.646551959e+00 2.464373814e+00 5.329454168e+00 2.10 -3.069647766e+00 1.656713593e+00 4.297404477e+00 2.12 -3.454203349e+00 9.174057554e-01 3.336922537e+00 2.14 -3.802611247e+00 2.397904963e-01 2.444491468e+00 2.16 -4.117233962e+00 -3.821643280e-01 1.617226960e+00 2.18 -4.400387995e+00 -9.537525469e-01 8.525613011e-01 2.20 -4.654324030e+00 -1.479500374e+00 1.480113984e-01 2.22 -4.881206093e+00 -1.963217036e+00 -4.989659311e-01 2.24 -5.083089723e+00 -2.408102563e+00 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-6.005732899e+00 -5.603545668e+00 2.62 -5.810078650e+00 -6.043286439e+00 -5.666868539e+00 2.64 -5.722946608e+00 -6.069646203e+00 -5.720734173e+00 2.66 -5.623899771e+00 -6.085535092e+00 -5.766221014e+00 2.68 -5.513142382e+00 -6.091643194e+00 -5.804296500e+00 2.70 -5.391066488e+00 -6.088645667e+00 -5.835755268e+00 2.72 -5.258276912e+00 -6.077139374e+00 -5.861255510e+00 2.74 -5.115615155e+00 -6.057338319e+00 -5.881350756e+00 2.76 -4.964172582e+00 -6.029350589e+00 -5.896514170e+00 2.78 -4.805283372e+00 -5.993219279e+00 -5.907154862e+00 2.80 -4.640490279e+00 -5.949033810e+00 -5.913471558e+00 2.82 -4.471481270e+00 -5.896946395e+00 -5.915244148e+00 2.84 -4.300001576e+00 -5.837162620e+00 -5.912243119e+00 2.86 -4.127752031e+00 -5.769915905e+00 -5.904282952e+00 2.88 -3.956288709e+00 -5.695330872e+00 -5.891199662e+00 2.90 -3.786939488e+00 -5.613551729e+00 -5.872833142e+00 2.92 -3.620749917e+00 -5.524827652e+00 -5.849014218e+00 2.94 -3.458464707e+00 -5.429511574e+00 -5.819556411e+00 2.96 -3.300544178e+00 -5.328051776e+00 -5.784223115e+00 2.98 -3.147208955e+00 -5.220974926e+00 -5.742665520e+00 3.00 -2.998502329e+00 -5.108860510e+00 -5.694514507e+00 3.02 -2.854358452e+00 -4.992308551e+00 -5.639407803e+00 3.04 -2.714665477e+00 -4.871904180e+00 -5.576997144e+00 3.06 -2.579315383e+00 -4.748183565e+00 -5.506957180e+00 3.08 -2.448235685e+00 -4.621605644e+00 -5.428994932e+00 3.10 -2.321401921e+00 -4.492533073e+00 -5.342858673e+00 3.12 -2.198833198e+00 -4.361224176e+00 -5.248345398e+00 3.14 -2.080575538e+00 -4.227835921e+00 -5.145306422e+00 3.16 -1.966679121e+00 -4.092436569e+00 -5.033651241e+00 3.18 -1.857175487e+00 -3.955025836e+00 -4.913350365e+00 3.20 -1.752059647e+00 -3.815560162e+00 -4.784438365e+00 3.22 -1.651280168e+00 -3.673980942e+00 -4.647018729e+00 3.24 -1.554738199e+00 -3.530243916e+00 -4.501272025e+00 3.26 -1.462294609e+00 -3.384348326e+00 -4.347468416e+00 3.28 -1.373783123e+00 -3.236364572e+00 -4.185984628e+00 3.30 -1.289026696e+00 -3.086459107e+00 -4.017324293e+00 3.32 -1.207854365e+00 -2.934915077e+00 -3.842139347e+00 3.34 -1.130116116e+00 -2.782146978e+00 -3.661249129e+00 3.36 -1.055693977e+00 -2.628707485e+00 -3.475653212e+00 3.38 -9.845082115e-01 -2.475284732e+00 -3.286533906e+00 3.40 -9.165182304e-01 -2.322688847e+00 -3.095245069e+00 3.42 -8.517185051e-01 -2.171827479e+00 -2.903285165e+00 3.44 -7.901303286e-01 -2.023671308e+00 -2.712254538e+00 3.46 -7.317906918e-01 -1.879211854e+00 -2.523799128e+00 3.48 -6.767397854e-01 -1.739415168e+00 -2.339545110e+00 3.50 -6.250086715e-01 -1.605175705e+00 -2.161030587e+00 3.52 -5.766084976e-01 -1.477274821e+00 -1.989641159e+00 3.54 -5.315222825e-01 -1.356347743e+00 -1.826555786e+00 3.56 -4.896998641e-01 -1.242861694e+00 -1.672707841e+00 3.58 -4.510561290e-01 -1.137106334e+00 -1.528764082e+00 3.60 -4.154722370e-01 -1.039196153e+00 -1.395121841e+00 3.62 -3.827992588e-01 -9.490831594e-01 -1.271922570e+00 3.64 -3.528634930e-01 -8.665773611e-01 -1.159078310e+00 3.66 -3.254727070e-01 -7.913721942e-01 -1.056306882e+00 3.68 -3.004225187e-01 -7.230721265e-01 -9.631714937e-01 3.70 -2.775026825e-01 -6.612200833e-01 -8.791209755e-01 3.72 -2.565031226e-01 -6.053229039e-01 -8.035276873e-01 3.74 -2.372182376e-01 -5.548736442e-01 -7.357210803e-01 3.76 -2.194509297e-01 -5.093700740e-01 -6.750158146e-01 3.78 -2.030158707e-01 -4.683291400e-01 -6.207340828e-01 3.80 -1.877421105e-01 -4.312974571e-01 -5.722223417e-01 3.82 -1.734751823e-01 -3.978580775e-01 -5.288630176e-01 3.84 -1.600788319e-01 -3.676339067e-01 -4.900819359e-01 3.86 -1.474364466e-01 -3.402882271e-01 -4.553522888e-01 3.88 -1.354521800e-01 -3.155228707e-01 -4.241959257e-01 3.90 -1.240516818e-01 -2.930746720e-01 -3.961826685e-01 3.92 -1.131822638e-01 -2.727108818e-01 -3.709282500e-01 3.94 -1.028122767e-01 -2.542242296e-01 -3.480913590e-01 3.96 -9.292948229e-02 -2.374282390e-01 -3.273701689e-01 3.98 -8.353828214e-02 -2.221532427e-01 -3.084986356e-01 4.00 -7.465581877e-02 -2.082433322e-01 -2.912427667e-01 4.02 -6.630717530e-02 -1.955542725e-01 -2.753970076e-01 4.04 -5.852012441e-02 -1.839522575e-01 -2.607808342e-01 4.06 -5.131995649e-02 -1.733131588e-01 -2.472356117e-01 4.08 -4.472504079e-02 -1.635222521e-01 -2.346217536e-01 4.10 -3.874357810e-02 -1.544744400e-01 -2.228161909e-01 4.12 -3.337191498e-02 -1.460736995e-01 -2.117099707e-01 4.14 -2.859435525e-02 -1.382328255e-01 -2.012067554e-01 4.16 -2.438408292e-02 -1.308729220e-01 -1.912211538e-01 4.18 -2.070475509e-02 -1.239237786e-01 -1.816772065e-01 4.20 -1.751507504e-02 -1.173228819e-01 -1.725074361e-01 4.22 -1.476976788e-02 -1.110149442e-01 -1.636521698e-01 4.24 -1.242185049e-02 -1.049516251e-01 -1.550591339e-01 4.26 -1.042476578e-02 -9.909132505e-02 -1.466833084e-01 4.28 -8.733986963e-03 -9.339908116e-02 -1.384870208e-01 4.30 -7.308105984e-03 -8.784657011e-02 -1.304402401e-01 4.32 -6.109472162e-03 -8.241219932e-02 -1.225210087e-01 4.34 -5.104470507e-03 -7.708124038e-02 -1.147159263e-01 4.36 -4.263532389e-03 -7.184593696e-02 -1.070205727e-01 4.38 -3.560962838e-03 -6.670550075e-02 -9.943973382e-02 4.40 -2.974653744e-03 -6.166590140e-02 -9.198729015e-02 4.42 -2.485736702e-03 -5.673936257e-02 -8.468563554e-02 4.44 -2.078213867e-03 -5.194350166e-02 -7.756453538e-02 4.46 -1.738593170e-03 -4.730009291e-02 -7.065939598e-02 4.48 -1.455544228e-03 -4.283350521e-02 -6.400902526e-02 4.50 -1.219584064e-03 -3.856889604e-02 -5.765301217e-02 4.52 -1.022796781e-03 -3.453033001e-02 -5.162897512e-02 4.54 -8.585879519e-04 -3.073900672e-02 -4.596996401e-02 4.56 -7.214721917e-04 -2.721176045e-02 -4.070225790e-02 4.58 -6.068914897e-04 -2.396001540e-02 -3.584383627e-02 4.60 -5.110610474e-04 -2.098924006e-02 -3.140359522e-02 4.62 -4.308393294e-04 -1.829891153e-02 -2.738132070e-02 4.64 -3.636190614e-04 -1.588270028e-02 -2.376803089e-02 4.66 -3.072361790e-04 -1.372943833e-02 -2.054729659e-02 4.68 -2.598940035e-04 -1.182477499e-02 -1.769790659e-02 4.70 -2.201002411e-04 -1.015143913e-02 -1.519422926e-02 4.72 -1.866147328e-04 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-2.283469577e-06 -3.416096766e-06 5.80 -1.032717552e-07 -1.988194345e-06 -2.974314621e-06 5.82 -9.166491024e-08 -1.732205569e-06 -2.591317805e-06 5.84 -8.140415177e-08 -1.510131008e-06 -2.259066900e-06 5.86 -7.232830787e-08 -1.317352615e-06 -1.970651222e-06 5.88 -6.429613677e-08 -1.149897956e-06 -1.720126310e-06 5.90 -5.718378126e-08 -1.004347648e-06 -1.502375377e-06 5.92 -5.088255895e-08 -8.777563832e-07 -1.312991121e-06 5.94 -4.529704259e-08 -7.675855162e-07 -1.148174816e-06 5.96 -4.034339098e-08 -6.716454682e-07 -1.004650117e-06 5.98 -3.594789700e-08 -5.880464911e-07 -8.795893693e-07 6.00 -3.204572335e-08 -5.151565484e-07 -7.705505726e-07