# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Onat-B-Durukanoglu-S--Cu-Ni # implementation = 2013--Onat-B--Cu-Ni--LAMMPS--ipr1 # composition = Cu3Ni # 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 3.903135113e+01 nan nan 1.02 3.419220735e+01 nan nan 1.04 2.983114129e+01 nan nan 1.06 2.589797305e+01 nan nan 1.08 2.235006532e+01 nan nan 1.10 1.915009928e+01 3.660036212e+01 4.404700968e+01 1.12 1.627016038e+01 3.232312311e+01 3.921150378e+01 1.14 1.367656465e+01 2.845000702e+01 3.480778041e+01 1.16 1.134834214e+01 2.493129174e+01 3.080373640e+01 1.18 9.256044368e+00 2.173092144e+01 2.715719627e+01 1.20 7.382998244e+00 1.880883176e+01 2.382364599e+01 1.22 5.708520526e+00 1.614833191e+01 2.077031535e+01 1.24 4.215434767e+00 1.373747074e+01 1.798609079e+01 1.26 2.884116690e+00 1.154730362e+01 1.545101699e+01 1.28 1.699490275e+00 9.558754997e+00 1.314597753e+01 1.30 6.539808960e-01 7.763005548e+00 1.106071180e+01 1.32 -2.617082870e-01 6.142451608e+00 9.170246151e+00 1.34 -1.056118393e+00 4.681871622e+00 7.458511320e+00 1.36 -1.745397410e+00 3.375628544e+00 5.911697961e+00 1.38 -2.338367398e+00 2.210580172e+00 4.511671676e+00 1.40 -2.839968529e+00 1.169436776e+00 3.248551359e+00 1.42 -3.259923465e+00 2.350150238e-01 2.111675673e+00 1.44 -3.605302822e+00 -6.024835610e-01 1.087569106e+00 1.46 -3.880355321e+00 -1.343857304e+00 1.663329429e-01 1.48 -4.089813829e+00 -1.994278112e+00 -6.523898694e-01 1.50 -4.240148391e+00 -2.557801294e+00 -1.375585471e+00 1.52 -4.339838819e+00 -3.045047140e+00 -2.011420360e+00 1.54 -4.393455310e+00 -3.461898803e+00 -2.566588186e+00 1.56 -4.400660785e+00 -3.806418746e+00 -3.043523701e+00 1.58 -4.367756658e+00 -4.083407155e+00 -3.447961673e+00 1.60 -4.300678500e+00 -4.299702874e+00 -3.787130138e+00 1.62 -4.200993294e+00 -4.461719921e+00 -4.067804765e+00 1.64 -4.070772029e+00 -4.576681975e+00 -4.296276626e+00 1.66 -3.911693921e+00 -4.650623347e+00 -4.472150261e+00 1.68 -3.728361955e+00 -4.685177158e+00 -4.599122938e+00 1.70 -3.525381915e+00 -4.681481754e+00 -4.683398123e+00 1.72 -3.308440802e+00 -4.644066266e+00 -4.731085128e+00 1.74 -3.082614293e+00 -4.576510209e+00 -4.748285841e+00 1.76 -2.848346151e+00 -4.481470341e+00 -4.738971418e+00 1.78 -2.604227270e+00 -4.361149567e+00 -4.698930541e+00 1.80 -2.352240354e+00 -4.220403306e+00 -4.628399562e+00 1.82 -2.094396953e+00 -4.063649479e+00 -4.531506883e+00 1.84 -1.831825758e+00 -3.893110384e+00 -4.409573236e+00 1.86 -1.566114727e+00 -3.707528933e+00 -4.265301637e+00 1.88 -1.296625816e+00 -3.506803702e+00 -4.099855038e+00 1.90 -1.352479369e+00 -3.294680080e+00 -3.917046901e+00 1.92 -1.642961955e+00 -3.072906938e+00 -3.719101227e+00 1.94 -1.906016254e+00 -2.842710661e+00 -3.510682644e+00 1.96 -2.142595243e+00 -2.604715144e+00 -3.294116639e+00 1.98 -2.355475384e+00 -2.359217453e+00 -3.071165653e+00 2.00 -2.546745033e+00 -2.107652214e+00 -2.843083693e+00 2.02 -2.718430832e+00 -1.851318669e+00 -2.609356814e+00 2.04 -2.872512203e+00 -1.591500711e+00 -2.370400180e+00 2.06 -3.009870984e+00 -1.435890769e+00 -2.126556202e+00 2.08 -3.130914696e+00 -1.632901797e+00 -1.879599677e+00 2.10 -3.237134089e+00 -1.880498176e+00 -1.630944701e+00 2.12 -3.328590785e+00 -2.108021400e+00 -1.426933148e+00 2.14 -3.405934109e+00 -2.315534691e+00 -1.692814189e+00 2.16 -3.470540773e+00 -2.502551185e+00 -1.933783317e+00 2.18 -3.523543592e+00 -2.671538595e+00 -2.153026149e+00 2.20 -3.565802612e+00 -2.824065269e+00 -2.352154483e+00 2.22 -3.599150098e+00 -2.961649587e+00 -2.532725323e+00 2.24 -3.624274240e+00 -3.085234470e+00 -2.696113283e+00 2.26 -3.641737167e+00 -3.195339227e+00 -2.843553994e+00 2.28 -3.651653290e+00 -3.291529759e+00 -2.976020220e+00 2.30 -3.654812727e+00 -3.374815381e+00 -3.094820960e+00 2.32 -3.651288014e+00 -3.446336013e+00 -3.201282885e+00 2.34 -3.641294699e+00 -3.507072516e+00 -3.296683192e+00 2.36 -3.625937680e+00 -3.557976741e+00 -3.382288153e+00 2.38 -3.605266505e+00 -3.599977002e+00 -3.459378432e+00 2.40 -3.577069905e+00 -3.633755054e+00 -3.528159136e+00 2.42 -3.544489016e+00 -3.660923365e+00 -3.588054291e+00 2.44 -3.507402914e+00 -3.682294427e+00 -3.636195491e+00 2.46 -3.466184504e+00 -3.698219061e+00 -3.674670504e+00 2.48 -3.421173379e+00 -3.708754017e+00 -3.703944719e+00 2.50 -3.372673988e+00 -3.712859973e+00 -3.725350412e+00 2.52 -3.320954794e+00 -3.711478547e+00 -3.739326903e+00 2.54 -3.266247126e+00 -3.704453500e+00 -3.746448353e+00 2.56 -3.208744674e+00 -3.690567324e+00 -3.747258245e+00 2.58 -3.148850725e+00 -3.670854312e+00 -3.742196489e+00 2.60 -3.087925097e+00 -3.645637445e+00 -3.731343419e+00 2.62 -3.026378926e+00 -3.615666311e+00 -3.715220844e+00 2.64 -2.964478497e+00 -3.582305278e+00 -3.693766932e+00 2.66 -2.902490267e+00 -3.545504366e+00 -3.667786714e+00 2.68 -2.840472675e+00 -3.505566585e+00 -3.637591873e+00 2.70 -2.779216868e+00 -3.462772214e+00 -3.603227698e+00 2.72 -2.718412924e+00 -3.417375673e+00 -3.566667519e+00 2.74 -2.658243323e+00 -3.369511877e+00 -3.527729176e+00 2.76 -2.598976610e+00 -3.319122211e+00 -3.486739123e+00 2.78 -2.540657823e+00 -3.266470964e+00 -3.444018529e+00 2.80 -2.482984686e+00 -3.211239804e+00 -3.399880633e+00 2.82 -2.425021086e+00 -3.154112308e+00 -3.354604317e+00 2.84 -2.367009151e+00 -3.096027950e+00 -3.307944358e+00 2.86 -2.308872323e+00 -3.037178547e+00 -3.259700902e+00 2.88 -2.250733451e+00 -2.977716374e+00 -3.208478685e+00 2.90 -2.193128926e+00 -2.917795466e+00 -3.155586679e+00 2.92 -2.136173687e+00 -2.857308832e+00 -3.101754049e+00 2.94 -2.079914101e+00 -2.797095057e+00 -3.047139278e+00 2.96 -2.024389956e+00 -2.737039324e+00 -2.991887328e+00 2.98 -1.969634847e+00 -2.677240205e+00 -2.936133255e+00 3.00 -1.915676560e+00 -2.617793962e+00 -2.879845858e+00 3.02 -1.862537438e+00 -2.558788977e+00 -2.823470128e+00 3.04 -1.810234691e+00 -2.500306172e+00 -2.767304119e+00 3.06 -1.758780697e+00 -2.442419621e+00 -2.711354237e+00 3.08 -1.708183237e+00 -2.385197095e+00 -2.655724712e+00 3.10 -1.658445633e+00 -2.328700115e+00 -2.600514093e+00 3.12 -1.609566033e+00 -2.273011663e+00 -2.545816069e+00 3.14 -1.561505786e+00 -2.218353058e+00 -2.491714540e+00 3.16 -1.514014120e+00 -2.165016971e+00 -2.438167627e+00 3.18 -1.467469593e+00 -2.113060986e+00 -2.384839619e+00 3.20 -1.421983259e+00 -2.062469717e+00 -2.331968409e+00 3.22 -1.377118843e+00 -2.012990789e+00 -2.278928138e+00 3.24 -1.332893166e+00 -1.964854560e+00 -2.226212475e+00 3.26 -1.289252531e+00 -1.918140632e+00 -2.174074537e+00 3.28 -1.246093437e+00 -1.872922538e+00 -2.122545758e+00 3.30 -1.203729752e+00 -1.829174401e+00 -2.071656391e+00 3.32 -1.162963112e+00 -1.786448739e+00 -2.021432946e+00 3.34 -1.123900430e+00 -1.744528984e+00 -1.971898662e+00 3.36 -1.086576961e+00 -1.702434234e+00 -1.923073748e+00 3.38 -1.050756436e+00 -1.660587317e+00 -1.874975641e+00 3.40 -1.016050858e+00 -1.618961045e+00 -1.827619208e+00 3.42 -9.824543974e-01 -1.577519060e+00 -1.781016965e+00 3.44 -9.499649586e-01 -1.536037588e+00 -1.735179300e+00 3.46 -9.185815286e-01 -1.494831823e+00 -1.690114609e+00 3.48 -8.883029001e-01 -1.454193120e+00 -1.645829466e+00 3.50 -8.591476680e-01 -1.413852508e+00 -1.602329656e+00 3.52 -8.311393246e-01 -1.373778496e+00 -1.559571258e+00 3.54 -8.040779925e-01 -1.333899284e+00 -1.517431701e+00 3.56 -7.779225011e-01 -1.294229108e+00 -1.476398009e+00 3.58 -7.523900127e-01 -1.254941250e+00 -1.436582069e+00 3.60 -7.276151294e-01 -1.216092038e+00 -1.397845488e+00 3.62 -7.035854292e-01 -1.178060758e+00 -1.360207969e+00 3.64 -6.802887194e-01 -1.141101407e+00 -1.323653521e+00 3.66 -6.577131051e-01 -1.105196528e+00 -1.287797548e+00 3.68 -6.358379625e-01 -1.070349440e+00 -1.252179454e+00 3.70 -6.148114062e-01 -1.036562465e+00 -1.216982094e+00 3.72 -5.941971770e-01 -1.003838632e+00 -1.182157035e+00 3.74 -5.741226718e-01 -9.721819713e-01 -1.148111477e+00 3.76 -5.545691974e-01 -9.415977306e-01 -1.114835064e+00 3.78 -5.355176009e-01 -9.120925702e-01 -1.082320552e+00 3.80 -5.169485488e-01 -8.836747914e-01 -1.050560123e+00 3.82 -4.988418231e-01 -8.563545550e-01 -1.019545431e+00 3.84 -4.811771041e-01 -8.301424091e-01 -9.892676378e-01 3.86 -4.639332596e-01 -8.050248027e-01 -9.597174772e-01 3.88 -4.470912437e-01 -7.807184622e-01 -9.308852896e-01 3.90 -4.306221520e-01 -7.571559748e-01 -9.027610731e-01 3.92 -4.145033841e-01 -7.345400644e-01 -8.753345143e-01 3.94 -3.987158835e-01 -7.123069895e-01 -8.485950329e-01 3.96 -3.832319540e-01 -6.906246909e-01 -8.225318198e-01 3.98 -3.680884259e-01 -6.694796519e-01 -7.971338577e-01 4.00 -3.533408808e-01 -6.488581246e-01 -7.723899615e-01 4.02 -3.389970707e-01 -6.287460895e-01 -7.482888108e-01 4.04 -3.250659573e-01 -6.091293402e-01 -7.248189536e-01 4.06 -3.115742344e-01 -5.899933136e-01 -7.019688589e-01 4.08 -2.985366408e-01 -5.713233090e-01 -6.797269296e-01 4.10 -2.859376091e-01 -5.531042080e-01 -6.580814905e-01 4.12 -2.737626507e-01 -5.353206892e-01 -6.370208880e-01 4.14 -2.620040763e-01 -5.179570655e-01 -6.165334026e-01 4.16 -2.506513443e-01 -5.009972368e-01 -5.966073423e-01 4.18 -2.396890430e-01 -4.844248796e-01 -5.772310673e-01 4.20 -2.291046184e-01 -4.682236874e-01 -5.583928654e-01 4.22 -2.188891976e-01 -4.523756574e-01 -5.400812324e-01 4.24 -2.090316144e-01 -4.368625100e-01 -5.222845034e-01 4.26 -1.995195270e-01 -4.216627973e-01 -5.049913608e-01 4.28 -1.903451208e-01 -4.067605570e-01 -4.881902004e-01 4.30 -1.815006053e-01 -3.921407337e-01 -4.718698280e-01 4.32 -1.729741760e-01 -3.778059843e-01 -4.560188366e-01 4.34 -1.647526407e-01 -3.637810525e-01 -4.406281607e-01 4.36 -1.568261741e-01 -3.500954959e-01 -4.256839784e-01 4.38 -1.491936516e-01 -3.367687413e-01 -4.111698503e-01 4.40 -1.418498319e-01 -3.238210589e-01 -3.970839848e-01 4.42 -1.347810399e-01 -3.112698143e-01 -3.834123200e-01 4.44 -1.279731975e-01 -2.991142398e-01 -3.701508151e-01 4.46 -1.214123269e-01 -2.873422875e-01 -3.573220552e-01 4.48 -1.151013924e-01 -2.759421369e-01 -3.448561204e-01 4.50 -1.090671611e-01 -2.649076854e-01 -3.327576256e-01 4.52 -1.033008620e-01 -2.542300376e-01 -3.211449381e-01 4.54 -9.776972586e-02 -2.438969202e-01 -3.098165580e-01 4.56 -9.244544945e-02 -2.338972519e-01 -2.988178727e-01 4.58 -8.730370824e-02 -2.242245361e-01 -2.881603161e-01 4.60 -8.232371699e-02 -2.148704041e-01 -2.778325189e-01 4.62 -7.748612025e-02 -2.058248723e-01 -2.678267387e-01 4.64 -7.273981358e-02 -1.970790275e-01 -2.581380258e-01 4.66 -6.806928478e-02 -1.886282827e-01 -2.487559261e-01 4.68 -6.354675488e-02 -1.804650221e-01 -2.396692989e-01 4.70 -5.923290303e-02 -1.725790027e-01 -2.308701980e-01 4.72 -5.517102251e-02 -1.649594935e-01 -2.223525841e-01 4.74 -5.139011201e-02 -1.575999231e-01 -2.141079714e-01 4.76 -4.790753322e-02 -1.504998896e-01 -2.061270698e-01 4.78 -4.473128656e-02 -1.436549361e-01 -1.984040019e-01 4.80 -4.186195230e-02 -1.370539883e-01 -1.909337043e-01 4.82 -3.929433843e-02 -1.306857595e-01 -1.837081048e-01 4.84 -3.701887336e-02 -1.245390573e-01 -1.767175411e-01 4.86 -3.502353797e-02 -1.186144901e-01 -1.699522283e-01 4.88 -3.332509231e-02 -1.129198616e-01 -1.634094491e-01 4.90 -3.189959423e-02 -1.074712661e-01 -1.570875101e-01 4.92 -3.068571110e-02 -1.022457393e-01 -1.509806456e-01 4.94 -2.963384015e-02 -9.721900664e-02 -1.450782515e-01 4.96 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