# 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 = Cu3Pt # 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 4.437406765e+02 nan nan 0.88 4.024223293e+02 nan nan 0.90 3.651862229e+02 nan nan 0.92 3.315866116e+02 nan nan 0.94 3.012224141e+02 nan nan 0.96 2.737498008e+02 4.010676105e+02 4.517426747e+02 0.98 2.488793073e+02 3.669991403e+02 4.145484916e+02 1.00 2.263436709e+02 3.359921526e+02 3.806273301e+02 1.02 2.059130042e+02 3.077335055e+02 3.496458540e+02 1.04 1.873740542e+02 2.819609207e+02 3.213112971e+02 1.06 1.705545216e+02 2.584312738e+02 2.953696904e+02 1.08 1.552820743e+02 2.369390190e+02 2.715949436e+02 1.10 1.414107786e+02 2.172989308e+02 2.497892998e+02 1.12 1.288101696e+02 1.993397465e+02 2.297784774e+02 1.14 1.173595383e+02 1.829028277e+02 2.114057322e+02 1.16 1.069547447e+02 1.678548266e+02 1.945262300e+02 1.18 9.749668717e+01 1.540783653e+02 1.790154388e+02 1.20 8.889340971e+01 1.414619957e+02 1.647620951e+02 1.22 8.106231997e+01 1.298973782e+02 1.516564420e+02 1.24 7.393435280e+01 1.193019821e+02 1.396081553e+02 1.26 6.744171166e+01 1.095900393e+02 1.285298092e+02 1.28 6.152073883e+01 1.006859731e+02 1.183430450e+02 1.30 5.612251827e+01 9.251732974e+01 1.089685475e+02 1.32 5.119855496e+01 8.501908999e+01 1.003459975e+02 1.34 4.670407513e+01 7.813634133e+01 9.241374980e+01 1.36 4.259447295e+01 7.181578918e+01 8.511486066e+01 1.38 3.883501841e+01 6.600645430e+01 7.839321957e+01 1.40 3.539531791e+01 6.066748112e+01 7.219956019e+01 1.42 3.224663631e+01 5.575815073e+01 6.649629342e+01 1.44 2.936125228e+01 5.124036418e+01 6.124032065e+01 1.46 2.671502426e+01 4.707812756e+01 5.639542110e+01 1.48 2.428379211e+01 4.324323771e+01 5.192861232e+01 1.50 2.205193651e+01 3.971023876e+01 4.780775968e+01 1.52 2.000132496e+01 3.645304739e+01 4.400460794e+01 1.54 1.811593852e+01 3.344693068e+01 4.049452645e+01 1.56 1.638288528e+01 3.067211797e+01 3.725329871e+01 1.58 1.479140616e+01 2.810957876e+01 3.425584955e+01 1.60 1.332972734e+01 2.574237885e+01 3.148430866e+01 1.62 1.198519154e+01 2.355442960e+01 2.892091276e+01 1.64 1.075006235e+01 2.153109253e+01 2.654928369e+01 1.66 9.558205110e+00 1.965740391e+01 2.435212053e+01 1.68 8.475670832e+00 1.792150649e+01 2.231560321e+01 1.70 7.454482045e+00 1.631538689e+01 2.042869613e+01 1.72 6.491774301e+00 1.483065812e+01 1.867954694e+01 1.74 5.585145251e+00 1.345890915e+01 1.705800843e+01 1.76 4.731520392e+00 1.217290127e+01 1.555474828e+01 1.78 3.929426529e+00 1.098889877e+01 1.416256481e+01 1.80 3.177977665e+00 9.887424150e+00 1.287389366e+01 1.82 2.474245530e+00 8.828670243e+00 1.168128284e+01 1.84 1.817235063e+00 7.856116700e+00 1.053237563e+01 1.86 1.205677007e+00 6.936091580e+00 9.496687235e+00 1.88 6.379904991e-01 6.066246212e+00 8.512954227e+00 1.90 1.123883720e-01 5.244509830e+00 7.578443967e+00 1.92 -3.728303371e-01 4.468836576e+00 6.693285666e+00 1.94 -8.194298495e-01 3.736198733e+00 5.855430219e+00 1.96 -1.229178623e+00 3.046980388e+00 5.063072021e+00 1.98 -1.604125187e+00 2.398456936e+00 4.314586816e+00 2.00 -1.945879469e+00 1.789902717e+00 3.608481910e+00 2.02 -2.255778131e+00 1.220573802e+00 2.942732194e+00 2.04 -2.533612447e+00 6.890411369e-01 2.315780163e+00 2.06 -2.782969016e+00 1.937625446e-01 1.727305360e+00 2.08 -3.005961011e+00 -2.667314501e-01 1.175993667e+00 2.10 -3.204139390e+00 -6.936397853e-01 6.605076246e-01 2.12 -3.379360205e+00 -1.088596225e+00 1.795161506e-01 2.14 -3.533079461e+00 -1.452837261e+00 -2.683077940e-01 2.16 -3.666314093e+00 -1.788150192e+00 -6.842868901e-01 2.18 -3.781338263e+00 -2.095479474e+00 -1.069792663e+00 2.20 -3.878609361e+00 -2.375313791e+00 -1.426097633e+00 2.22 -3.959577382e+00 -2.629444179e+00 -1.755058855e+00 2.24 -4.025699828e+00 -2.858348454e+00 -2.058610333e+00 2.26 -4.076504371e+00 -3.064754330e+00 -2.336567320e+00 2.28 -4.114123715e+00 -3.249882742e+00 -2.588783360e+00 2.30 -4.139449459e+00 -3.414945001e+00 -2.817334504e+00 2.32 -4.153803011e+00 -3.561142097e+00 -3.024307316e+00 2.34 -4.158182591e+00 -3.689527903e+00 -3.210831570e+00 2.36 -4.153244969e+00 -3.801184187e+00 -3.378009070e+00 2.38 -4.139812551e+00 -3.897154528e+00 -3.527044919e+00 2.40 -4.118658852e+00 -3.978443512e+00 -3.658960716e+00 2.42 -4.090510049e+00 -4.046016231e+00 -3.774618679e+00 2.44 -4.056046630e+00 -4.100639335e+00 -3.874995252e+00 2.46 -4.015905015e+00 -4.142819367e+00 -3.961031260e+00 2.48 -3.970822894e+00 -4.173852572e+00 -4.033869175e+00 2.50 -3.921652320e+00 -4.195115137e+00 -4.094862736e+00 2.52 -3.868425996e+00 -4.206899408e+00 -4.143652245e+00 2.54 -3.811632505e+00 -4.209964947e+00 -4.180850425e+00 2.56 -3.751715330e+00 -4.204999752e+00 -4.207857694e+00 2.58 -3.689012532e+00 -4.192607941e+00 -4.225241281e+00 2.60 -3.621751906e+00 -4.175589471e+00 -4.233890289e+00 2.62 -3.552444572e+00 -4.152942437e+00 -4.234463320e+00 2.64 -3.481605506e+00 -4.124564206e+00 -4.227586334e+00 2.66 -3.410515382e+00 -4.091024230e+00 -4.213995725e+00 2.68 -3.338568076e+00 -4.052805449e+00 -4.194247603e+00 2.70 -3.265868342e+00 -4.010316510e+00 -4.168727995e+00 2.72 -3.192618569e+00 -3.963989428e+00 -4.137938617e+00 2.74 -3.119008865e+00 -3.914228790e+00 -4.102352680e+00 2.76 -3.046003687e+00 -3.861413963e+00 -4.062415847e+00 2.78 -2.973246817e+00 -3.806081657e+00 -4.018547205e+00 2.80 -2.900610328e+00 -3.748473426e+00 -3.971140264e+00 2.82 -2.828234284e+00 -3.687833737e+00 -3.920563978e+00 2.84 -2.756246222e+00 -3.624019467e+00 -3.867163322e+00 2.86 -2.684761076e+00 -3.558827474e+00 -3.811585201e+00 2.88 -2.613882096e+00 -3.492450781e+00 -3.756515433e+00 2.90 -2.543701704e+00 -3.424632723e+00 -3.698407006e+00 2.92 -2.474302311e+00 -3.355821124e+00 -3.637246258e+00 2.94 -2.405758047e+00 -3.286497597e+00 -3.574721561e+00 2.96 -2.338343419e+00 -3.216818533e+00 -3.511005948e+00 2.98 -2.271889982e+00 -3.146940362e+00 -3.445923934e+00 3.00 -2.206448433e+00 -3.077006329e+00 -3.379685224e+00 3.02 -2.142062627e+00 -3.007153200e+00 -3.312886269e+00 3.04 -2.078770253e+00 -2.938051076e+00 -3.245663907e+00 3.06 -2.016604130e+00 -2.869977558e+00 -3.178168850e+00 3.08 -1.955916963e+00 -2.802238689e+00 -3.110873872e+00 3.10 -1.896379311e+00 -2.734937411e+00 -3.043546092e+00 3.12 -1.838044627e+00 -2.668157753e+00 -2.976303182e+00 3.14 -1.780845893e+00 -2.601975497e+00 -2.909252817e+00 3.16 -1.724710918e+00 -2.536458753e+00 -2.842493301e+00 3.18 -1.669474321e+00 -2.471668517e+00 -2.776114186e+00 3.20 -1.615067297e+00 -2.407659163e+00 -2.710196840e+00 3.22 -1.561798881e+00 -2.344478944e+00 -2.644815009e+00 3.24 -1.509848261e+00 -2.282167714e+00 -2.580035326e+00 3.26 -1.459125099e+00 -2.221093444e+00 -2.515917799e+00 3.28 -1.409525380e+00 -2.161059178e+00 -2.452516268e+00 3.30 -1.361032133e+00 -2.101968960e+00 -2.389878814e+00 3.32 -1.313706356e+00 -2.043848343e+00 -2.328048174e+00 3.34 -1.267595771e+00 -1.986717769e+00 -2.267062191e+00 3.36 -1.222694616e+00 -1.930596231e+00 -2.206954167e+00 3.38 -1.178977939e+00 -1.875509747e+00 -2.147752915e+00 3.40 -1.136417275e+00 -1.821455395e+00 -2.089483390e+00 3.42 -1.094993671e+00 -1.768366759e+00 -2.032167239e+00 3.44 -1.054695038e+00 -1.716157021e+00 -1.975821131e+00 3.46 -1.015497342e+00 -1.664716007e+00 -1.920456875e+00 3.48 -9.773828849e-01 -1.614073896e+00 -1.866117950e+00 3.50 -9.403298361e-01 -1.564441614e+00 -1.812786545e+00 3.52 -9.043237186e-01 -1.515941113e+00 -1.761110385e+00 3.54 -8.693298123e-01 -1.468524305e+00 -1.710271829e+00 3.56 -8.353331620e-01 -1.422105498e+00 -1.660100356e+00 3.58 -8.023259957e-01 -1.376643209e+00 -1.610705352e+00 3.60 -7.702449016e-01 -1.332166763e+00 -1.562331722e+00 3.62 -7.390852384e-01 -1.288723867e+00 -1.515037429e+00 3.64 -7.087469130e-01 -1.246337965e+00 -1.468757914e+00 3.66 -6.792758567e-01 -1.204989097e+00 -1.423417646e+00 3.68 -6.507469959e-01 -1.164655809e+00 -1.378982686e+00 3.70 -6.232129275e-01 -1.125317352e+00 -1.335481107e+00 3.72 -5.967344787e-01 -1.086959767e+00 -1.292958175e+00 3.74 -5.713444638e-01 -1.049568911e+00 -1.251439152e+00 3.76 -5.469927440e-01 -1.013127032e+00 -1.211063008e+00 3.78 -5.236488637e-01 -9.776211732e-01 -1.171739988e+00 3.80 -5.010374776e-01 -9.430361591e-01 -1.133352763e+00 3.82 -4.789400405e-01 -9.093501213e-01 -1.095890047e+00 3.84 -4.572021710e-01 -8.765432518e-01 -1.059343186e+00 3.86 -4.357201434e-01 -8.445987571e-01 -1.023692610e+00 3.88 -4.144297560e-01 -8.135137236e-01 -9.889273000e-01 3.90 -3.932971953e-01 -7.832672857e-01 -9.550377524e-01 3.92 -3.723036228e-01 -7.537922887e-01 -9.220084034e-01 3.94 -3.514266372e-01 -7.250597876e-01 -8.898162388e-01 3.96 -3.307285871e-01 -6.970444054e-01 -8.584427803e-01 3.98 -3.102021326e-01 -6.698104724e-01 -8.278858490e-01 4.00 -2.899640841e-01 -6.434114266e-01 -7.981423023e-01 4.02 -2.701658127e-01 -6.178850144e-01 -7.691632921e-01 4.04 -2.509076923e-01 -5.932712438e-01 -7.409160793e-01 4.06 -2.349114030e-01 -5.696290926e-01 -7.133236226e-01 4.08 -2.197277964e-01 -5.469244464e-01 -6.864452488e-01 4.10 -2.051806733e-01 -5.250753834e-01 -6.603385246e-01 4.12 -1.912688300e-01 -5.038601444e-01 -6.350455977e-01 4.14 -1.779921593e-01 -4.830971783e-01 -6.105956016e-01 4.16 -1.653443749e-01 -4.626547639e-01 -5.870361246e-01 4.18 -1.533143611e-01 -4.424412497e-01 -5.643844992e-01 4.20 -1.418872915e-01 -4.223968869e-01 -5.426656144e-01 4.22 -1.310455538e-01 -4.024870235e-01 -5.217081274e-01 4.24 -1.207695116e-01 -3.826964582e-01 -5.013083284e-01 4.26 -1.110381259e-01 -3.630137789e-01 -4.813140999e-01 4.28 -1.018294634e-01 -3.433464027e-01 -4.616152742e-01 4.30 -9.312110562e-02 -3.253346134e-01 -4.421354960e-01 4.32 -8.489047778e-02 -3.081709023e-01 -4.228253955e-01 4.34 -7.711510976e-02 -2.912749697e-01 -4.036568779e-01 4.36 -6.977284102e-02 -2.747517402e-01 -3.846183678e-01 4.38 -6.284197932e-02 -2.586692062e-01 -3.657062671e-01 4.40 -5.630090611e-02 -2.430782018e-01 -3.469034016e-01 4.42 -5.005204433e-02 -2.280153171e-01 -3.282296564e-01 4.44 -4.553553275e-02 -2.135053491e-01 -3.097016978e-01 4.46 -4.195714206e-02 -1.995633820e-01 -2.914485061e-01 4.48 -3.855583877e-02 -1.861965549e-01 -2.735777984e-01 4.50 -3.534403725e-02 -1.734055575e-01 -2.561724660e-01 4.52 -3.231180974e-02 -1.611858923e-01 -2.392946939e-01 4.54 -2.944949413e-02 -1.495289382e-01 -2.229894702e-01 4.56 -2.674787334e-02 -1.384228420e-01 -2.072875692e-01 4.58 -2.419816970e-02 -1.278539281e-01 -1.922080888e-01 4.60 -2.179203514e-02 -1.179433786e-01 -1.777605913e-01 4.62 -1.952153988e-02 -1.086591141e-01 -1.639469162e-01 4.64 -1.737915938e-02 -9.984034896e-02 -1.507627072e-01 4.66 -1.535776012e-02 -9.146899822e-02 -1.381986958e-01 4.68 -1.345058459e-02 -8.352672830e-02 -1.262417760e-01 4.70 -1.165123568e-02 -7.599516668e-02 -1.148759009e-01 4.72 -9.953661122e-03 -6.885607133e-02 -1.040828294e-01 4.74 -8.346659052e-03 -6.209146630e-02 -9.384274508e-02 4.76 -7.334650364e-03 -5.568374555e-02 -8.413476216e-02 4.78 -6.380286950e-03 -4.961575473e-02 -7.493734261e-02 4.80 -5.474380270e-03 -4.387085221e-02 -6.622863457e-02 4.82 -4.614525392e-03 -3.843295326e-02 -5.798674507e-02 4.84 -3.798433472e-03 -3.328656025e-02 -5.018995771e-02 4.86 -3.023926353e-03 -2.841678113e-02 -4.281690352e-02 4.88 -2.288931700e-03 -2.380934020e-02 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