# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1985--Foiles-S-M--Ni-Cu # implementation = 1985--Foiles-S-M--Ni-Cu--LAMMPS--ipr1 # composition = Ni # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 6.919354726e+02 nan 0.66 nan nan nan nan nan nan nan nan 6.286258029e+02 nan 0.68 nan nan nan nan nan nan nan nan 5.732580748e+02 nan 0.70 nan nan nan nan nan 4.326811997e+02 nan nan 5.243944330e+02 nan 0.72 nan nan nan nan nan 3.916958066e+02 nan nan 4.808875682e+02 nan 0.74 nan nan nan nan nan 3.559112547e+02 nan nan 4.418635975e+02 nan 0.76 nan nan nan nan nan 3.245416967e+02 nan nan 4.066400487e+02 nan 0.78 nan nan nan 7.000830226e+02 7.000487450e+02 2.968903029e+02 nan nan 3.746463373e+02 5.076702022e+02 0.80 nan 4.849433848e+02 nan 6.549302950e+02 6.549000123e+02 2.724078530e+02 4.843548684e+02 nan 3.454438843e+02 4.716125448e+02 0.82 nan 4.534977623e+02 nan 6.144021006e+02 6.143771976e+02 2.505921876e+02 4.515190635e+02 nan 3.186755561e+02 4.386368413e+02 0.84 nan 4.239859215e+02 nan 5.775966715e+02 5.775798832e+02 2.310303344e+02 4.210703549e+02 nan 2.940497719e+02 4.082751793e+02 0.86 nan 3.961463991e+02 nan 5.437930504e+02 5.437866215e+02 2.134017927e+02 3.926825489e+02 nan 2.713265168e+02 3.801857374e+02 0.88 nan 3.697880283e+02 nan 5.124227700e+02 5.124174096e+02 1.974359739e+02 3.661047436e+02 4.867265934e+02 2.503229317e+02 3.541009158e+02 0.90 4.830849097e+02 3.447919525e+02 4.481931105e+02 4.830820159e+02 4.830769384e+02 1.828926664e+02 3.411639214e+02 4.583308666e+02 2.308789472e+02 3.297627766e+02 0.92 4.554602602e+02 3.210693366e+02 4.214784240e+02 4.554481406e+02 4.554467773e+02 1.695824845e+02 3.177039963e+02 4.314763364e+02 2.128519555e+02 3.070085031e+02 0.94 4.292731543e+02 2.985451456e+02 3.960762277e+02 4.292680960e+02 4.292691099e+02 1.573383304e+02 2.956101952e+02 4.059618078e+02 1.961299866e+02 2.856964101e+02 0.96 4.043705357e+02 2.771875164e+02 3.718846362e+02 4.043685866e+02 4.043742459e+02 1.460390556e+02 2.747966493e+02 3.816540586e+02 1.806064215e+02 2.656862628e+02 0.98 3.806062320e+02 2.569470415e+02 3.487922598e+02 3.806228539e+02 3.806333207e+02 1.355694345e+02 2.551757545e+02 3.584526653e+02 1.661911872e+02 2.469013482e+02 1.00 3.579123712e+02 2.377963886e+02 3.267483269e+02 3.579347127e+02 3.579474313e+02 1.258342516e+02 2.366832853e+02 3.362972229e+02 1.528042686e+02 2.292597220e+02 1.02 3.362078776e+02 2.197169180e+02 3.057089822e+02 3.362281091e+02 3.362430881e+02 1.167753316e+02 2.192691672e+02 3.151268069e+02 1.403739684e+02 2.127007771e+02 1.04 3.154513552e+02 2.026863090e+02 2.856397857e+02 3.154645362e+02 3.154791406e+02 1.083263147e+02 2.029000201e+02 2.949005484e+02 1.288382379e+02 1.971512528e+02 1.06 2.956034513e+02 1.866620206e+02 2.665291042e+02 2.956119401e+02 2.956233832e+02 1.004363206e+02 1.875248427e+02 2.756011565e+02 1.181371660e+02 1.825495035e+02 1.08 2.766432254e+02 1.716267897e+02 2.483567679e+02 2.766480962e+02 2.766575961e+02 9.306325214e+01 1.730985196e+02 2.572043570e+02 1.082126600e+02 1.688501079e+02 1.10 2.585535300e+02 1.575412436e+02 2.310770285e+02 2.585554619e+02 2.585649181e+02 8.615611285e+01 1.595767517e+02 2.396942065e+02 9.901552700e+01 1.560103578e+02 1.12 2.413017176e+02 1.443747198e+02 2.146883891e+02 2.413119573e+02 2.413230713e+02 7.968646205e+01 1.469215910e+02 2.230471566e+02 9.049795264e+01 1.439852320e+02 1.14 2.248909288e+02 1.321013001e+02 1.991745031e+02 2.249063754e+02 2.249178425e+02 7.362739269e+01 1.350982518e+02 2.072591419e+02 8.262123963e+01 1.327342861e+02 1.16 2.093075058e+02 1.206773086e+02 1.845216664e+02 2.093212182e+02 2.093328309e+02 6.796420132e+01 1.240616838e+02 1.923099720e+02 7.534310392e+01 1.222178141e+02 1.18 1.945268692e+02 1.100564610e+02 1.706902981e+02 1.945434191e+02 1.945568164e+02 6.266594978e+01 1.137754047e+02 1.781833682e+02 6.862158053e+01 1.123912491e+02 1.20 1.805430849e+02 1.002108670e+02 1.576746335e+02 1.805605503e+02 1.805757675e+02 5.771726320e+01 1.041961243e+02 1.648584978e+02 6.242181788e+01 1.032299269e+02 1.22 1.673364220e+02 9.109851854e+01 1.454496137e+02 1.673532544e+02 1.673682504e+02 5.309816264e+01 9.528898025e+01 1.523184492e+02 5.670151539e+01 9.470008555e+01 1.24 1.548881036e+02 8.266849301e+01 1.339888864e+02 1.548990247e+02 1.549111575e+02 4.879218827e+01 8.702078656e+01 1.405344644e+02 5.143243981e+01 8.676818482e+01 1.26 1.431591890e+02 7.489101004e+01 1.232599535e+02 1.431718142e+02 1.431827293e+02 4.478196320e+01 7.935956248e+01 1.294768983e+02 4.658480304e+01 7.940057939e+01 1.28 1.321432716e+02 6.772894316e+01 1.132247018e+02 1.321519075e+02 1.321603486e+02 4.104813609e+01 7.226997013e+01 1.191234275e+02 4.212858513e+01 7.256459612e+01 1.30 1.218136918e+02 6.114295869e+01 1.038605742e+02 1.218177270e+02 1.218239828e+02 3.757616786e+01 6.571384020e+01 1.094425841e+02 3.803382668e+01 6.621463411e+01 1.32 1.121428746e+02 5.508896218e+01 9.513656501e+01 1.121392045e+02 1.121435248e+02 3.435022480e+01 5.965905446e+01 1.004042570e+02 3.427627547e+01 6.033445963e+01 1.34 1.030917940e+02 4.952829620e+01 8.701722285e+01 1.030877204e+02 1.030912193e+02 3.135257723e+01 5.407403731e+01 9.197558206e+01 3.083334578e+01 5.489365677e+01 1.36 9.463105492e+01 4.443476917e+01 7.947674614e+01 9.463412791e+01 9.463794873e+01 2.857560145e+01 4.892704382e+01 8.412887305e+01 2.767747086e+01 4.986390069e+01 1.38 8.674620805e+01 3.977584922e+01 7.248313150e+01 8.675280123e+01 8.675685767e+01 2.600568096e+01 4.419078116e+01 7.683759772e+01 2.478944940e+01 4.522318974e+01 1.40 7.940231923e+01 3.551763787e+01 6.599801304e+01 7.941346195e+01 7.941907842e+01 2.362979900e+01 3.983354469e+01 7.007077906e+01 2.215017879e+01 4.094395126e+01 1.42 7.257459080e+01 3.163038533e+01 5.998485134e+01 7.258645116e+01 7.259249250e+01 2.142989965e+01 3.582789841e+01 6.379925847e+01 1.973800557e+01 3.700316822e+01 1.44 6.623661509e+01 2.808192319e+01 5.442560527e+01 6.624631730e+01 6.625222800e+01 1.939859397e+01 3.215512697e+01 5.799204062e+01 1.753622171e+01 3.337838706e+01 1.46 6.035550083e+01 2.484734223e+01 4.929545383e+01 6.036457914e+01 6.037094835e+01 1.752661458e+01 2.879100051e+01 5.262200653e+01 1.553104056e+01 3.004283893e+01 1.48 5.490673511e+01 2.190548676e+01 4.456448692e+01 5.491588210e+01 5.492294727e+01 1.580118478e+01 2.571271895e+01 4.766384659e+01 1.370603435e+01 2.697858182e+01 1.50 4.986660177e+01 1.923345421e+01 4.020641077e+01 4.987425277e+01 4.988190757e+01 1.421248578e+01 2.289794418e+01 4.309170227e+01 1.204481250e+01 2.416878435e+01 1.52 4.520866727e+01 1.680924497e+01 3.619758489e+01 4.521309094e+01 4.522124546e+01 1.275264711e+01 2.032517059e+01 3.887730422e+01 1.053464121e+01 2.159409474e+01 1.54 4.090297533e+01 1.461241903e+01 3.251373045e+01 4.090765698e+01 4.091623417e+01 1.141242459e+01 1.797766707e+01 3.499523604e+01 9.163758266e+00 1.923173492e+01 1.56 3.693292851e+01 1.262329810e+01 2.913186145e+01 3.693501072e+01 3.694113461e+01 1.018311414e+01 1.583647386e+01 3.142597527e+01 7.921809115e+00 1.707229690e+01 1.58 3.327596960e+01 1.082058867e+01 2.603027414e+01 3.327512120e+01 3.327844482e+01 9.056535293e+00 1.388425267e+01 2.814710236e+01 6.798245366e+00 1.510035309e+01 1.60 2.990926253e+01 9.191337775e+00 2.318699875e+01 2.990666932e+01 2.990752416e+01 8.024427928e+00 1.210909967e+01 2.513768413e+01 5.783031243e+00 1.330005720e+01 1.62 2.680676403e+01 7.720970029e+00 2.057853611e+01 2.680599777e+01 2.680629884e+01 7.076926709e+00 1.049518731e+01 2.237548893e+01 4.865757161e+00 1.165393944e+01 1.64 2.395619939e+01 6.397055181e+00 1.819218414e+01 2.395778907e+01 2.395759858e+01 6.146161261e+00 9.029854131e+00 1.984650677e+01 4.038653710e+00 1.015444854e+01 1.66 2.134075542e+01 5.207055936e+00 1.601247678e+01 2.134432087e+01 2.134368222e+01 5.346456355e+00 7.700594178e+00 1.753356521e+01 3.294126045e+00 8.791229702e+00 1.68 1.894330217e+01 4.139185031e+00 1.402354605e+01 1.894600614e+01 1.894495758e+01 4.601981070e+00 6.496481531e+00 1.542032457e+01 2.559548001e+00 7.553334750e+00 1.70 1.674752524e+01 3.182129328e+00 1.220962486e+01 1.674906634e+01 1.674776338e+01 3.909069313e+00 5.405845841e+00 1.349135676e+01 1.950052147e+00 6.430118722e+00 1.72 1.473731334e+01 2.323832627e+00 1.055269989e+01 1.473847515e+01 1.473759971e+01 3.260919607e+00 4.421335837e+00 1.173171505e+01 1.388463192e+00 5.410045421e+00 1.74 1.290006583e+01 1.558127847e+00 9.045855442e+00 1.290088026e+01 1.290037493e+01 2.662512855e+00 3.534673259e+00 1.012911658e+01 8.720111935e-01 4.487340380e+00 1.76 1.122262356e+01 8.754713218e-01 7.677118664e+00 1.122311923e+01 1.122293418e+01 2.112391642e+00 2.737279602e+00 8.668195426e+00 3.980086926e-01 3.653896258e+00 1.78 9.692719196e+00 2.673374953e-01 6.435388345e+00 9.692337001e+00 9.692429039e+00 1.604154548e+00 2.020979315e+00 7.339552402e+00 -3.421207288e-02 2.902221502e+00 1.80 8.298931144e+00 -2.744980715e-01 5.310381513e+00 8.296830713e+00 8.297162454e+00 1.135328500e+00 1.379210335e+00 6.130769644e+00 -4.273080321e-01 2.225399274e+00 1.82 7.027094020e+00 -7.648417720e-01 4.292581623e+00 7.024776744e+00 7.025758830e+00 7.035344149e-01 8.056078378e-01 5.031923979e+00 -7.884785045e-01 1.617048396e+00 1.84 5.862974443e+00 -1.245899175e+00 3.373188640e+00 5.863559394e+00 5.866152621e+00 3.064933241e-01 2.297652441e-01 4.036436220e+00 -1.116991533e+00 1.006841105e+00 1.86 4.806496611e+00 -1.635684648e+00 2.543777172e+00 4.809606482e+00 4.813566757e+00 -5.797003109e-02 -2.337320324e-01 3.137035667e+00 -1.415361690e+00 5.091582786e-01 1.88 3.849035042e+00 -1.989590019e+00 1.791681772e+00 3.853038451e+00 3.856852531e+00 -3.919256145e-01 -6.595990960e-01 2.325790726e+00 -1.686236573e+00 5.082790166e-02 1.90 2.982604532e+00 -2.309966244e+00 1.116000728e+00 2.987407865e+00 2.991086993e+00 -6.973381280e-01 -1.049930945e+00 1.595378469e+00 -1.930453095e+00 -3.704706322e-01 1.92 2.199817747e+00 -2.597776880e+00 5.066403127e-01 2.204428847e+00 2.207983612e+00 -9.777599784e-01 -1.407828925e+00 9.386792387e-01 -2.149858672e+00 -7.569591503e-01 1.94 1.493844738e+00 -2.852392778e+00 -4.034837433e-02 1.497780953e+00 1.501221300e+00 -1.234022439e+00 -1.732470248e+00 3.486832267e-01 -2.346194410e+00 -1.109486021e+00 1.96 8.583352426e-01 -3.080310353e+00 -5.282907061e-01 8.616704891e-01 8.650057356e-01 -1.466787442e+00 -2.023414130e+00 -1.793927328e-01 -2.521141755e+00 -1.427683655e+00 1.98 2.857121552e-01 -3.283312091e+00 -9.622861633e-01 2.889510159e-01 2.921898765e-01 -1.676124132e+00 -2.286920383e+00 -6.504974724e-01 -2.677183805e+00 -1.722777136e+00 2.00 -2.274422769e-01 -3.463082786e+00 -1.415538145e+00 -2.242916627e-01 -2.211410485e-01 -1.864481339e+00 -2.524753248e+00 -1.069522043e+00 -2.814610697e+00 -1.990869301e+00 2.02 -6.861110916e-01 -3.621213676e+00 -1.771586539e+00 -6.832912519e-01 -6.804714121e-01 -2.034005096e+00 -2.738585493e+00 -1.510879787e+00 -2.934092897e+00 -2.233702053e+00 2.04 -1.094889767e+00 -3.759206798e+00 -2.097060075e+00 -1.093456466e+00 -1.092023165e+00 -2.185995397e+00 -2.930001111e+00 -1.856826786e+00 -3.037750340e+00 -2.452923469e+00 2.06 -1.527955143e+00 -3.879307503e+00 -2.393819929e+00 -1.527764621e+00 -1.527574099e+00 -2.321672483e+00 -3.100498295e+00 -2.174440530e+00 -3.127190287e+00 -2.650091065e+00 2.08 -1.866422691e+00 -3.982344466e+00 -2.663728115e+00 -1.867344055e+00 -1.868265419e+00 -2.442278768e+00 -3.251492593e+00 -2.464074762e+00 -3.203889190e+00 -2.826675276e+00 2.10 -2.176425545e+00 -4.069780742e+00 -2.906191362e+00 -2.178344601e+00 -2.180263656e+00 -2.549904750e+00 -3.385246804e+00 -2.727437093e+00 -3.268012615e+00 -2.984063066e+00 2.12 -2.459644445e+00 -4.143884586e+00 -3.123486904e+00 -2.462461051e+00 -2.465277657e+00 -2.644341592e+00 -3.502688771e+00 -2.962423589e+00 -3.320549390e+00 -3.123561600e+00 2.14 -2.717674516e+00 -4.203868814e+00 -3.318907444e+00 -2.721300371e+00 -2.724926226e+00 -2.726541650e+00 -3.604276806e+00 -3.173998658e+00 -3.362570593e+00 -3.246403125e+00 2.16 -2.952023183e+00 -4.249576341e+00 -3.493822215e+00 -2.955581627e+00 -2.959140072e+00 -2.797396008e+00 -3.691144741e+00 -3.366416448e+00 -3.394807548e+00 -3.356916553e+00 2.18 -3.164126699e+00 -4.283443682e+00 -3.649529078e+00 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