# 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 = PdPt3 # 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 1.461154024e+03 nan nan 0.88 1.330708602e+03 nan nan 0.90 1.213245361e+03 nan nan 0.92 1.107295198e+03 nan nan 0.94 1.011578598e+03 nan nan 0.96 9.249766082e+02 1.327857555e+03 1.489649594e+03 0.98 8.465091918e+02 1.219781814e+03 1.370002453e+03 1.00 7.753155423e+02 1.121478917e+03 1.261092209e+03 1.02 7.106379378e+02 1.031945531e+03 1.161820011e+03 1.04 6.518068146e+02 9.502951380e+02 1.071214815e+03 1.06 5.982308766e+02 8.757435574e+02 9.884175104e+02 1.08 5.493852349e+02 8.075943369e+02 9.126655442e+02 1.10 5.048041889e+02 7.452283890e+02 8.432813211e+02 1.12 4.640729155e+02 6.880943565e+02 7.796610479e+02 1.14 4.268219770e+02 6.356996389e+02 7.212655472e+02 1.16 3.927213756e+02 5.876041396e+02 6.676126951e+02 1.18 3.614755458e+02 5.434136392e+02 6.182703088e+02 1.20 3.328199584e+02 5.027743151e+02 5.728506679e+02 1.22 3.065171379e+02 4.653677086e+02 5.310052116e+02 1.24 2.823537856e+02 4.309075330e+02 4.924197545e+02 1.26 2.601384584e+02 3.991357883e+02 4.568113809e+02 1.28 2.396983905e+02 3.698198652e+02 4.239245701e+02 1.30 2.208774551e+02 3.427491936e+02 3.935282732e+02 1.32 2.035349948e+02 3.177334077e+02 3.654132551e+02 1.34 1.875437740e+02 2.946002374e+02 3.393899927e+02 1.36 1.727886319e+02 2.731934055e+02 3.152864429e+02 1.38 1.591648842e+02 2.533710254e+02 2.929461868e+02 1.40 1.465780179e+02 2.350040102e+02 2.722268276e+02 1.42 1.349421308e+02 2.179748004e+02 2.529989458e+02 1.44 1.241791266e+02 2.021765210e+02 2.351445305e+02 1.46 1.142179237e+02 1.875116957e+02 2.185558820e+02 1.48 1.049934960e+02 1.738912856e+02 2.031344913e+02 1.50 9.644696040e+01 1.612341028e+02 1.887901374e+02 1.52 8.852452326e+01 1.494658916e+02 1.754406375e+02 1.54 8.117705164e+01 1.385186408e+02 1.630106414e+02 1.56 7.435961778e+01 1.283299312e+02 1.514310293e+02 1.58 6.803117280e+01 1.188425589e+02 1.406385140e+02 1.60 6.215385387e+01 1.100042691e+02 1.305749583e+02 1.62 5.669323667e+01 1.017670629e+02 1.211868349e+02 1.64 5.161788201e+01 9.408677220e+01 1.124250285e+02 1.66 4.689881115e+01 8.692281452e+01 1.042443463e+02 1.68 4.250940511e+01 8.023785517e+01 9.660314694e+01 1.70 3.842519532e+01 7.399749909e+01 8.946295435e+01 1.72 3.462367563e+01 6.817004079e+01 8.278842018e+01 1.74 3.109106610e+01 6.272623423e+01 7.654690646e+01 1.76 2.781757660e+01 5.763908413e+01 7.070826715e+01 1.78 2.479653080e+01 5.288359078e+01 6.524456614e+01 1.80 2.200811451e+01 4.843664830e+01 6.012996720e+01 1.82 1.943658121e+01 4.427698430e+01 5.534066997e+01 1.84 1.706721799e+01 4.038490124e+01 5.085462232e+01 1.86 1.488626977e+01 3.674215820e+01 4.665139023e+01 1.88 1.288081854e+01 3.333415503e+01 4.271202276e+01 1.90 1.103871890e+01 3.015387231e+01 3.901892431e+01 1.92 9.348828316e+00 2.719100157e+01 3.555579137e+01 1.94 7.800575243e+00 2.444071868e+01 3.231144442e+01 1.96 6.383942738e+00 2.188681119e+01 2.927877436e+01 1.98 5.089569150e+00 1.951696509e+01 2.645638487e+01 2.00 3.908874799e+00 1.731960332e+01 2.382924559e+01 2.02 2.834011954e+00 1.528384089e+01 2.138513139e+01 2.04 1.857442108e+00 1.339944279e+01 1.911286401e+01 2.06 9.721056716e-01 1.165665281e+01 1.700194521e+01 2.08 1.713919024e-01 1.004624263e+01 1.504244874e+01 2.10 -5.506929841e-01 8.559905578e+00 1.322502186e+01 2.12 -1.199470616e+00 7.189298187e+00 1.154085221e+01 2.14 -1.780961189e+00 5.927016730e+00 9.981636679e+00 2.16 -2.300257720e+00 4.766149873e+00 8.539552872e+00 2.18 -2.762122497e+00 3.700066684e+00 7.207090452e+00 2.20 -3.171006731e+00 2.722529429e+00 5.977383336e+00 2.22 -3.530946200e+00 1.827670807e+00 4.843923720e+00 2.24 -3.845672752e+00 1.009972591e+00 3.800555569e+00 2.26 -4.119090859e+00 2.642456132e-01 2.841480652e+00 2.28 -4.355039580e+00 -4.141295798e-01 1.961238498e+00 2.30 -4.556213259e+00 -1.029615064e+00 1.154687539e+00 2.32 -4.725882573e+00 -1.586977928e+00 4.169873548e-01 2.34 -4.867086499e+00 -2.090161943e+00 -2.563640590e-01 2.36 -4.980956639e+00 -2.542979580e+00 -8.690004211e-01 2.38 -5.070761736e+00 -2.949010018e+00 -1.426144586e+00 2.40 -5.138798210e+00 -3.311612272e+00 -1.931670809e+00 2.42 -5.186793894e+00 -3.633834781e+00 -2.388598435e+00 2.44 -5.216625450e+00 -3.918473648e+00 -2.800276994e+00 2.46 -5.230024373e+00 -4.168565207e+00 -3.169854314e+00 2.48 -5.228346286e+00 -4.386706365e+00 -3.500268204e+00 2.50 -5.213318204e+00 -4.575329084e+00 -3.793980153e+00 2.52 -5.186343086e+00 -4.736709719e+00 -4.053937206e+00 2.54 -5.148686897e+00 -4.872979187e+00 -4.282587147e+00 2.56 -5.101516387e+00 -4.985603627e+00 -4.482226499e+00 2.58 -5.045905848e+00 -5.076747188e+00 -4.655008579e+00 2.60 -4.982843479e+00 -5.148382549e+00 -4.802951606e+00 2.62 -4.913237386e+00 -5.202135953e+00 -4.927870929e+00 2.64 -4.837921470e+00 -5.239524539e+00 -5.030963588e+00 2.66 -4.758040900e+00 -5.262342510e+00 -5.115043784e+00 2.68 -4.674261468e+00 -5.271886049e+00 -5.181652395e+00 2.70 -4.586834773e+00 -5.268761142e+00 -5.231735177e+00 2.72 -4.494851545e+00 -5.254320135e+00 -5.266646838e+00 2.74 -4.399483773e+00 -5.229658559e+00 -5.287653174e+00 2.76 -4.302267827e+00 -5.195770949e+00 -5.295886604e+00 2.78 -4.203597551e+00 -5.155122085e+00 -5.292289140e+00 2.80 -4.103863876e+00 -5.107935555e+00 -5.278112704e+00 2.82 -4.003413641e+00 -5.053955141e+00 -5.254317640e+00 2.84 -3.902534322e+00 -4.993913155e+00 -5.221798842e+00 2.86 -3.802595045e+00 -4.928488916e+00 -5.181389788e+00 2.88 -3.702783226e+00 -4.858312014e+00 -5.133866282e+00 2.90 -3.603332262e+00 -4.783965398e+00 -5.079950008e+00 2.92 -3.504458340e+00 -4.705994133e+00 -5.020311859e+00 2.94 -3.406357878e+00 -4.624700446e+00 -4.955575089e+00 2.96 -3.310062853e+00 -4.539454598e+00 -4.886318275e+00 2.98 -3.214805423e+00 -4.451352424e+00 -4.813078121e+00 3.00 -3.120722791e+00 -4.361461461e+00 -4.736347548e+00 3.02 -3.027935563e+00 -4.270180359e+00 -4.656610168e+00 3.04 -2.936549097e+00 -4.177835210e+00 -4.573157462e+00 3.06 -2.846655247e+00 -4.084759970e+00 -4.486433948e+00 3.08 -2.758607351e+00 -3.990785001e+00 -4.400953268e+00 3.10 -2.672179581e+00 -3.896212907e+00 -4.313915020e+00 3.12 -2.587428951e+00 -3.801653159e+00 -4.225632200e+00 3.14 -2.504402089e+00 -3.707315626e+00 -4.136394635e+00 3.16 -2.423137213e+00 -3.613382589e+00 -4.046359400e+00 3.18 -2.343663903e+00 -3.520019104e+00 -3.955313804e+00 3.20 -2.266004124e+00 -3.427373791e+00 -3.864014349e+00 3.22 -2.190172736e+00 -3.335580029e+00 -3.772732220e+00 3.24 -2.116177903e+00 -3.244746872e+00 -3.681642310e+00 3.26 -2.044033445e+00 -3.156210673e+00 -3.590912445e+00 3.28 -1.973720544e+00 -3.069214067e+00 -3.500694019e+00 3.30 -1.905245164e+00 -2.983378606e+00 -3.411124146e+00 3.32 -1.838611155e+00 -2.898782849e+00 -3.322326625e+00 3.34 -1.773633376e+00 -2.815495405e+00 -3.234412848e+00 3.36 -1.710135710e+00 -2.733576068e+00 -3.147482657e+00 3.38 -1.648160001e+00 -2.653076272e+00 -3.061625200e+00 3.40 -1.587845677e+00 -2.574039327e+00 -2.976919783e+00 3.42 -1.529263285e+00 -2.496502130e+00 -2.893436254e+00 3.44 -1.472364356e+00 -2.420494276e+00 -2.811235837e+00 3.46 -1.417144377e+00 -2.346039954e+00 -2.730372201e+00 3.48 -1.363606463e+00 -2.273157393e+00 -2.650891190e+00 3.50 -1.311730132e+00 -2.201858408e+00 -2.572831918e+00 3.52 -1.261472541e+00 -2.132154657e+00 -2.496227656e+00 3.54 -1.212800855e+00 -2.064052527e+00 -2.421104917e+00 3.56 -1.165686333e+00 -1.997546001e+00 -2.347486155e+00 3.58 -1.120068909e+00 -1.932638006e+00 -2.275387293e+00 3.60 -1.075905747e+00 -1.869323623e+00 -2.204820089e+00 3.62 -1.033178206e+00 -1.807491815e+00 -2.135792782e+00 3.64 -9.918682727e-01 -1.746994026e+00 -2.068318290e+00 3.66 -9.519559129e-01 -1.687809361e+00 -2.002381631e+00 3.68 -9.132853255e-01 -1.630044080e+00 -1.937987717e+00 3.70 -8.757671666e-01 -1.573786180e+00 -1.875154013e+00 3.72 -8.394822076e-01 -1.519027599e+00 -1.813763843e+00 3.74 -8.044863824e-01 -1.465726216e+00 -1.753655138e+00 3.76 -7.708145522e-01 -1.413880116e+00 -1.695346916e+00 3.78 -7.384842288e-01 -1.363493548e+00 -1.638725374e+00 3.80 -7.075102706e-01 -1.314561895e+00 -1.583524496e+00 3.82 -6.779907801e-01 -1.267054151e+00 -1.529757972e+00 3.84 -6.498534647e-01 -1.220943624e+00 -1.477364427e+00 3.86 -6.227911397e-01 -1.176203697e+00 -1.426343502e+00 3.88 -5.965709511e-01 -1.132787915e+00 -1.376702858e+00 3.90 -5.710229576e-01 -1.090660204e+00 -1.328443419e+00 3.92 -5.460271227e-01 -1.049803342e+00 -1.281541988e+00 3.94 -5.215025756e-01 -1.010203440e+00 -1.235974168e+00 3.96 -4.973987874e-01 -9.718466771e-01 -1.191720211e+00 3.98 -4.736883564e-01 -9.346425320e-01 -1.148744959e+00 4.00 -4.503611129e-01 -8.984782687e-01 -1.107002553e+00 4.02 -4.274045078e-01 -8.633755692e-01 -1.066478915e+00 4.04 -4.048190549e-01 -8.293934981e-01 -1.027162407e+00 4.06 -3.825663140e-01 -7.965725736e-01 -9.890415046e-01 4.08 -3.607688376e-01 -7.649377790e-01 -9.520941892e-01 4.10 -3.395463732e-01 -7.345011537e-01 -9.161556418e-01 4.12 -3.189876348e-01 -7.052898000e-01 -8.812101669e-01 4.14 -2.991559034e-01 -6.774028577e-01 -8.473209117e-01 4.16 -2.800937227e-01 -6.507021830e-01 -8.145341886e-01 4.18 -2.618268316e-01 -6.249356915e-01 -7.828807181e-01 4.20 -2.443674482e-01 -5.999094252e-01 -7.523781221e-01 4.22 -2.277170064e-01 -5.754796905e-01 -7.230330793e-01 4.24 -2.118684286e-01 -5.515432305e-01 -6.949091452e-01 4.26 -1.968080091e-01 -5.280290060e-01 -6.680690326e-01 4.28 -1.825169693e-01 -5.048913506e-01 -6.422642387e-01 4.30 -1.689727356e-01 -4.821042947e-01 -6.172802342e-01 4.32 -1.561352887e-01 -4.596568844e-01 -5.929550189e-01 4.34 -1.451488677e-01 -4.375493426e-01 -5.691692507e-01 4.36 -1.353797054e-01 -4.157762852e-01 -5.458379335e-01 4.38 -1.261291701e-01 -3.942680377e-01 -5.229034457e-01 4.40 -1.173742775e-01 -3.731164249e-01 -5.003297166e-01 4.42 -1.090922880e-01 -3.524397178e-01 -4.780973858e-01 4.44 -1.012608620e-01 -3.323281689e-01 -4.561998006e-01 4.46 -9.385818002e-02 -3.128487507e-01 -4.346397259e-01 4.48 -8.686303360e-02 -2.940491787e-01 -4.134029374e-01 4.50 -8.025489218e-02 -2.759613184e-01 -3.924289892e-01 4.52 -7.401395024e-02 -2.586040665e-01 -3.718285529e-01 4.54 -6.812115799e-02 -2.419857816e-01 -3.517075363e-01 4.56 -6.255823893e-02 -2.261063290e-01 -3.321467249e-01 4.58 -5.730769672e-02 -2.109625980e-01 -3.132059739e-01 4.60 -5.235281332e-02 -1.973365032e-01 -2.949277780e-01 4.62 -4.767764043e-02 -1.851420133e-01 -2.773403040e-01 4.64 -4.326698553e-02 -1.735390725e-01 -2.604599639e-01 4.66 -3.910639393e-02 -1.625085337e-01 -2.442935909e-01 4.68 -3.518212761e-02 -1.520301803e-01 -2.288402779e-01 4.70 -3.148114191e-02 -1.420831083e-01 -2.140929240e-01 4.72 -2.799106064e-02 -1.326460401e-01 -2.000395344e-01 4.74 -2.468499927e-02 -1.236975800e-01 -1.866643070e-01 4.76 -2.296523374e-02 -1.152164210e-01 -1.739485396e-01 4.78 -2.135560086e-02 -1.071815098e-01 -1.618713825e-01 4.80 -1.983295939e-02 -9.957217781e-02 -1.504104619e-01 4.82 -1.839278373e-02 -9.236824250e-02 -1.395423919e-01 4.84 -1.703077006e-02 -8.555008462e-02 -1.292431938e-01 4.86 -1.574282656e-02 -7.909870525e-02 -1.194886366e-01 4.88 -1.452506406e-02 -7.299576601e-02 -1.102545105e-01 4.90 -1.337378694e-02 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-7.563900573e-04 -3.818955183e-03 -5.731889016e-03 5.28 -3.674965697e-04 -1.856074743e-03 -2.784936917e-03 5.30 -7.181336731e-16 -2.904481406e-15 -3.385325768e-15 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 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