# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Ag3Cu # 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 3.251283764e+02 nan nan 0.92 2.994327786e+02 nan nan 0.94 2.764656659e+02 nan nan 0.96 2.558382007e+02 nan nan 0.98 2.372194593e+02 3.257886082e+02 nan 1.00 2.203301146e+02 3.020256990e+02 3.350847964e+02 1.02 2.049408871e+02 2.806113752e+02 3.109869041e+02 1.04 1.908554344e+02 2.612357658e+02 2.892601296e+02 1.06 1.779114439e+02 2.436273917e+02 2.695934558e+02 1.08 1.659693265e+02 2.275619253e+02 2.517214901e+02 1.10 1.549136438e+02 2.128466291e+02 2.354145817e+02 1.12 1.446455184e+02 1.993128824e+02 2.204792867e+02 1.14 1.350814744e+02 1.868159646e+02 2.067470848e+02 1.16 1.261523002e+02 1.752380594e+02 1.940723673e+02 1.18 1.178031034e+02 1.644774728e+02 1.823339223e+02 1.20 1.099820884e+02 1.544467799e+02 1.714273932e+02 1.22 1.026449208e+02 1.450688008e+02 1.612594988e+02 1.24 9.575783470e+01 1.362841268e+02 1.517564335e+02 1.26 8.928779039e+01 1.280368855e+02 1.428513932e+02 1.28 8.320546832e+01 1.202807254e+02 1.344880434e+02 1.30 7.748739182e+01 1.129748690e+02 1.266147076e+02 1.32 7.211221634e+01 1.060840761e+02 1.191937162e+02 1.34 6.705939454e+01 9.957988145e+01 1.121890391e+02 1.36 6.231025211e+01 9.343528641e+01 1.055688900e+02 1.38 5.784646713e+01 8.762736902e+01 9.930499581e+01 1.40 5.365492108e+01 8.213702817e+01 9.337288654e+01 1.42 4.972070802e+01 7.694590680e+01 8.775494720e+01 1.44 4.602982518e+01 7.203647100e+01 8.243151806e+01 1.46 4.257008450e+01 6.739223417e+01 7.738616874e+01 1.48 3.932898571e+01 6.300065409e+01 7.260537203e+01 1.50 3.629321718e+01 5.885096011e+01 6.807499003e+01 1.52 3.345303721e+01 5.493125497e+01 6.378238368e+01 1.54 3.079859845e+01 5.122958282e+01 5.971699193e+01 1.56 2.832011066e+01 4.773662437e+01 5.586688231e+01 1.58 2.600805732e+01 4.444243007e+01 5.222274118e+01 1.60 2.385311004e+01 4.133755566e+01 4.877588097e+01 1.62 2.184621113e+01 3.841246848e+01 4.551726416e+01 1.64 1.997854395e+01 3.565843496e+01 4.243882356e+01 1.66 1.824198312e+01 3.306698080e+01 3.953146506e+01 1.68 1.662924555e+01 3.063054218e+01 3.678740537e+01 1.70 1.508512646e+01 2.834234788e+01 3.420004733e+01 1.72 1.369602287e+01 2.619480118e+01 3.176245406e+01 1.74 1.240501454e+01 2.418104628e+01 2.946761548e+01 1.76 1.118794410e+01 2.229366106e+01 2.730851438e+01 1.78 1.006248398e+01 2.052617772e+01 2.527847720e+01 1.80 9.010227321e+00 1.887289732e+01 2.337173589e+01 1.82 8.026683620e+00 1.732773938e+01 2.158220766e+01 1.84 7.108332090e+00 1.585289862e+01 1.990402963e+01 1.86 6.250164349e+00 1.450512161e+01 1.833124523e+01 1.88 5.450544231e+00 1.322954682e+01 1.685744223e+01 1.90 4.706317042e+00 1.203819981e+01 1.547770268e+01 1.92 4.014414590e+00 1.093467455e+01 1.413882918e+01 1.94 3.371924746e+00 9.896230723e+00 1.292964667e+01 1.96 2.776081764e+00 8.920548795e+00 1.178259467e+01 1.98 2.224081663e+00 8.003361012e+00 1.071645734e+01 2.00 1.713593815e+00 7.142440740e+00 9.712646284e+00 2.02 1.242242271e+00 6.335336475e+00 8.768071439e+00 2.04 8.075881864e-01 5.579315097e+00 7.879527445e+00 2.06 4.075729288e-01 4.871780263e+00 7.044560259e+00 2.08 4.009019426e-02 4.210260226e+00 6.260551951e+00 2.10 -2.967043091e-01 3.592397918e+00 5.524916665e+00 2.12 -6.046855214e-01 3.015942636e+00 4.834795945e+00 2.14 -8.855408366e-01 2.478746602e+00 4.188565185e+00 2.16 -1.140396989e+00 1.978428870e+00 3.584025925e+00 2.18 -1.372397554e+00 1.513226612e+00 3.019075978e+00 2.20 -1.581991564e+00 1.081435184e+00 2.491703827e+00 2.22 -1.770866729e+00 6.810292380e-01 1.999700966e+00 2.24 -1.940383590e+00 3.104510809e-01 1.540929538e+00 2.26 -2.091830562e+00 -3.187566132e-02 1.114295988e+00 2.28 -2.226426882e+00 -3.475382019e-01 7.180187763e-01 2.30 -2.345325372e+00 -6.380511548e-01 3.505275250e-01 2.32 -2.449615177e+00 -9.048591367e-01 1.029631008e-02 2.34 -2.540323965e+00 -1.148927374e+00 -3.041657739e-01 2.36 -2.618115776e+00 -1.371693543e+00 -5.942834541e-01 2.38 -2.684221915e+00 -1.574592816e+00 -8.614174852e-01 2.40 -2.739546431e+00 -1.758949406e+00 -1.106609199e+00 2.42 -2.784860662e+00 -1.925970827e+00 -1.330925343e+00 2.44 -2.820998072e+00 -2.076699123e+00 -1.536015624e+00 2.46 -2.848509852e+00 -2.212133360e+00 -1.722803443e+00 2.48 -2.868153155e+00 -2.333295096e+00 -1.892681071e+00 2.50 -2.880801372e+00 -2.441228782e+00 -2.047050129e+00 2.52 -2.886801853e+00 -2.536580311e+00 -2.186372018e+00 2.54 -2.886705217e+00 -2.620177253e+00 -2.311550773e+00 2.56 -2.881032156e+00 -2.692675884e+00 -2.423461366e+00 2.58 -2.870270010e+00 -2.754693251e+00 -2.522934835e+00 2.60 -2.854874572e+00 -2.807799123e+00 -2.610760044e+00 2.62 -2.835271836e+00 -2.852179969e+00 -2.687684663e+00 2.64 -2.811861302e+00 -2.888278823e+00 -2.754159795e+00 2.66 -2.784436602e+00 -2.916652252e+00 -2.811047818e+00 2.68 -2.753606153e+00 -2.937847907e+00 -2.859080184e+00 2.70 -2.720057929e+00 -2.952407907e+00 -2.898857114e+00 2.72 -2.684090727e+00 -2.960869061e+00 -2.930946694e+00 2.74 -2.645970329e+00 -2.963703181e+00 -2.955879341e+00 2.76 -2.606298709e+00 -2.961350406e+00 -2.974047642e+00 2.78 -2.565097853e+00 -2.954247682e+00 -2.986103511e+00 2.80 -2.522505293e+00 -2.942824677e+00 -2.992557134e+00 2.82 -2.478660107e+00 -2.927377524e+00 -2.993726950e+00 2.84 -2.433772734e+00 -2.908251416e+00 -2.990016819e+00 2.86 -2.387818697e+00 -2.885769690e+00 -2.981885677e+00 2.88 -2.341307810e+00 -2.860214022e+00 -2.970274406e+00 2.90 -2.294236606e+00 -2.831156541e+00 -2.954817852e+00 2.92 -2.246740552e+00 -2.799820684e+00 -2.935840076e+00 2.94 -2.198945694e+00 -2.766258629e+00 -2.913643249e+00 2.96 -2.150968308e+00 -2.730703937e+00 -2.888507409e+00 2.98 -2.103080527e+00 -2.693373890e+00 -2.860067703e+00 3.00 -2.055281250e+00 -2.654471404e+00 -2.829056956e+00 3.02 -2.007574910e+00 -2.614186915e+00 -2.795903893e+00 3.04 -1.960044106e+00 -2.572871031e+00 -2.760829209e+00 3.06 -1.912763829e+00 -2.530740419e+00 -2.724035943e+00 3.08 -1.865806409e+00 -2.487716403e+00 -2.685714196e+00 3.10 -1.819285874e+00 -2.443783555e+00 -2.646041768e+00 3.12 -1.773208121e+00 -2.399124362e+00 -2.605184893e+00 3.14 -1.727583124e+00 -2.353910215e+00 -2.563298787e+00 3.16 -1.682411236e+00 -2.308324593e+00 -2.520525417e+00 3.18 -1.637646045e+00 -2.262469633e+00 -2.477018279e+00 3.20 -1.593389010e+00 -2.216441399e+00 -2.432617250e+00 3.22 -1.549799238e+00 -2.170328667e+00 -2.387932753e+00 3.24 -1.506892181e+00 -2.124213229e+00 -2.342909955e+00 3.26 -1.464677866e+00 -2.078170319e+00 -2.297586599e+00 3.28 -1.423175956e+00 -2.032268995e+00 -2.252056727e+00 3.30 -1.382406308e+00 -1.986572550e+00 -2.206407192e+00 3.32 -1.342380464e+00 -1.941139049e+00 -2.160718295e+00 3.34 -1.303107301e+00 -1.896021341e+00 -2.115064156e+00 3.36 -1.264601746e+00 -1.851266091e+00 -2.069513037e+00 3.38 -1.226858252e+00 -1.806920923e+00 -2.024127688e+00 3.40 -1.189889343e+00 -1.763042989e+00 -1.978965722e+00 3.42 -1.153711787e+00 -1.719798203e+00 -1.934080158e+00 3.44 -1.118311748e+00 -1.676991959e+00 -1.889519069e+00 3.46 -1.083674505e+00 -1.634582424e+00 -1.845324217e+00 3.48 -1.049802110e+00 -1.592642279e+00 -1.801546924e+00 3.50 -1.016687994e+00 -1.551305282e+00 -1.758218655e+00 3.52 -9.842859629e-01 -1.510597449e+00 -1.715563842e+00 3.54 -9.526081645e-01 -1.470518781e+00 -1.673334331e+00 3.56 -9.216858040e-01 -1.431081858e+00 -1.631494800e+00 3.58 -8.915137393e-01 -1.392303940e+00 -1.590158383e+00 3.60 -8.620262637e-01 -1.354192493e+00 -1.549425199e+00 3.62 -8.329004624e-01 -1.316754285e+00 -1.509299671e+00 3.64 -8.043667026e-01 -1.280002292e+00 -1.469786660e+00 3.66 -7.766783934e-01 -1.243930953e+00 -1.430898858e+00 3.68 -7.500179693e-01 -1.208547905e+00 -1.392653326e+00 3.70 -7.245286136e-01 -1.173870920e+00 -1.355054714e+00 3.72 -7.003045684e-01 -1.139892665e+00 -1.318110575e+00 3.74 -6.774935937e-01 -1.106592209e+00 -1.281833920e+00 3.76 -6.560530497e-01 -1.073970072e+00 -1.246217124e+00 3.78 -6.353309800e-01 -1.042033764e+00 -1.211269010e+00 3.80 -6.148465794e-01 -1.010748240e+00 -1.177007039e+00 3.82 -5.942716096e-01 -9.800918194e-01 -1.143424231e+00 3.84 -5.733964888e-01 -9.500911249e-01 -1.110499991e+00 3.86 -5.521027486e-01 -9.207718931e-01 -1.078234851e+00 3.88 -5.303407770e-01 -8.921580343e-01 -1.046635927e+00 3.90 -5.081107086e-01 -8.640133216e-01 -1.015675098e+00 3.92 -4.854266969e-01 -8.361816481e-01 -9.853202306e-01 3.94 -4.623704099e-01 -8.089314234e-01 -9.557187746e-01 3.96 -4.389609139e-01 -7.824684738e-01 -9.268001783e-01 3.98 -4.153356671e-01 -7.569431627e-01 -8.985590513e-01 4.00 -3.918162724e-01 -7.324606675e-01 -8.708520260e-01 4.02 -3.686520598e-01 -7.090981794e-01 -8.434146973e-01 4.04 -3.460317158e-01 -6.871157763e-01 -8.164889611e-01 4.06 -3.240946786e-01 -6.664150759e-01 -7.902816814e-01 4.08 -3.029405796e-01 -6.464176442e-01 -7.649462368e-01 4.10 -2.826370518e-01 -6.266822955e-01 -7.405921457e-01 4.12 -2.632261669e-01 -6.068992306e-01 -7.172931750e-01 4.14 -2.447297370e-01 -5.868625520e-01 -6.952048236e-01 4.16 -2.271536656e-01 -5.664476355e-01 -6.745290567e-01 4.18 -2.104915110e-01 -5.455925766e-01 -6.547279269e-01 4.20 -1.947273887e-01 -5.242830573e-01 -6.353340043e-01 4.22 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-2.629458850e-01 4.58 -3.910387226e-02 -1.685562390e-01 -2.456042475e-01 4.60 -3.647801666e-02 -1.566464927e-01 -2.290790420e-01 4.62 -3.401167696e-02 -1.454006980e-01 -2.133638556e-01 4.64 -3.169532461e-02 -1.347897570e-01 -1.984451175e-01 4.66 -2.951998758e-02 -1.247842472e-01 -1.843037936e-01 4.68 -2.747721974e-02 -1.153548099e-01 -1.709167719e-01 4.70 -2.555907148e-02 -1.064724543e-01 -1.582579962e-01 4.72 -2.375806177e-02 -9.810879187e-02 -1.462993881e-01 4.74 -2.206715158e-02 -9.023621166e-02 -1.350115928e-01 4.76 -2.047971863e-02 -8.282801087e-02 -1.243645794e-01 4.78 -1.898953319e-02 -7.585848207e-02 -1.143281120e-01 4.80 -1.759073525e-02 -6.929517889e-02 -1.048721251e-01 4.82 -1.627781303e-02 -6.335256142e-02 -9.596701333e-02 4.84 -1.504558267e-02 -5.785098342e-02 -8.758385478e-02 4.86 -1.388916896e-02 -5.267254209e-02 -7.969457594e-02 4.88 -1.280398712e-02 -4.779874164e-02 -7.227206959e-02 4.90 -1.178572567e-02 -4.321203787e-02 -6.529027746e-02 4.92 -1.083033034e-02 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