# 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 = Au3Cu # 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 8.024783651e+02 nan nan 0.92 7.271622697e+02 nan nan 0.94 6.596564321e+02 nan nan 0.96 5.990802160e+02 nan nan 0.98 5.446605548e+02 8.058638720e+02 nan 1.00 4.957193168e+02 7.360203702e+02 8.365831781e+02 1.02 4.516529631e+02 6.728784057e+02 7.659918770e+02 1.04 4.119314725e+02 6.157396826e+02 7.019750641e+02 1.06 3.760867157e+02 5.639861887e+02 6.438668073e+02 1.08 3.437029164e+02 5.170632860e+02 5.910718929e+02 1.10 3.144120222e+02 4.744797676e+02 5.430644343e+02 1.12 2.878848463e+02 4.357965967e+02 4.993695862e+02 1.14 2.638332008e+02 4.006227042e+02 4.595661734e+02 1.16 2.419986652e+02 3.686041680e+02 4.232774827e+02 1.18 2.221529047e+02 3.394293341e+02 3.901609213e+02 1.20 2.040927698e+02 3.128194062e+02 3.599136687e+02 1.22 1.876365009e+02 2.885244885e+02 3.322633699e+02 1.24 1.726219644e+02 2.663183116e+02 3.069627478e+02 1.26 1.589052206e+02 2.459987573e+02 2.837904109e+02 1.28 1.463583558e+02 2.273856701e+02 2.625477686e+02 1.30 1.348671389e+02 2.103178013e+02 2.430558727e+02 1.32 1.243295370e+02 1.946498160e+02 2.251527844e+02 1.34 1.146544461e+02 1.802505917e+02 2.086928939e+02 1.36 1.057601842e+02 1.670020262e+02 1.935446177e+02 1.38 9.757504149e+01 1.547985237e+02 1.795903135e+02 1.40 9.003315470e+01 1.435468898e+02 1.667234680e+02 1.42 8.307626840e+01 1.331618852e+02 1.548467424e+02 1.44 7.665135150e+01 1.235670704e+02 1.438722203e+02 1.46 7.071204667e+01 1.146934397e+02 1.337215051e+02 1.48 6.521659183e+01 1.064779976e+02 1.243245687e+02 1.50 6.012679067e+01 9.886435949e+01 1.156173132e+02 1.52 5.540774986e+01 9.180174182e+01 1.075416039e+02 1.54 5.102918693e+01 8.524398635e+01 1.000444962e+02 1.56 4.696349438e+01 7.915006634e+01 9.307764304e+01 1.58 4.318555419e+01 7.348240382e+01 8.659753587e+01 1.60 3.967254786e+01 6.820692549e+01 8.056572020e+01 1.62 3.640377351e+01 6.329243388e+01 7.494695198e+01 1.64 3.336048602e+01 5.871069720e+01 6.970872814e+01 1.66 3.052534941e+01 5.443662018e+01 6.482185794e+01 1.68 2.788248367e+01 5.044690969e+01 6.025932292e+01 1.70 2.542187194e+01 4.672006484e+01 5.599630092e+01 1.72 2.312597956e+01 4.323671204e+01 5.201064279e+01 1.74 2.097370308e+01 3.997907652e+01 4.828198113e+01 1.76 1.897399997e+01 3.693035027e+01 4.479155201e+01 1.78 1.710330528e+01 3.407576041e+01 4.152229583e+01 1.80 1.535503079e+01 3.140226346e+01 3.845866041e+01 1.82 1.372274981e+01 2.889728516e+01 3.558629269e+01 1.84 1.220031689e+01 2.655206692e+01 3.289199899e+01 1.86 1.078235604e+01 2.435291809e+01 3.036349007e+01 1.88 9.462989352e+00 2.229516369e+01 2.798986508e+01 1.90 8.237040286e+00 2.035180317e+01 2.576482779e+01 1.92 7.099540976e+00 1.853818770e+01 2.367349610e+01 1.94 6.045711234e+00 1.683398212e+01 2.169872257e+01 1.96 5.070949377e+00 1.523343507e+01 1.985536121e+01 1.98 4.170776273e+00 1.373162316e+01 1.811920643e+01 2.00 3.340940803e+00 1.232353021e+01 1.648498959e+01 2.02 2.577359548e+00 1.100451435e+01 1.494780435e+01 2.04 1.876039448e+00 9.770239943e+00 1.350276284e+01 2.06 1.233224113e+00 8.616547860e+00 1.214579440e+01 2.08 6.451482720e-01 7.539438113e+00 1.087273611e+01 2.10 1.091564815e-01 6.535057776e+00 9.679546784e+00 2.12 -3.783976146e-01 5.599692991e+00 8.562098513e+00 2.14 -8.209040831e-01 4.729767059e+00 7.516990414e+00 2.16 -1.221324199e+00 3.921564482e+00 6.540657938e+00 2.18 -1.582754638e+00 3.171906784e+00 5.629662926e+00 2.20 -1.907550848e+00 2.477723901e+00 4.780689258e+00 2.22 -2.198077458e+00 1.835778279e+00 3.990557805e+00 2.24 -2.456938682e+00 1.243216238e+00 3.256153646e+00 2.26 -2.686401766e+00 6.972782293e-01 2.574450895e+00 2.28 -2.888607671e+00 1.954317777e-01 1.942577235e+00 2.30 -3.065576332e+00 -2.645263293e-01 1.357810963e+00 2.32 -3.218923646e+00 -6.856933822e-01 8.175512326e-01 2.34 -3.350679025e+00 -1.070408634e+00 3.194241718e-01 2.36 -3.462597332e+00 -1.420902836e+00 -1.385232085e-01 2.38 -3.556376357e+00 -1.739284215e+00 -5.592384129e-01 2.40 -3.633433046e+00 -2.027356139e+00 -9.448966778e-01 2.42 -3.695084598e+00 -2.287254401e+00 -1.297574912e+00 2.44 -3.742755108e+00 -2.520822999e+00 -1.619254480e+00 2.46 -3.777376225e+00 -2.729789031e+00 -1.911681748e+00 2.48 -3.800061652e+00 -2.915836722e+00 -2.176673639e+00 2.50 -3.812356873e+00 -3.080624220e+00 -2.416586356e+00 2.52 -3.814897359e+00 -3.225379886e+00 -2.632506231e+00 2.54 -3.808579628e+00 -3.351434599e+00 -2.825959587e+00 2.56 -3.794250767e+00 -3.460318843e+00 -2.998415565e+00 2.58 -3.772697022e+00 -3.553257542e+00 -3.151268463e+00 2.60 -3.744647450e+00 -3.631970562e+00 -3.285520681e+00 2.62 -3.710777394e+00 -3.697201930e+00 -3.402752602e+00 2.64 -3.671714586e+00 -3.749823101e+00 -3.504146827e+00 2.66 -3.627678148e+00 -3.790800941e+00 -3.590815473e+00 2.68 -3.579114231e+00 -3.820840766e+00 -3.663808597e+00 2.70 -3.527014818e+00 -3.840907114e+00 -3.724116888e+00 2.72 -3.471815908e+00 -3.851898582e+00 -3.772674305e+00 2.74 -3.413919216e+00 -3.854567433e+00 -3.810360863e+00 2.76 -3.354208300e+00 -3.849619427e+00 -3.837751715e+00 2.78 -3.292759631e+00 -3.837765283e+00 -3.855919376e+00 2.80 -3.229825102e+00 -3.819718316e+00 -3.865783653e+00 2.82 -3.165526566e+00 -3.795902794e+00 -3.867804247e+00 2.84 -3.099743119e+00 -3.766857965e+00 -3.862626062e+00 2.86 -3.032569386e+00 -3.733086548e+00 -3.850950015e+00 2.88 -2.965137518e+00 -3.695055505e+00 -3.834086100e+00 2.90 -2.897308964e+00 -3.652718543e+00 -3.811717332e+00 2.92 -2.829275563e+00 -3.607393921e+00 -3.784340120e+00 2.94 -2.761205512e+00 -3.559037762e+00 -3.752415905e+00 2.96 -2.693252494e+00 -3.508002881e+00 -3.716376308e+00 2.98 -2.626013197e+00 -3.454614550e+00 -3.676201799e+00 3.00 -2.559349248e+00 -3.399174589e+00 -3.632409519e+00 3.02 -2.493138228e+00 -3.341963928e+00 -3.585674096e+00 3.04 -2.427482089e+00 -3.283410028e+00 -3.536315108e+00 3.06 -2.362471953e+00 -3.223812053e+00 -3.484635846e+00 3.08 -2.298196730e+00 -3.163003030e+00 -3.430918630e+00 3.10 -2.234817518e+00 -3.100795427e+00 -3.375426051e+00 3.12 -2.172293475e+00 -3.037747706e+00 -3.318402070e+00 3.14 -2.110680816e+00 -2.974249161e+00 -3.260072582e+00 3.16 -2.050026958e+00 -2.910445406e+00 -3.200640653e+00 3.18 -1.990382474e+00 -2.846483803e+00 -3.139941884e+00 3.20 -1.931775582e+00 -2.782497187e+00 -3.078014988e+00 3.22 -1.874200887e+00 -2.718606888e+00 -3.016235552e+00 3.24 -1.817642297e+00 -2.654923528e+00 -2.954197975e+00 3.26 -1.762060084e+00 -2.591547760e+00 -2.891898675e+00 3.28 -1.707546007e+00 -2.528570940e+00 -2.829468447e+00 3.30 -1.654203954e+00 -2.466075731e+00 -2.767027445e+00 3.32 -1.602035766e+00 -2.404136707e+00 -2.704685872e+00 3.34 -1.551028530e+00 -2.342821046e+00 -2.642544616e+00 3.36 -1.501188429e+00 -2.282189001e+00 -2.580695885e+00 3.38 -1.452506093e+00 -2.222294121e+00 -2.519223696e+00 3.40 -1.404994893e+00 -2.163219383e+00 -2.458204392e+00 3.42 -1.358672653e+00 -2.105450114e+00 -2.397707243e+00 3.44 -1.313515974e+00 -2.048517138e+00 -2.337795084e+00 3.46 -1.269453045e+00 -1.992464169e+00 -2.278524215e+00 3.48 -1.226431523e+00 -1.937311536e+00 -2.219945121e+00 3.50 -1.184420708e+00 -1.883056158e+00 -2.162113761e+00 3.52 -1.143440400e+00 -1.829692082e+00 -2.105278349e+00 3.54 -1.103521705e+00 -1.777181386e+00 -2.049259030e+00 3.56 -1.064691695e+00 -1.725565228e+00 -1.994085338e+00 3.58 -1.026921826e+00 -1.674946361e+00 -1.939768265e+00 3.60 -9.901740540e-01 -1.625355310e+00 -1.886307961e+00 3.62 -9.544500894e-01 -1.576780383e+00 -1.833694260e+00 3.64 -9.197548418e-01 -1.529219684e+00 -1.781894477e+00 3.66 -8.860923567e-01 -1.482671826e+00 -1.730962954e+00 3.68 -8.532969920e-01 -1.437144603e+00 -1.680992278e+00 3.70 -8.212488287e-01 -1.392651436e+00 -1.632008014e+00 3.72 -7.900922024e-01 -1.349188116e+00 -1.583997714e+00 3.74 -7.599439482e-01 -1.306716976e+00 -1.536962388e+00 3.76 -7.308868858e-01 -1.265187895e+00 -1.490901567e+00 3.78 -7.029759424e-01 -1.224561555e+00 -1.445816705e+00 3.80 -6.762433226e-01 -1.184832306e+00 -1.401725117e+00 3.82 -6.508882622e-01 -1.146018450e+00 -1.358638469e+00 3.84 -6.268070466e-01 -1.108143799e+00 -1.316519881e+00 3.86 -6.035839055e-01 -1.071222171e+00 -1.275314959e+00 3.88 -5.809117971e-01 -1.035230681e+00 -1.234984616e+00 3.90 -5.585732652e-01 -1.000154319e+00 -1.195507939e+00 3.92 -5.364215841e-01 -9.659841813e-01 -1.156900696e+00 3.94 -5.143652360e-01 -9.327236457e-01 -1.119456980e+00 3.96 -4.923551924e-01 -9.003705700e-01 -1.082989052e+00 3.98 -4.703745483e-01 -8.687947367e-01 -1.047424288e+00 4.00 -4.484301253e-01 -8.379540098e-01 -1.012729104e+00 4.02 -4.265457147e-01 -8.078728196e-01 -9.789013416e-01 4.04 -4.046915298e-01 -7.786391948e-01 -9.459434616e-01 4.06 -3.828763298e-01 -7.503396271e-01 -9.138609216e-01 4.08 -3.613143922e-01 -7.230356057e-01 -8.826280928e-01 4.10 -3.401773287e-01 -6.967678850e-01 -8.520502185e-01 4.12 -3.195951609e-01 -6.716509278e-01 -8.221769915e-01 4.14 -2.996638326e-01 -6.477068112e-01 -7.930812526e-01 4.16 -2.804514962e-01 -6.247386124e-01 -7.648545456e-01 4.18 -2.620037654e-01 -6.024890949e-01 -7.375651685e-01 4.20 -2.443480878e-01 -5.807063428e-01 -7.112605106e-01 4.22 -2.274973823e-01 -5.592070719e-01 -6.859705861e-01 4.24 -2.114530541e-01 -5.378653991e-01 -6.618645383e-01 4.26 -1.962074897e-01 -5.166007227e-01 -6.388595892e-01 4.28 -1.817461091e-01 -4.953436862e-01 -6.166940378e-01 4.30 -1.680490520e-01 -4.746267754e-01 -5.951096344e-01 4.32 -1.550925557e-01 -4.541860149e-01 -5.738976060e-01 4.34 -1.428500794e-01 -4.338026421e-01 -5.529096482e-01 4.36 -1.312932094e-01 -4.134499300e-01 -5.320458810e-01 4.38 -1.203923894e-01 -3.931808900e-01 -5.112447816e-01 4.40 -1.101168425e-01 -3.731137592e-01 -4.904747986e-01 4.42 -1.003598441e-01 -3.533613517e-01 -4.697274040e-01 4.44 -9.260839149e-02 -3.340425446e-01 -4.490113697e-01 4.46 -8.604300556e-02 -3.152492751e-01 -4.283462886e-01 4.48 -7.983702512e-02 -2.970497144e-01 -4.076766435e-01 4.50 -7.399692021e-02 -2.794924263e-01 -3.870942255e-01 4.52 -6.850693380e-02 -2.626098848e-01 -3.667337852e-01 4.54 -6.369195909e-02 -2.464214390e-01 -3.467236097e-01 4.56 -5.963467253e-02 -2.309358093e-01 -3.271791152e-01 4.58 -5.580772163e-02 -2.161531814e-01 -3.081878632e-01 4.60 -5.219858356e-02 -2.020669557e-01 -2.898143274e-01 4.62 -4.879534390e-02 -1.886652103e-01 -2.721039377e-01 4.64 -4.558667919e-02 -1.759319157e-01 -2.550864997e-01 4.66 -4.256183768e-02 -1.638479449e-01 -2.387790834e-01 4.68 -3.971061848e-02 -1.523919021e-01 -2.231884512e-01 4.70 -3.702334999e-02 -1.415408050e-01 -2.083130971e-01 4.72 -3.449086792e-02 -1.312706423e-01 -1.941449563e-01 4.74 -3.210449337e-02 -1.215568248e-01 -1.806708312e-01 4.76 -2.985601089e-02 -1.123745521e-01 -1.678735810e-01 4.78 -2.773764676e-02 -1.036990995e-01 -1.557331015e-01 4.80 -2.574204775e-02 -9.549309278e-02 -1.442271372e-01 4.82 -2.386226057e-02 -8.812894890e-02 -1.333319467e-01 4.84 -2.209171196e-02 -8.132492316e-02 -1.230228482e-01 4.86 -2.042418943e-02 -7.489765439e-02 -1.132746592e-01 4.88 -1.885382260e-02 -6.882773395e-02 -1.040620500e-01 4.90 -1.737506545e-02 -6.309648368e-02 -9.535982528e-02 4.92 -1.598267931e-02 -5.768559867e-02 -8.714256510e-02 4.94 -1.467171672e-02 -5.253269480e-02 -7.931683899e-02 4.96 -1.342788991e-02 -4.832134845e-02 -7.292861092e-02 4.98 -1.246402635e-02 -4.498433542e-02 -6.787484237e-02 5.00 -1.159224733e-02 -4.179638696e-02 -6.304735386e-02 5.02 -1.076945494e-02 -3.879127377e-02 -5.849798164e-02 5.04 -9.992964859e-03 -3.595911327e-02 -5.421179007e-02 5.06 -9.260234008e-03 -3.329020844e-02 -5.017407022e-02 5.08 -8.568853538e-03 -3.077537000e-02 -4.637084604e-02 5.10 -7.916542100e-03 -2.840589549e-02 -4.278885379e-02 5.12 -7.301139502e-03 -2.617354832e-02 -3.941551909e-02 5.14 -6.720600563e-03 -2.407053664e-02 -3.623893165e-02 5.16 -6.172989249e-03 -2.208949239e-02 -3.324781889e-02 5.18 -5.656473127e-03 -2.022345096e-02 -3.043151899e-02 5.20 -5.169318099e-03 -1.846583134e-02 -2.777995393e-02 5.22 -4.709883411e-03 -1.681041704e-02 -2.528360255e-02 5.24 -4.276616808e-03 -1.525133725e-02 -2.293347358e-02 5.26 -3.868049973e-03 -1.378304891e-02 -2.072107939e-02 5.28 -3.482794191e-03 -1.240031949e-02 -1.863841048e-02 5.30 -3.119536263e-03 -1.109821066e-02 -1.667791093e-02 5.32 -2.777034581e-03 -9.872062521e-03 -1.483245457e-02 5.34 -2.454115366e-03 -8.717478473e-03 -1.309532183e-02 5.36 -2.149669130e-03 -7.630310921e-03 -1.146017778e-02 5.38 -1.862647314e-03 -6.606647697e-03 -9.921051201e-03 5.40 -1.592059114e-03 -5.642799235e-03 -8.472314676e-03 5.42 -1.336968421e-03 -4.735286228e-03 -7.108665403e-03 5.44 -1.096490919e-03 -3.880827935e-03 -5.825106989e-03 5.46 -8.697913419e-04 -3.076331174e-03 -4.616932264e-03 5.48 -6.560808837e-04 -2.318879916e-03 -3.479707030e-03 5.50 -4.546147357e-04 -1.605725451e-03 -2.409254679e-03 5.52 -2.646897143e-04 -9.342769375e-04 -1.401641431e-03 5.54 -8.448721512e-05 -2.980205580e-04 -4.470538691e-04 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 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00