# 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 = AgCu # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan 2.808041338e+02 2.808041338e+02 nan nan 0.78 nan nan nan nan 2.530144012e+02 2.530144012e+02 nan nan 0.80 nan nan nan nan 2.286602577e+02 2.286602577e+02 nan nan 0.82 nan nan nan nan 2.072497504e+02 2.072497504e+02 nan nan 0.84 nan nan nan nan 1.883635042e+02 1.883635042e+02 nan nan 0.86 nan nan nan nan 1.716347728e+02 1.716347728e+02 nan nan 0.88 2.601014235e+02 2.601014235e+02 nan nan 1.567768471e+02 1.567768471e+02 nan nan 0.90 2.405657000e+02 2.405657000e+02 nan nan 1.435397921e+02 1.435397921e+02 nan nan 0.92 2.229653411e+02 2.229653411e+02 nan nan 1.317066531e+02 1.317066531e+02 nan nan 0.94 2.070183239e+02 2.070183239e+02 nan nan 1.210963217e+02 1.210963217e+02 nan nan 0.96 1.925079421e+02 1.925079421e+02 nan nan 1.115464424e+02 1.115464424e+02 nan nan 0.98 1.792355596e+02 1.792355596e+02 nan nan 1.029267789e+02 1.029267789e+02 2.524371406e+02 2.524371406e+02 1.00 1.670448610e+02 1.670448610e+02 2.243484237e+02 2.243484237e+02 9.512377783e+01 9.512377783e+01 2.364198220e+02 2.364198220e+02 1.02 1.558089529e+02 1.558089529e+02 2.104839814e+02 2.104839814e+02 8.803573346e+01 8.803573346e+01 2.217673740e+02 2.217673740e+02 1.04 1.454186233e+02 1.454186233e+02 1.976842188e+02 1.976842188e+02 8.158004646e+01 8.158004646e+01 2.082940976e+02 2.082940976e+02 1.06 1.357823988e+02 1.357823988e+02 1.858026605e+02 1.858026605e+02 7.568521999e+01 7.568521999e+01 1.958423269e+02 1.958423269e+02 1.08 1.268199698e+02 1.268199698e+02 1.747337764e+02 1.747337764e+02 7.028746356e+01 7.028746356e+01 1.842802731e+02 1.842802731e+02 1.10 1.184601641e+02 1.184601641e+02 1.643848682e+02 1.643848682e+02 6.533276792e+01 6.533276791e+01 1.734986648e+02 1.734986648e+02 1.12 1.106528662e+02 1.106528662e+02 1.546746537e+02 1.546746537e+02 6.077301915e+01 6.077301915e+01 1.634070222e+02 1.634070222e+02 1.14 1.033509638e+02 1.033509638e+02 1.455320686e+02 1.455320686e+02 5.656369660e+01 5.656369660e+01 1.539343549e+02 1.539343549e+02 1.16 9.651225533e+01 9.651225533e+01 1.369085462e+02 1.369085462e+02 5.266909803e+01 5.266909803e+01 1.450177550e+02 1.450177550e+02 1.18 9.010021430e+01 9.010021430e+01 1.287627644e+02 1.287627644e+02 4.906262792e+01 4.906262792e+01 1.366038974e+02 1.366038974e+02 1.20 8.408515595e+01 8.408515595e+01 1.210572914e+02 1.210572914e+02 4.571895581e+01 4.571895581e+01 1.286493800e+02 1.286493800e+02 1.22 7.843422865e+01 7.843422865e+01 1.137547820e+02 1.137547820e+02 4.261077868e+01 4.261077868e+01 1.211211350e+02 1.211211350e+02 1.24 7.313001636e+01 7.313001636e+01 1.068372164e+02 1.068372164e+02 3.972080064e+01 3.972080064e+01 1.139875393e+02 1.139875393e+02 1.26 6.814961662e+01 6.814961662e+01 1.002799189e+02 1.002799189e+02 3.702947800e+01 3.702947800e+01 1.072197122e+02 1.072197122e+02 1.28 6.347383444e+01 6.347383444e+01 9.406363592e+01 9.406363592e+01 3.452156643e+01 3.452156643e+01 1.007999221e+02 1.007999221e+02 1.30 5.908408709e+01 5.908408709e+01 8.816923177e+01 8.816923177e+01 3.218223397e+01 3.218223397e+01 9.470838924e+01 9.470838924e+01 1.32 5.496342292e+01 5.496342292e+01 8.257875261e+01 8.257875261e+01 2.999805012e+01 2.999805012e+01 8.892661950e+01 8.892661950e+01 1.34 5.109090480e+01 5.109090480e+01 7.728123972e+01 7.728123972e+01 2.795820586e+01 2.795820586e+01 8.343578708e+01 8.343578708e+01 1.36 4.745746359e+01 4.745746359e+01 7.226337344e+01 7.226337344e+01 2.605193743e+01 2.605193743e+01 7.822572382e+01 7.822572382e+01 1.38 4.404968946e+01 4.404968946e+01 6.751193157e+01 6.751193157e+01 2.426849565e+01 2.426849565e+01 7.328357532e+01 7.328357532e+01 1.40 4.085441751e+01 4.085441751e+01 6.301811469e+01 6.301811469e+01 2.260204553e+01 2.260204553e+01 6.859705408e+01 6.859705408e+01 1.42 3.786188130e+01 3.786188130e+01 5.877087197e+01 5.877087197e+01 2.104475170e+01 2.104475170e+01 6.415592188e+01 6.415592188e+01 1.44 3.506023586e+01 3.506023586e+01 5.475759993e+01 5.475759993e+01 1.955675966e+01 1.955675966e+01 5.995121886e+01 5.995121886e+01 1.46 3.243902466e+01 3.243902466e+01 5.096558605e+01 5.096558605e+01 1.819270900e+01 1.819270900e+01 5.597287786e+01 5.597287786e+01 1.48 2.998860586e+01 2.998860586e+01 4.738780770e+01 4.738780770e+01 1.691310965e+01 1.691310965e+01 5.221110408e+01 5.221110408e+01 1.50 2.769771228e+01 2.769771228e+01 4.401794735e+01 4.401794735e+01 1.571406966e+01 1.571406966e+01 4.865596581e+01 4.865596581e+01 1.52 2.555738436e+01 2.555738436e+01 4.084640315e+01 4.084640315e+01 1.459032016e+01 1.459032016e+01 4.530013119e+01 4.530013119e+01 1.54 2.356098486e+01 2.356098486e+01 3.786304356e+01 3.786304356e+01 1.353625060e+01 1.353625060e+01 4.213483677e+01 4.213483677e+01 1.56 2.169995539e+01 2.169995539e+01 3.506064033e+01 3.506064033e+01 1.254922967e+01 1.254922967e+01 3.915223772e+01 3.915223772e+01 1.58 1.996476820e+01 1.996476820e+01 3.243056787e+01 3.243056787e+01 1.162528452e+01 1.162528452e+01 3.634439858e+01 3.634439858e+01 1.60 1.834953087e+01 1.834953087e+01 2.996446726e+01 2.996446726e+01 1.072668004e+01 1.072668004e+01 3.370311831e+01 3.370311831e+01 1.62 1.681486981e+01 1.681486981e+01 2.765386850e+01 2.765386850e+01 9.894653736e+00 9.894653736e+00 3.121868545e+01 3.121868545e+01 1.64 1.541742432e+01 1.541742432e+01 2.549087518e+01 2.549087518e+01 9.096522750e+00 9.096522750e+00 2.888621859e+01 2.888621859e+01 1.66 1.411604176e+01 1.411604176e+01 2.346654101e+01 2.346654101e+01 8.331442490e+00 8.331442490e+00 2.669802395e+01 2.669802395e+01 1.68 1.290491642e+01 1.290491642e+01 2.157399400e+01 2.157399400e+01 7.599524324e+00 7.599524324e+00 2.464693390e+01 2.464693390e+01 1.70 1.178000136e+01 1.178000136e+01 1.980795438e+01 1.980795438e+01 6.901496172e+00 6.901496172e+00 2.272633216e+01 2.272633216e+01 1.72 1.073607941e+01 1.073607941e+01 1.816138542e+01 1.816138542e+01 6.237022638e+00 6.237022638e+00 2.092888821e+01 2.092888821e+01 1.74 9.768030084e+00 9.768030084e+00 1.662782279e+01 1.662782279e+01 5.605966165e+00 5.605966165e+00 1.924908019e+01 1.924908019e+01 1.76 8.833637199e+00 8.833637199e+00 1.516695298e+01 1.516695298e+01 5.006925018e+00 5.006925018e+00 1.768077457e+01 1.768077457e+01 1.78 7.978584460e+00 7.978584460e+00 1.383673765e+01 1.383673765e+01 4.439609492e+00 4.439609492e+00 1.621792275e+01 1.621792275e+01 1.80 7.171234996e+00 7.171234996e+00 1.259941986e+01 1.259941986e+01 3.904426864e+00 3.904426864e+00 1.482191915e+01 1.482191915e+01 1.82 6.409559298e+00 6.409559298e+00 1.144943470e+01 1.144943470e+01 3.400574556e+00 3.400574556e+00 1.355085598e+01 1.355085598e+01 1.84 5.691691125e+00 5.691691125e+00 1.038150206e+01 1.038150206e+01 2.927158654e+00 2.927158654e+00 1.236550339e+01 1.236550339e+01 1.86 5.015741161e+00 5.015741161e+00 9.360072169e+00 9.360072169e+00 2.483142634e+00 2.483142634e+00 1.126052262e+01 1.126052262e+01 1.88 4.380097278e+00 4.380097278e+00 8.430943364e+00 8.430943364e+00 2.067594435e+00 2.067594435e+00 1.020213785e+01 1.020213785e+01 1.90 3.783308951e+00 3.783308951e+00 7.555863907e+00 7.555863907e+00 1.679520347e+00 1.679520347e+00 9.235619516e+00 9.235619516e+00 1.92 3.223809833e+00 3.223809833e+00 6.731904133e+00 6.731904133e+00 1.317659217e+00 1.317659217e+00 8.323182778e+00 8.323182778e+00 1.94 2.700066927e+00 2.700066927e+00 5.955158915e+00 5.955158915e+00 9.808709337e-01 9.808709337e-01 7.463191504e+00 7.463191504e+00 1.96 2.210574883e+00 2.210574883e+00 5.225416941e+00 5.225416941e+00 6.684005208e-01 6.684005208e-01 6.653223309e+00 6.653223309e+00 1.98 1.753736882e+00 1.753736882e+00 4.538835311e+00 4.538835311e+00 3.791211392e-01 3.791211392e-01 5.890970328e+00 5.890970328e+00 2.00 1.328206533e+00 1.328206533e+00 3.894430566e+00 3.894430566e+00 1.110038679e-01 1.110038679e-01 5.174117754e+00 5.174117754e+00 2.02 9.325388811e-01 9.325388811e-01 3.291001902e+00 3.291001902e+00 -1.366597974e-01 -1.366597974e-01 4.500279347e+00 4.500279347e+00 2.04 5.638579759e-01 5.638579759e-01 2.726626055e+00 2.726626055e+00 -3.649516667e-01 -3.649516667e-01 3.867990323e+00 3.867990323e+00 2.06 2.223640163e-01 2.223640163e-01 2.199458837e+00 2.199458837e+00 -5.749281202e-01 -5.749281202e-01 3.275316564e+00 3.275316564e+00 2.08 -9.325394314e-02 -9.325394314e-02 1.707726394e+00 1.707726394e+00 -7.676156173e-01 -7.676156173e-01 2.720411660e+00 2.720411660e+00 2.10 -3.843512444e-01 -3.843512444e-01 1.249719153e+00 1.249719153e+00 -9.440071048e-01 -9.440071048e-01 2.201631282e+00 2.201631282e+00 2.12 -6.521513048e-01 -6.521513048e-01 8.237873700e-01 8.237873700e-01 -1.105059467e+00 -1.105059467e+00 1.717307179e+00 1.717307179e+00 2.14 -8.979292227e-01 -8.979292227e-01 4.283451692e-01 4.283451692e-01 -1.251684851e+00 -1.251684851e+00 1.265503014e+00 1.265503014e+00 2.16 -1.122084711e+00 -1.122084711e+00 6.140229749e-02 6.140229749e-02 -1.385069023e+00 -1.385069023e+00 8.442662664e-01 8.442662664e-01 2.18 -1.326181120e+00 -1.326181120e+00 -2.781761312e-01 -2.781761312e-01 -1.505129379e+00 -1.505129379e+00 4.525670625e-01 4.525670625e-01 2.20 -1.512096022e+00 -1.512096022e+00 -5.916568229e-01 -5.916568229e-01 -1.613136768e+00 -1.613136768e+00 8.919307137e-02 8.919307137e-02 2.22 -1.681451440e+00 -1.681451440e+00 -8.805455426e-01 -8.805455426e-01 -1.710117373e+00 -1.710117373e+00 -2.473058305e-01 -2.473058305e-01 2.24 -1.835866143e+00 -1.835866143e+00 -1.146086138e+00 -1.146086138e+00 -1.796740322e+00 -1.796740322e+00 -5.583373013e-01 -5.583373013e-01 2.26 -1.974991716e+00 -1.974991716e+00 -1.389523770e+00 -1.389523770e+00 -1.873663411e+00 -1.873663411e+00 -8.452958288e-01 -8.452958288e-01 2.28 -2.099941368e+00 -2.099941368e+00 -1.612097976e+00 -1.612097976e+00 -1.941532772e+00 -1.941532772e+00 -1.109397930e+00 -1.109397930e+00 2.30 -2.211512555e+00 -2.211512555e+00 -1.814510808e+00 -1.814510808e+00 -2.000959559e+00 -2.000959559e+00 -1.352352647e+00 -1.352352647e+00 2.32 -2.310508944e+00 -2.310508944e+00 -1.997209772e+00 -1.997209772e+00 -2.052521152e+00 -2.052521152e+00 -1.574970645e+00 -1.574970645e+00 2.34 -2.397757344e+00 -2.397757344e+00 -2.162654044e+00 -2.162654044e+00 -2.096762451e+00 -2.096762451e+00 -1.776826079e+00 -1.776826079e+00 2.36 -2.474042698e+00 -2.474042698e+00 -2.311854676e+00 -2.311854676e+00 -2.134197211e+00 -2.134197211e+00 -1.960527667e+00 -1.960527667e+00 2.38 -2.539679111e+00 -2.539679111e+00 -2.445781409e+00 -2.445781409e+00 -2.165309405e+00 -2.165309405e+00 -2.127118381e+00 -2.127118381e+00 2.40 -2.595502885e+00 -2.595502885e+00 -2.565360763e+00 -2.565360763e+00 -2.190553867e+00 -2.190553867e+00 -2.277907579e+00 -2.277907579e+00 2.42 -2.642466736e+00 -2.642466736e+00 -2.671521153e+00 -2.671521153e+00 -2.210409844e+00 -2.210409844e+00 -2.413739714e+00 -2.413739714e+00 2.44 -2.681261066e+00 -2.681261066e+00 -2.765066013e+00 -2.765066013e+00 -2.225232876e+00 -2.225232876e+00 -2.535411565e+00 -2.535411565e+00 2.46 -2.712488348e+00 -2.712488348e+00 -2.846792751e+00 -2.846792751e+00 -2.235393014e+00 -2.235393014e+00 -2.643763815e+00 -2.643763815e+00 2.48 -2.736783937e+00 -2.736783937e+00 -2.917569412e+00 -2.917569412e+00 -2.241247850e+00 -2.241247850e+00 -2.739721502e+00 -2.739721502e+00 2.50 -2.755009271e+00 -2.755009271e+00 -2.978347770e+00 -2.978347770e+00 -2.242813795e+00 -2.242813795e+00 -2.824289937e+00 -2.824289937e+00 2.52 -2.767206011e+00 -2.767206011e+00 -3.029454843e+00 -3.029454843e+00 -2.239314176e+00 -2.239314176e+00 -2.897856778e+00 -2.897856778e+00 2.54 -2.773835382e+00 -2.773835382e+00 -3.071018938e+00 -3.071018938e+00 -2.232594521e+00 -2.232594521e+00 -2.961144288e+00 -2.961144288e+00 2.56 -2.775337426e+00 -2.775337426e+00 -3.104056585e+00 -3.104056585e+00 -2.222876216e+00 -2.222876216e+00 -3.014687665e+00 -3.014687665e+00 2.58 -2.772125474e+00 -2.772125474e+00 -3.129332401e+00 -3.129332401e+00 -2.210387338e+00 -2.210387338e+00 -3.058745868e+00 -3.058745868e+00 2.60 -2.764587472e+00 -2.764587472e+00 -3.148688844e+00 -3.148688844e+00 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