# 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 = CuPt3 # 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 1.163664950e+03 nan nan 0.88 1.054178805e+03 nan nan 0.90 9.559559282e+02 nan nan 0.92 8.677300823e+02 nan nan 0.94 7.883913072e+02 nan nan 0.96 7.169620984e+02 1.050911385e+03 1.186949740e+03 0.98 6.525844765e+02 9.605433846e+02 1.086806109e+03 1.00 5.945030003e+02 8.786729023e+02 9.959092550e+02 1.02 5.420480697e+02 8.044244350e+02 9.133214023e+02 1.04 4.946261314e+02 7.370275178e+02 8.382064781e+02 1.06 4.517124347e+02 6.757975646e+02 7.698280833e+02 1.08 4.128386797e+02 6.201181352e+02 7.075231125e+02 1.10 3.775914379e+02 5.694441577e+02 6.507085017e+02 1.12 3.455979075e+02 5.232857274e+02 5.988547850e+02 1.14 3.165297349e+02 4.812035967e+02 5.514924811e+02 1.16 2.900915973e+02 4.428029668e+02 5.081992863e+02 1.18 2.660217672e+02 4.077333974e+02 4.685915935e+02 1.20 2.440859391e+02 3.756787698e+02 4.323296475e+02 1.22 2.240729722e+02 3.463535162e+02 3.991058164e+02 1.24 2.057950580e+02 3.195021652e+02 3.686400675e+02 1.26 1.890844268e+02 2.948934392e+02 3.406826610e+02 1.28 1.737908702e+02 2.723200471e+02 3.150076778e+02 1.30 1.597783827e+02 2.515939076e+02 2.914095397e+02 1.32 1.469269348e+02 2.325476029e+02 2.697029855e+02 1.34 1.351279747e+02 2.150290307e+02 2.497207328e+02 1.36 1.242839256e+02 1.989004464e+02 2.313108795e+02 1.38 1.143067948e+02 1.840372015e+02 2.143354396e+02 1.40 1.051184270e+02 1.703282581e+02 1.986699728e+02 1.42 9.664815130e+01 1.576722505e+02 1.842014657e+02 1.44 8.883208581e+01 1.459786182e+02 1.708266517e+02 1.46 8.161288269e+01 1.351647478e+02 1.584529166e+02 1.48 7.493857998e+01 1.251553211e+02 1.469957010e+02 1.50 6.876293943e+01 1.158822903e+02 1.363784997e+02 1.52 6.304333130e+01 1.072841340e+02 1.265325300e+02 1.54 5.774271353e+01 9.930449884e+01 1.173943513e+02 1.56 5.282662980e+01 9.189305421e+01 1.089063217e+02 1.58 4.826389397e+01 8.500411354e+01 1.010150747e+02 1.60 4.402533533e+01 7.859661970e+01 9.367371973e+01 1.62 4.008622483e+01 7.263262732e+01 8.683881962e+01 1.64 3.642325861e+01 6.707759463e+01 8.047129594e+01 1.66 3.301509841e+01 6.190011529e+01 7.453521331e+01 1.68 2.984230695e+01 5.707138873e+01 6.899754731e+01 1.70 2.688718347e+01 5.256505428e+01 6.382801537e+01 1.72 2.413782205e+01 4.835717075e+01 5.899906698e+01 1.74 2.159074217e+01 4.442583057e+01 5.448558382e+01 1.76 1.921873358e+01 4.075034941e+01 5.026440746e+01 1.78 1.702985749e+01 3.731201188e+01 4.631400171e+01 1.80 1.499758964e+01 3.409480982e+01 4.261544615e+01 1.82 1.311241434e+01 3.108341880e+01 3.915121388e+01 1.84 1.136556273e+01 2.826354103e+01 3.590496807e+01 1.86 9.748846560e+00 2.562606646e+01 3.286167518e+01 1.88 8.254477805e+00 2.316458266e+01 3.000765993e+01 1.90 6.875216080e+00 2.087154648e+01 2.733007614e+01 1.92 5.604359659e+00 1.872096396e+01 2.481992453e+01 1.94 4.435442397e+00 1.672682899e+01 2.247488360e+01 1.96 3.362189070e+00 1.486540806e+01 2.027473665e+01 1.98 2.378657705e+00 1.312922715e+01 1.823362837e+01 2.00 1.479479714e+00 1.151122436e+01 1.632400790e+01 2.02 6.596042764e-01 1.000486099e+01 1.453772274e+01 2.04 -8.600558222e-02 8.604018399e+00 1.286830872e+01 2.06 -7.621463122e-01 7.302718771e+00 1.130989286e+01 2.08 -1.373381720e+00 6.095334055e+00 9.856515053e+00 2.10 -1.923475092e+00 4.976992969e+00 8.502546112e+00 2.12 -2.416010406e+00 3.942338995e+00 7.242658556e+00 2.14 -2.856055878e+00 2.986848983e+00 6.071792839e+00 2.16 -3.247318307e+00 2.105998763e+00 4.985131433e+00 2.18 -3.593995438e+00 1.295623438e+00 3.977979191e+00 2.20 -3.898783647e+00 5.516203166e-01 3.045993273e+00 2.22 -4.164782450e+00 -1.299567088e-01 2.184930960e+00 2.24 -4.394935766e+00 -7.528730367e-01 1.390643233e+00 2.26 -4.592020775e+00 -1.320719039e+00 6.594361110e-01 2.28 -4.759105375e+00 -1.836579636e+00 -1.234391438e-02 2.30 -4.898172943e+00 -2.303019947e+00 -6.281857064e-01 2.32 -5.011282265e+00 -2.724190381e+00 -1.191419657e+00 2.34 -5.101076133e+00 -3.103068089e+00 -1.705141099e+00 2.36 -5.168818754e+00 -3.442441572e+00 -2.171100572e+00 2.38 -5.216972691e+00 -3.744957536e+00 -2.593868356e+00 2.40 -5.247588016e+00 -4.013125687e+00 -2.976322728e+00 2.42 -5.262022717e+00 -4.249323571e+00 -3.320643946e+00 2.44 -5.261815940e+00 -4.455801430e+00 -3.629301990e+00 2.46 -5.248399143e+00 -4.634686996e+00 -3.904641806e+00 2.48 -5.223147449e+00 -4.788063151e+00 -4.148965170e+00 2.50 -5.187388528e+00 -4.917996446e+00 -4.364537339e+00 2.52 -5.142109689e+00 -5.025797012e+00 -4.553093098e+00 2.54 -5.088369298e+00 -5.113299405e+00 -4.716528070e+00 2.56 -5.027142268e+00 -5.181800483e+00 -4.856630712e+00 2.58 -4.959327188e+00 -5.232835063e+00 -4.974991687e+00 2.60 -4.885751053e+00 -5.269101061e+00 -5.073062572e+00 2.62 -4.807175160e+00 -5.291260104e+00 -5.152626094e+00 2.64 -4.724119755e+00 -5.300256008e+00 -5.214407636e+00 2.66 -4.637018051e+00 -5.297478091e+00 -5.260754764e+00 2.68 -4.547177301e+00 -5.283984515e+00 -5.292968985e+00 2.70 -4.454816633e+00 -5.260529863e+00 -5.311839722e+00 2.72 -4.359024126e+00 -5.228051048e+00 -5.318472287e+00 2.74 -4.260549255e+00 -5.187422250e+00 -5.313903846e+00 2.76 -4.161787623e+00 -5.139463588e+00 -5.299106718e+00 2.78 -4.062541531e+00 -5.085900072e+00 -5.274991554e+00 2.80 -3.962863830e+00 -5.027038049e+00 -5.242410432e+00 2.82 -3.863043144e+00 -4.962880477e+00 -5.202159841e+00 2.84 -3.763966243e+00 -4.894037782e+00 -5.154983369e+00 2.86 -3.666351362e+00 -4.821077600e+00 -5.101730391e+00 2.88 -3.569464667e+00 -4.744113353e+00 -5.044201687e+00 2.90 -3.473206645e+00 -4.663682726e+00 -4.981648349e+00 2.92 -3.377750984e+00 -4.580637126e+00 -4.914629838e+00 2.94 -3.283252497e+00 -4.495325596e+00 -4.843666610e+00 2.96 -3.190047184e+00 -4.406902615e+00 -4.768880845e+00 2.98 -3.098040215e+00 -4.316170047e+00 -4.690680313e+00 3.00 -3.007337467e+00 -4.224399974e+00 -4.609927980e+00 3.02 -2.918030962e+00 -4.131872145e+00 -4.527021544e+00 3.04 -2.830200097e+00 -4.039027660e+00 -4.441363278e+00 3.06 -2.743912614e+00 -3.946159272e+00 -4.352886333e+00 3.08 -2.659225517e+00 -3.853233197e+00 -4.265199922e+00 3.10 -2.576186179e+00 -3.760451419e+00 -4.176580965e+00 3.12 -2.494833542e+00 -3.667994051e+00 -4.087289179e+00 3.14 -2.415196322e+00 -3.576023876e+00 -3.997557822e+00 3.16 -2.337304210e+00 -3.484687618e+00 -3.907600523e+00 3.18 -2.261173156e+00 -3.394117125e+00 -3.817612579e+00 3.20 -2.186776539e+00 -3.304430473e+00 -3.727772165e+00 3.22 -2.114083641e+00 -3.215733005e+00 -3.638241507e+00 3.24 -2.043030210e+00 -3.128110374e+00 -3.549167953e+00 3.26 -1.973669124e+00 -3.042599255e+00 -3.460684998e+00 3.28 -1.906083417e+00 -2.958611486e+00 -3.372913240e+00 3.30 -1.840289926e+00 -2.875852725e+00 -3.285961291e+00 3.32 -1.776205033e+00 -2.794382640e+00 -3.199926622e+00 3.34 -1.713610477e+00 -2.714252718e+00 -3.114896329e+00 3.36 -1.652386125e+00 -2.635507080e+00 -3.030947873e+00 3.38 -1.592677768e+00 -2.558183120e+00 -2.948149806e+00 3.40 -1.534658504e+00 -2.482311548e+00 -2.866562544e+00 3.42 -1.478373500e+00 -2.407915763e+00 -2.786238798e+00 3.44 -1.423752363e+00 -2.335024040e+00 -2.707223974e+00 3.46 -1.370743736e+00 -2.263645735e+00 -2.629557265e+00 3.48 -1.319307687e+00 -2.193761363e+00 -2.553271777e+00 3.50 -1.269408976e+00 -2.125351126e+00 -2.478401341e+00 3.52 -1.221019333e+00 -2.058365833e+00 -2.405193208e+00 3.54 -1.174117725e+00 -1.992819545e+00 -2.333442632e+00 3.56 -1.128669894e+00 -1.928797483e+00 -2.263140175e+00 3.58 -1.084611635e+00 -1.866336811e+00 -2.194269980e+00 3.60 -1.041921362e+00 -1.805366837e+00 -2.126808173e+00 3.62 -1.000585752e+00 -1.745734479e+00 -2.060710928e+00 3.64 -9.605919645e-01 -1.687323769e+00 -1.996012355e+00 3.66 -9.218610039e-01 -1.630190996e+00 -1.932781336e+00 3.68 -8.841960023e-01 -1.574475172e+00 -1.871050472e+00 3.70 -8.476736165e-01 -1.520262977e+00 -1.810780350e+00 3.72 -8.123765983e-01 -1.467540629e+00 -1.751796180e+00 3.74 -7.783612107e-01 -1.416260361e+00 -1.693963056e+00 3.76 -7.456618884e-01 -1.366384016e+00 -1.637780256e+00 3.78 -7.142951900e-01 -1.317881848e+00 -1.583206039e+00 3.80 -6.843695678e-01 -1.270730061e+00 -1.530064333e+00 3.82 -6.559026310e-01 -1.224905945e+00 -1.478334222e+00 3.84 -6.285351877e-01 -1.180392296e+00 -1.427969708e+00 3.86 -6.019884853e-01 -1.137152262e+00 -1.378936632e+00 3.88 -5.760609324e-01 -1.095151764e+00 -1.331208358e+00 3.90 -5.506120219e-01 -1.054364403e+00 -1.284764150e+00 3.92 -5.255490819e-01 -1.014778149e+00 -1.239584382e+00 3.94 -5.008164073e-01 -9.763833088e-01 -1.195654679e+00 3.96 -4.763863902e-01 -9.391073558e-01 -1.152955846e+00 3.98 -4.522523231e-01 -9.028536391e-01 -1.111441239e+00 4.00 -4.284225516e-01 -8.675997049e-01 -1.071089648e+00 4.02 -4.048432376e-01 -8.333987903e-01 -1.031888649e+00 4.04 -3.815236806e-01 -8.003112168e-01 -9.938303886e-01 4.06 -3.586448080e-01 -7.683779980e-01 -9.569055801e-01 4.08 -3.363478309e-01 -7.376240399e-01 -9.209736641e-01 4.10 -3.147375173e-01 -7.081001111e-01 -8.859878907e-01 4.12 -2.938888498e-01 -6.798769906e-01 -8.519844424e-01 4.14 -2.738525974e-01 -6.528280458e-01 -8.190272362e-01 4.16 -2.546599652e-01 -6.267285359e-01 -7.871634482e-01 4.18 -2.363264678e-01 -6.013481726e-01 -7.564240452e-01 4.20 -2.188551464e-01 -5.765168153e-01 -7.268264346e-01 4.22 -2.022392327e-01 -5.521135257e-01 -6.984471014e-01 4.24 -1.864643505e-01 -5.280565228e-01 -6.713296301e-01 4.26 -1.715103236e-01 -5.042946497e-01 -6.452692766e-01 4.28 -1.573526601e-01 -4.807693073e-01 -6.200328944e-01 4.30 -1.439637613e-01 -4.581030719e-01 -5.954278400e-01 4.32 -1.312992058e-01 -4.359702561e-01 -5.713132681e-01 4.34 -1.204976572e-01 -4.140615492e-01 -5.475899985e-01 4.36 -1.109191378e-01 -3.924104978e-01 -5.241920255e-01 4.38 -1.018632034e-01 -3.711028984e-01 -5.010794328e-01 4.40 -9.330468907e-02 -3.502488148e-01 -4.782325087e-01 4.42 -8.513918020e-02 -3.299469516e-01 -4.556468860e-01 4.44 -7.886320733e-02 -3.102709423e-01 -4.333294531e-01 4.46 -7.364853764e-02 -2.912736852e-01 -4.112236072e-01 4.48 -6.869890130e-02 -2.729910141e-01 -3.893690389e-01 4.50 -6.402318864e-02 -2.554448017e-01 -3.678706835e-01 4.52 -5.960722481e-02 -2.386455746e-01 -3.468453876e-01 4.54 -5.543728190e-02 -2.225947144e-01 -3.263887121e-01 4.56 -5.150026062e-02 -2.072863030e-01 -3.065717681e-01 4.58 -4.778367841e-02 -1.927113441e-01 -2.874454273e-01 4.60 -4.427565423e-02 -1.794121138e-01 -2.690438897e-01 4.62 -4.096489088e-02 -1.673158632e-01 -2.513877050e-01 4.64 -3.784065558e-02 -1.558228806e-01 -2.344863238e-01 4.66 -3.489275942e-02 -1.449120068e-01 -2.183402457e-01 4.68 -3.211153598e-02 -1.345612129e-01 -2.029428253e-01 4.70 -2.948781967e-02 -1.247479692e-01 -1.882817830e-01 4.72 -2.701292402e-02 -1.154495467e-01 -1.743404683e-01 4.74 -2.467320254e-02 -1.066432598e-01 -1.610989098e-01 4.76 -2.296523374e-02 -9.830666032e-02 -1.485346838e-01 4.78 -2.135560086e-02 -9.041769015e-02 -1.366236317e-01 4.80 -1.983295939e-02 -8.295480062e-02 -1.253404479e-01 4.82 -1.839278373e-02 -7.589704269e-02 -1.146591592e-01 4.84 -1.703077006e-02 -6.922413361e-02 -1.045535124e-01 4.86 -1.574282656e-02 -6.291650385e-02 -9.499728442e-02 4.88 -1.452506406e-02 -5.695532866e-02 -8.596453004e-02 4.90 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-6.206080137e-03 5.26 -7.563900573e-04 -2.674252139e-03 -4.012981860e-03 5.28 -3.674965697e-04 -1.298395039e-03 -1.947973388e-03 5.30 -7.181336731e-16 -2.031688321e-15 -2.365887614e-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 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