# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = NiPd # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan 8.912584502e+02 8.912584502e+02 nan nan 0.76 nan nan nan nan 7.950431517e+02 7.950431517e+02 nan nan 0.78 nan nan nan nan 7.097760115e+02 7.097760115e+02 nan nan 0.80 nan nan nan nan 6.341375830e+02 6.341375830e+02 nan nan 0.82 nan nan nan nan 5.669741130e+02 5.669741130e+02 nan nan 0.84 nan nan nan nan 5.072900694e+02 5.072900694e+02 nan nan 0.86 7.699486517e+02 7.699486517e+02 nan nan 4.542261371e+02 4.542261371e+02 nan nan 0.88 6.934129590e+02 6.934129590e+02 nan nan 4.070233782e+02 4.070233782e+02 nan nan 0.90 6.249405259e+02 6.249405259e+02 nan nan 3.650120328e+02 3.650120328e+02 nan nan 0.92 5.636506771e+02 5.636506771e+02 nan nan 3.276061340e+02 3.276061340e+02 nan nan 0.94 5.087602819e+02 5.087602819e+02 nan nan 2.942843028e+02 2.942843028e+02 nan nan 0.96 4.595693252e+02 4.595693252e+02 6.530920481e+02 6.530920481e+02 2.645913237e+02 2.645913237e+02 6.984774746e+02 6.984774746e+02 0.98 4.154745092e+02 4.154745092e+02 5.933866029e+02 5.933866029e+02 2.381199075e+02 2.381199075e+02 6.361292360e+02 6.361292360e+02 1.00 3.759188314e+02 3.759188314e+02 5.396196517e+02 5.396196517e+02 2.145056712e+02 2.145056712e+02 5.799151217e+02 5.799151217e+02 1.02 3.404248444e+02 3.404248444e+02 4.911604322e+02 4.911604322e+02 1.934328944e+02 1.934328944e+02 5.291806416e+02 5.291806416e+02 1.04 3.085523659e+02 3.085523659e+02 4.474561343e+02 4.474561343e+02 1.746177646e+02 1.746177646e+02 4.833434350e+02 4.833434350e+02 1.06 2.799185236e+02 2.799185236e+02 4.080140769e+02 4.080140769e+02 1.578080854e+02 1.578080854e+02 4.418881712e+02 4.418881712e+02 1.08 2.541743680e+02 2.541743680e+02 3.723851782e+02 3.723851782e+02 1.427774558e+02 1.427774558e+02 4.043587171e+02 4.043587171e+02 1.10 2.310132860e+02 2.310132860e+02 3.401782245e+02 3.401782245e+02 1.293285861e+02 1.293285861e+02 3.703518183e+02 3.703518183e+02 1.12 2.101619461e+02 2.101619461e+02 3.110360188e+02 3.110360188e+02 1.172815935e+02 1.172815935e+02 3.395052433e+02 3.395052433e+02 1.14 1.913716990e+02 1.913716990e+02 2.846402065e+02 2.846402065e+02 1.064785810e+02 1.064785810e+02 3.114947377e+02 3.114947377e+02 1.16 1.744221939e+02 1.744221939e+02 2.607135668e+02 2.607135668e+02 9.678505602e+01 9.678505602e+01 2.860341970e+02 2.860341970e+02 1.18 1.591180533e+02 1.591180533e+02 2.390022398e+02 2.390022398e+02 8.807676957e+01 8.807676957e+01 2.628653060e+02 2.628653060e+02 1.20 1.452884820e+02 1.452884820e+02 2.192807990e+02 2.192807990e+02 8.024292242e+01 8.024292242e+01 2.417593869e+02 2.417593869e+02 1.22 1.327766913e+02 1.327766913e+02 2.013435448e+02 2.013435448e+02 7.318382748e+01 7.318382748e+01 2.225100597e+02 2.225100597e+02 1.24 1.214438192e+02 1.214438192e+02 1.850159118e+02 1.850159118e+02 6.681660703e+01 6.681660703e+01 2.049361586e+02 2.049361586e+02 1.26 1.111678125e+02 1.111678125e+02 1.701353574e+02 1.701353574e+02 6.106497949e+01 6.106497949e+01 1.888738425e+02 1.888738425e+02 1.28 1.018386080e+02 1.018386080e+02 1.565567297e+02 1.565567297e+02 5.586139034e+01 5.586139034e+01 1.741752443e+02 1.741752443e+02 1.30 9.335032975e+01 9.335032975e+01 1.441501601e+02 1.441501601e+02 5.114446866e+01 5.114446866e+01 1.607095409e+02 1.607095409e+02 1.32 8.562362593e+01 8.562362593e+01 1.328022019e+02 1.328022019e+02 4.686170047e+01 4.686170047e+01 1.483599268e+02 1.483599268e+02 1.34 7.858242461e+01 7.858242461e+01 1.224096962e+02 1.224096962e+02 4.296570444e+01 4.296570444e+01 1.370199029e+02 1.370199029e+02 1.36 7.215729127e+01 7.215729127e+01 1.128827722e+02 1.128827722e+02 3.941744019e+01 3.941744019e+01 1.265943039e+02 1.265943039e+02 1.38 6.628659114e+01 6.628659114e+01 1.041388835e+02 1.041388835e+02 3.618021207e+01 3.618021207e+01 1.170003377e+02 1.170003377e+02 1.40 6.091472690e+01 6.091472690e+01 9.610147773e+01 9.610147773e+01 3.322156207e+01 3.322156207e+01 1.081634702e+02 1.081634702e+02 1.42 5.599322240e+01 5.599322240e+01 8.870476522e+01 8.870476522e+01 3.051179240e+01 3.051179240e+01 1.000135365e+02 1.000135365e+02 1.44 5.147838973e+01 5.147838973e+01 8.189290073e+01 8.189290073e+01 2.802663790e+01 2.802663790e+01 9.248882647e+01 9.248882647e+01 1.46 4.733182295e+01 4.733182295e+01 7.561281389e+01 7.561281389e+01 2.574356507e+01 2.574356507e+01 8.553704889e+01 8.553704889e+01 1.48 4.351798600e+01 4.351798600e+01 6.981627383e+01 6.981627383e+01 2.363659580e+01 2.363659580e+01 7.910773385e+01 7.910773385e+01 1.50 4.000628437e+01 4.000628437e+01 6.446106803e+01 6.446106803e+01 2.170432119e+01 2.170432119e+01 7.315694642e+01 7.315694642e+01 1.52 3.676977283e+01 3.676977283e+01 5.950960857e+01 5.950960857e+01 1.992587303e+01 1.992587303e+01 6.764528876e+01 6.764528876e+01 1.54 3.378175111e+01 3.378175111e+01 5.492728363e+01 5.492728363e+01 1.828753255e+01 1.828753255e+01 6.253634488e+01 6.253634488e+01 1.56 3.102268584e+01 3.102268584e+01 5.068169411e+01 5.068169411e+01 1.677635966e+01 1.677635966e+01 5.779689199e+01 5.779689199e+01 1.58 2.847269450e+01 2.847269450e+01 4.674494292e+01 4.674494292e+01 1.532244228e+01 1.532244228e+01 5.339743467e+01 5.339743467e+01 1.60 2.611372454e+01 2.611372454e+01 4.309392494e+01 4.309392494e+01 1.397199145e+01 1.397199145e+01 4.931120280e+01 4.931120280e+01 1.62 2.392829701e+01 2.392829701e+01 3.970556806e+01 3.970556806e+01 1.268573298e+01 1.268573298e+01 4.551417234e+01 4.551417234e+01 1.64 2.190372776e+01 2.190372776e+01 3.655919922e+01 3.655919922e+01 1.146350303e+01 1.146350303e+01 4.198442577e+01 4.198442577e+01 1.66 2.002175765e+01 2.002175765e+01 3.363617157e+01 3.363617157e+01 1.030508080e+01 1.030508080e+01 3.870113633e+01 3.870113633e+01 1.68 1.828547331e+01 1.828547331e+01 3.091946214e+01 3.091946214e+01 9.209872657e+00 9.209872657e+00 3.564639497e+01 3.564639497e+01 1.70 1.663883409e+01 1.663883409e+01 2.839322125e+01 2.839322125e+01 8.176723101e+00 8.176723101e+00 3.280376943e+01 3.280376943e+01 1.72 1.512894302e+01 1.512894302e+01 2.604176511e+01 2.604176511e+01 7.203313690e+00 7.203313690e+00 3.015722810e+01 3.015722810e+01 1.74 1.369319550e+01 1.369319550e+01 2.385439393e+01 2.385439393e+01 6.290056249e+00 6.290056249e+00 2.769281656e+01 2.769281656e+01 1.76 1.233104730e+01 1.233104730e+01 2.181921497e+01 2.181921497e+01 5.435283109e+00 5.435283109e+00 2.539813461e+01 2.539813461e+01 1.78 1.104058090e+01 1.104058090e+01 1.991880155e+01 1.991880155e+01 4.637917304e+00 4.637917304e+00 2.326070610e+01 2.326070610e+01 1.80 9.821508399e+00 9.821508399e+00 1.815485116e+01 1.815485116e+01 3.895484043e+00 3.895484043e+00 2.126883828e+01 2.126883828e+01 1.82 8.672991256e+00 8.672991256e+00 1.647023725e+01 1.647023725e+01 3.205468362e+00 3.205468362e+00 1.940713662e+01 1.940713662e+01 1.84 7.593345793e+00 7.593345793e+00 1.491066011e+01 1.491066011e+01 2.565766871e+00 2.565766871e+00 1.763815892e+01 1.763815892e+01 1.86 6.580683789e+00 6.580683789e+00 1.343380871e+01 1.343380871e+01 1.974207267e+00 1.974207267e+00 1.600317643e+01 1.600317643e+01 1.88 5.632887564e+00 5.632887564e+00 1.203628454e+01 1.203628454e+01 1.428374725e+00 1.428374725e+00 1.445660283e+01 1.445660283e+01 1.90 4.747684302e+00 4.747684302e+00 1.071812171e+01 1.071812171e+01 9.257855563e-01 9.257855563e-01 1.299619405e+01 1.299619405e+01 1.92 3.922894342e+00 3.922894342e+00 9.477199349e+00 9.477199349e+00 4.643984519e-01 4.643984519e-01 1.161952319e+01 1.161952319e+01 1.94 3.157331295e+00 3.157331295e+00 8.311169627e+00 8.311169627e+00 4.208290171e-02 4.208290170e-02 1.032386768e+01 1.032386768e+01 1.96 2.447541441e+00 2.447541441e+00 7.217614035e+00 7.217614035e+00 -3.428479809e-01 -3.428479809e-01 9.105507055e+00 9.105507055e+00 1.98 1.789291793e+00 1.789291793e+00 6.193945272e+00 6.193945272e+00 -6.926050232e-01 -6.926050232e-01 7.962903261e+00 7.962903261e+00 2.00 1.181676799e+00 1.181676799e+00 5.237499693e+00 5.237499693e+00 -1.009373111e+00 -1.009373111e+00 6.893132914e+00 6.893132914e+00 2.02 6.222594526e-01 6.222594526e-01 4.345564567e+00 4.345564567e+00 -1.294960827e+00 -1.294960827e+00 5.893346373e+00 5.893346373e+00 2.04 1.086083481e-01 1.086083481e-01 3.515402533e+00 3.515402533e+00 -1.551816549e+00 -1.551816549e+00 4.960096577e+00 4.960096577e+00 2.06 -3.616714056e-01 -3.616714056e-01 2.744372431e+00 2.744372431e+00 -1.781831021e+00 -1.781831021e+00 4.090809722e+00 4.090809722e+00 2.08 -7.909274933e-01 -7.909274933e-01 2.030595226e+00 2.030595226e+00 -1.986847733e+00 -1.986847733e+00 3.282469259e+00 3.282469259e+00 2.10 -1.181451823e+00 -1.181451823e+00 1.369875929e+00 1.369875929e+00 -2.168873251e+00 -2.168873251e+00 2.532733855e+00 2.532733855e+00 2.12 -1.535473839e+00 -1.535473839e+00 7.593510802e-01 7.593510802e-01 -2.329548694e+00 -2.329548694e+00 1.839238830e+00 1.839238830e+00 2.14 -1.854935402e+00 -1.854935402e+00 1.969155797e-01 1.969155797e-01 -2.470254256e+00 -2.470254256e+00 1.198183214e+00 1.198183214e+00 2.16 -2.142326167e+00 -2.142326167e+00 -3.196690092e-01 -3.196690092e-01 -2.592366674e+00 -2.592366674e+00 6.067856113e-01 6.067856113e-01 2.18 -2.400438389e+00 -2.400438389e+00 -7.928622838e-01 -7.928622838e-01 -2.697320593e+00 -2.697320593e+00 6.254077861e-02 6.254077861e-02 2.20 -2.630411979e+00 -2.630411979e+00 -1.225050066e+00 -1.225050066e+00 -2.786470977e+00 -2.786470977e+00 -4.370896190e-01 -4.370896190e-01 2.22 -2.833321075e+00 -2.833321075e+00 -1.618540688e+00 -1.618540688e+00 -2.861094594e+00 -2.861094594e+00 -8.945976465e-01 -8.945976465e-01 2.24 -3.011636498e+00 -3.011636498e+00 -1.975562540e+00 -1.975562540e+00 -2.922298374e+00 -2.922298374e+00 -1.312468489e+00 -1.312468489e+00 2.26 -3.167054193e+00 -3.167054193e+00 -2.298262657e+00 -2.298262657e+00 -2.970780527e+00 -2.970780527e+00 -1.692849090e+00 -1.692849090e+00 2.28 -3.301196636e+00 -3.301196636e+00 -2.588706109e+00 -2.588706109e+00 -3.007760032e+00 -3.007760032e+00 -2.037935594e+00 -2.037935594e+00 2.30 -3.415611454e+00 -3.415611454e+00 -2.848648091e+00 -2.848648091e+00 -3.033992852e+00 -3.033992852e+00 -2.349983711e+00 -2.349983711e+00 2.32 -3.511772014e+00 -3.511772014e+00 -3.080087844e+00 -3.080087844e+00 -3.051336067e+00 -3.051336067e+00 -2.631225006e+00 -2.631225006e+00 2.34 -3.591078322e+00 -3.591078322e+00 -3.285036347e+00 -3.285036347e+00 -3.060376222e+00 -3.060376222e+00 -2.883215221e+00 -2.883215221e+00 2.36 -3.654858164e+00 -3.654858164e+00 -3.464877011e+00 -3.464877011e+00 -3.061899970e+00 -3.061899970e+00 -3.107381648e+00 -3.107381648e+00 2.38 -3.704761822e+00 -3.704761822e+00 -3.621226024e+00 -3.621226024e+00 -3.056637548e+00 -3.056637548e+00 -3.305967681e+00 -3.305967681e+00 2.40 -3.741947144e+00 -3.741947144e+00 -3.756068032e+00 -3.756068032e+00 -3.045265667e+00 -3.045265667e+00 -3.480025115e+00 -3.480025115e+00 2.42 -3.767384882e+00 -3.767384882e+00 -3.871252510e+00 -3.871252510e+00 -3.028410377e+00 -3.028410377e+00 -3.632043230e+00 -3.632043230e+00 2.44 -3.781844820e+00 -3.781844820e+00 -3.967847467e+00 -3.967847467e+00 -3.006649944e+00 -3.006649944e+00 -3.763288849e+00 -3.763288849e+00 2.46 -3.785829341e+00 -3.785829341e+00 -4.047217863e+00 -4.047217863e+00 -2.980517624e+00 -2.980517624e+00 -3.875383197e+00 -3.875383197e+00 2.48 -3.780629765e+00 -3.780629765e+00 -4.110668068e+00 -4.110668068e+00 -2.950504463e+00 -2.950504463e+00 -3.969617654e+00 -3.969617654e+00 2.50 -3.766845376e+00 -3.766845376e+00 -4.159430965e+00 -4.159430965e+00 -2.917058318e+00 -2.917058318e+00 -4.047235966e+00 -4.047235966e+00 2.52 -3.745149834e+00 -3.745149834e+00 -4.195502646e+00 -4.195502646e+00 -2.881329431e+00 -2.881329431e+00 -4.109496280e+00 -4.109496280e+00 2.54 -3.716945155e+00 -3.716945155e+00 -4.219570815e+00 -4.219570815e+00 -2.843275429e+00 -2.843275429e+00 -4.157589573e+00 -4.157589573e+00 2.56 -3.682932035e+00 -3.682932035e+00 -4.232270958e+00 -4.232270958e+00 -2.802867586e+00 -2.802867586e+00 -4.192690141e+00 -4.192690141e+00 2.58 -3.643759974e+00 -3.643759974e+00 -4.234581296e+00 -4.234581296e+00 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