# 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 = Ag3Pt # 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 6.566983731e+02 nan nan 0.92 5.977722606e+02 nan nan 0.94 5.450156319e+02 nan nan 0.96 4.976985170e+02 nan nan 0.98 4.551825275e+02 6.580765419e+02 nan 1.00 4.169100273e+02 6.034819848e+02 6.801896074e+02 1.02 3.823958788e+02 5.541995140e+02 6.251084084e+02 1.04 3.512113026e+02 5.096492959e+02 5.752619493e+02 1.06 3.229820482e+02 4.693169938e+02 5.300896690e+02 1.08 2.973773320e+02 4.327445546e+02 4.890897534e+02 1.10 2.741119428e+02 3.995324260e+02 4.518247236e+02 1.12 2.529304775e+02 3.693217979e+02 4.179018511e+02 1.14 2.336107431e+02 3.417947774e+02 3.869750174e+02 1.16 2.159551418e+02 3.166726017e+02 3.587362017e+02 1.18 1.997917609e+02 2.937058151e+02 3.329097457e+02 1.20 1.849683423e+02 2.726729445e+02 3.092534311e+02 1.22 1.713484077e+02 2.533771685e+02 2.875498357e+02 1.24 1.588145014e+02 2.356461930e+02 2.676048659e+02 1.26 1.472615192e+02 2.193246168e+02 2.492483139e+02 1.28 1.365964054e+02 2.042747850e+02 2.323270491e+02 1.30 1.267361646e+02 1.903733511e+02 2.167032047e+02 1.32 1.176085947e+02 1.775139362e+02 2.022561374e+02 1.34 1.091481267e+02 1.656004415e+02 1.888776772e+02 1.36 1.012963794e+02 1.545462349e+02 1.764704035e+02 1.38 9.400111688e+01 1.442753658e+02 1.649471377e+02 1.40 8.721689384e+01 1.347190416e+02 1.542306321e+02 1.42 8.090175524e+01 1.258161594e+02 1.442520315e+02 1.44 7.501853416e+01 1.175129853e+02 1.349488577e+02 1.46 6.953376525e+01 1.097604074e+02 1.262650885e+02 1.48 6.441660640e+01 1.025143482e+02 1.181500934e+02 1.50 5.964041322e+01 9.573571701e+01 1.105589220e+02 1.52 5.517996181e+01 8.938909535e+01 1.034518413e+02 1.54 5.101270433e+01 8.344157447e+01 9.679209193e+01 1.56 4.711824950e+01 7.786434768e+01 9.054559340e+01 1.58 4.347792626e+01 7.263142717e+01 8.468338626e+01 1.60 4.007369842e+01 6.771962499e+01 7.917815649e+01 1.62 3.689048473e+01 6.310679391e+01 7.400424359e+01 1.64 3.391378396e+01 5.877295919e+01 6.914012801e+01 1.66 3.112998872e+01 5.470033200e+01 6.456522650e+01 1.68 2.852696564e+01 5.087233556e+01 6.026057369e+01 1.70 2.609318309e+01 4.727356180e+01 5.620879554e+01 1.72 2.381794476e+01 4.388960718e+01 5.239419339e+01 1.74 2.169179987e+01 4.070759598e+01 4.880212547e+01 1.76 1.965710594e+01 3.771535888e+01 4.541896023e+01 1.78 1.780314235e+01 3.490114832e+01 4.223150388e+01 1.80 1.607266896e+01 3.225474673e+01 3.922885736e+01 1.82 1.445769636e+01 2.976658002e+01 3.640048620e+01 1.84 1.295168039e+01 2.742747962e+01 3.373632914e+01 1.86 1.154801428e+01 2.522868004e+01 3.122679034e+01 1.88 1.024064038e+01 2.316219234e+01 2.886315083e+01 1.90 9.023962823e+00 2.120486311e+01 2.663740968e+01 1.92 7.892694925e+00 1.934962288e+01 2.454184879e+01 1.94 6.841879068e+00 1.763909256e+01 2.256922502e+01 1.96 5.866863853e+00 1.603418301e+01 2.066494972e+01 1.98 4.962727651e+00 1.452860990e+01 1.891997270e+01 2.00 4.125696433e+00 1.311721168e+01 1.727940811e+01 2.02 3.352174747e+00 1.179483585e+01 1.573675236e+01 2.04 2.638311403e+00 1.055661391e+01 1.428734497e+01 2.06 1.980728092e+00 9.397815803e+00 1.292627866e+01 2.08 1.376124361e+00 8.314067571e+00 1.164881835e+01 2.10 8.214190565e-01 7.301602789e+00 1.045045682e+01 2.12 3.136305391e-01 6.356306816e+00 9.326648640e+00 2.14 -1.500770199e-01 5.474774882e+00 8.273943332e+00 2.16 -5.723181230e-01 4.653573885e+00 7.288613143e+00 2.18 -9.555412265e-01 3.889497465e+00 6.367114378e+00 2.20 -1.302360285e+00 3.179594028e+00 5.506123381e+00 2.22 -1.614857484e+00 2.520750894e+00 4.702489497e+00 2.24 -1.895464229e+00 1.910330707e+00 3.953220709e+00 2.26 -2.146360928e+00 1.345756272e+00 3.255475254e+00 2.28 -2.369548910e+00 8.245039459e-01 2.606476096e+00 2.30 -2.566932501e+00 3.441572599e-01 2.003710512e+00 2.32 -2.740446732e+00 -9.760634127e-02 1.444761375e+00 2.34 -2.891898878e+00 -5.029363710e-01 9.272922890e-01 2.36 -3.022681903e+00 -8.737556981e-01 4.490739000e-01 2.38 -3.134414953e+00 -1.212118628e+00 7.809079059e-03 2.40 -3.228493786e+00 -1.519972315e+00 -3.985151414e-01 2.42 -3.306035943e+00 -1.799021340e+00 -7.715714413e-01 2.44 -3.368763823e+00 -2.051160013e+00 -1.113141008e+00 2.46 -3.417784240e+00 -2.278072677e+00 -1.425144168e+00 2.48 -3.454190221e+00 -2.481342755e+00 -1.709102718e+00 2.50 -3.479149901e+00 -2.662482272e+00 -1.966998484e+00 2.52 -3.493687859e+00 -2.822934366e+00 -2.200250619e+00 2.54 -3.498753807e+00 -2.964075553e+00 -2.410324411e+00 2.56 -3.495242871e+00 -3.087217792e+00 -2.598643140e+00 2.58 -3.483988968e+00 -3.193610377e+00 -2.766567250e+00 2.60 -3.465767499e+00 -3.284441686e+00 -2.915396519e+00 2.62 -3.441298095e+00 -3.360723582e+00 -3.046372022e+00 2.64 -3.411247542e+00 -3.423492324e+00 -3.160678119e+00 2.66 -3.376328277e+00 -3.473972454e+00 -3.259555624e+00 2.68 -3.337100741e+00 -3.513120580e+00 -3.344078170e+00 2.70 -3.293992703e+00 -3.541717805e+00 -3.414983452e+00 2.72 -3.247477829e+00 -3.560645172e+00 -3.473332597e+00 2.74 -3.197351752e+00 -3.570767545e+00 -3.520134608e+00 2.76 -3.144470271e+00 -3.572844562e+00 -3.556266035e+00 2.78 -3.089493410e+00 -3.567819662e+00 -3.582495429e+00 2.80 -3.032794678e+00 -3.556318301e+00 -3.599729716e+00 2.82 -2.974616531e+00 -3.538743733e+00 -3.608639016e+00 2.84 -2.915238701e+00 -3.515679067e+00 -3.609919075e+00 2.86 -2.854923016e+00 -3.487668122e+00 -3.604224057e+00 2.88 -2.793809676e+00 -3.455216894e+00 -3.592168232e+00 2.90 -2.731966936e+00 -3.418827009e+00 -3.574327500e+00 2.92 -2.669814468e+00 -3.379246666e+00 -3.551240933e+00 2.94 -2.607543396e+00 -3.336504679e+00 -3.523412349e+00 2.96 -2.545498110e+00 -3.290971042e+00 -3.491311909e+00 2.98 -2.483774830e+00 -3.242418717e+00 -3.455377698e+00 3.00 -2.422395443e+00 -3.191525749e+00 -3.416017320e+00 3.02 -2.361387509e+00 -3.138868924e+00 -3.373609470e+00 3.04 -2.300850835e+00 -3.084711237e+00 -3.328516021e+00 3.06 -2.240883408e+00 -3.029299071e+00 -3.280728643e+00 3.08 -2.181870122e+00 -2.972858174e+00 -3.230674967e+00 3.10 -2.123674046e+00 -2.915596639e+00 -3.178895606e+00 3.12 -2.066217552e+00 -2.857682583e+00 -3.125613826e+00 3.14 -2.009556533e+00 -2.799140254e+00 -3.071064960e+00 3.16 -1.953738391e+00 -2.740178590e+00 -3.015465192e+00 3.18 -1.898804394e+00 -2.681085998e+00 -2.959011731e+00 3.20 -1.844793871e+00 -2.621976316e+00 -2.901888256e+00 3.22 -1.791731040e+00 -2.562966818e+00 -2.844500809e+00 3.24 -1.739646653e+00 -2.504155787e+00 -2.786630592e+00 3.26 -1.688553527e+00 -2.445971676e+00 -2.728534345e+00 3.28 -1.638382233e+00 -2.388264480e+00 -2.670343041e+00 3.30 -1.589095946e+00 -2.330995214e+00 -2.612173299e+00 3.32 -1.540785916e+00 -2.274233249e+00 -2.554130783e+00 3.34 -1.493544052e+00 -2.218040901e+00 -2.496311326e+00 3.36 -1.447375742e+00 -2.162473731e+00 -2.438801640e+00 3.38 -1.402272830e+00 -2.107581327e+00 -2.381679981e+00 3.40 -1.358216922e+00 -2.053419880e+00 -2.325016814e+00 3.42 -1.315203198e+00 -2.000190784e+00 -2.268875482e+00 3.44 -1.273243301e+00 -1.947740711e+00 -2.213312692e+00 3.46 -1.232325300e+00 -1.896097480e+00 -2.158378664e+00 3.48 -1.192417511e+00 -1.845290697e+00 -2.104118308e+00 3.50 -1.153505428e+00 -1.795337520e+00 -2.050571374e+00 3.52 -1.115593642e+00 -1.746257160e+00 -1.997772010e+00 3.54 -1.078635819e+00 -1.698070574e+00 -1.945751183e+00 3.56 -1.042620001e+00 -1.650743414e+00 -1.894533320e+00 3.58 -1.007501571e+00 -1.604215051e+00 -1.844145452e+00 3.60 -9.733165652e-01 -1.558503524e+00 -1.794600385e+00 3.62 -9.400833642e-01 -1.513689376e+00 -1.745917753e+00 3.64 -9.074521159e-01 -1.469825887e+00 -1.698113221e+00 3.66 -8.755815952e-01 -1.426911629e+00 -1.651140912e+00 3.68 -8.447286498e-01 -1.384930108e+00 -1.604945667e+00 3.70 -8.151242482e-01 -1.343870831e+00 -1.559562264e+00 3.72 -7.868541441e-01 -1.303737703e+00 -1.515067732e+00 3.74 -7.598909755e-01 -1.264525780e+00 -1.471502435e+00 3.76 -7.343179070e-01 -1.226215051e+00 -1.429030253e+00 3.78 -7.102583507e-01 -1.188796906e+00 -1.387547068e+00 3.80 -6.870940191e-01 -1.152256161e+00 -1.346954380e+00 3.82 -6.643248749e-01 -1.116574416e+00 -1.307256667e+00 3.84 -6.416087940e-01 -1.081725834e+00 -1.268453953e+00 3.86 -6.187263090e-01 -1.047715960e+00 -1.230520444e+00 3.88 -5.955519883e-01 -1.014556415e+00 -1.193449597e+00 3.90 -5.720225659e-01 -9.821805706e-01 -1.157230152e+00 3.92 -5.481127931e-01 -9.504999455e-01 -1.121848564e+00 3.94 -5.238963609e-01 -9.194327723e-01 -1.087378406e+00 3.96 -4.994664595e-01 -8.890368076e-01 -1.053740921e+00 3.98 -4.748884923e-01 -8.595297343e-01 -1.020922197e+00 4.00 -4.501771229e-01 -8.310704283e-01 -9.888845154e-01 4.02 -4.256190401e-01 -8.037792507e-01 -9.576177782e-01 4.04 -4.014673897e-01 -7.778140102e-01 -9.268165964e-01 4.06 -3.779129833e-01 -7.531799536e-01 -8.966228009e-01 4.08 -3.550960844e-01 -7.297461231e-01 -8.672564924e-01 4.10 -3.331161612e-01 -7.073238521e-01 -8.388804907e-01 4.12 -3.120399438e-01 -6.854332314e-01 -8.116144752e-01 4.14 -2.919080656e-01 -6.637241564e-01 -7.855832088e-01 4.16 -2.727405213e-01 -6.419578752e-01 -7.607809772e-01 4.18 -2.545411431e-01 -6.199830401e-01 -7.374339808e-01 4.20 -2.373012581e-01 -5.977160444e-01 -7.152222451e-01 4.22 -2.210026666e-01 -5.751249520e-01 -6.936330438e-01 4.24 -2.056200586e-01 -5.522164364e-01 -6.722951073e-01 4.26 -1.911229644e-01 -5.289993147e-01 -6.509501453e-01 4.28 -1.774773227e-01 -5.054923007e-01 -6.294292340e-01 4.30 -1.646467329e-01 -4.818531991e-01 -6.076333155e-01 4.32 -1.525934450e-01 -4.581777103e-01 -5.855171665e-01 4.34 -1.412791395e-01 -4.346147490e-01 -5.630762842e-01 4.36 -1.306655332e-01 -4.113865968e-01 -5.403279069e-01 4.38 -1.207148436e-01 -3.886643988e-01 -5.172999624e-01 4.40 -1.113901383e-01 -3.665770278e-01 -4.940724325e-01 4.42 -1.026555923e-01 -3.452187571e-01 -4.706348846e-01 4.44 -9.447667046e-02 -3.246556772e-01 -4.472066779e-01 4.46 -8.682025166e-02 -3.049310512e-01 -4.240261358e-01 4.48 -7.965470478e-02 -2.860697758e-01 -4.012783997e-01 4.50 -7.294992902e-02 -2.680820841e-01 -3.791047019e-01 4.52 -6.668020629e-02 -2.509666148e-01 -3.576101650e-01 4.54 -6.102996874e-02 -2.347129477e-01 -3.368703486e-01 4.56 -5.603246494e-02 -2.193035818e-01 -3.169367375e-01 4.58 -5.134997545e-02 -2.047066378e-01 -2.978413251e-01 4.60 -4.696308720e-02 -1.911579965e-01 -2.796004372e-01 4.62 -4.285350750e-02 -1.785994462e-01 -2.622179137e-01 4.64 -3.900401490e-02 -1.667349606e-01 -2.456877490e-01 4.66 -3.539840913e-02 -1.555431436e-01 -2.299962762e-01 4.68 -3.202146030e-02 -1.449931222e-01 -2.151239656e-01 4.70 -2.885885857e-02 -1.350539963e-01 -2.010469017e-01 4.72 -2.590031097e-02 -1.256952064e-01 -1.877379901e-01 4.74 -2.315267512e-02 -1.168867890e-01 -1.751679410e-01 4.76 -2.137863618e-02 -1.085995684e-01 -1.633060622e-01 4.78 -1.975404398e-02 -1.008052975e-01 -1.521208960e-01 4.80 -1.823375169e-02 -9.346803278e-02 -1.415807263e-01 4.82 -1.680789673e-02 -8.682835464e-02 -1.316539773e-01 4.84 -1.547070565e-02 -8.068568156e-02 -1.223095250e-01 4.86 -1.421675332e-02 -7.490798030e-02 -1.135169346e-01 4.88 -1.304094211e-02 -6.947445928e-02 -1.052466376e-01 4.90 -1.193848230e-02 -6.436535573e-02 -9.747006094e-02 4.92 -1.090487372e-02 -5.956191511e-02 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