# 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 = AuCu # 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 7.653782295e+02 7.653782295e+02 nan nan 0.78 nan nan nan nan 6.856856990e+02 6.856856990e+02 nan nan 0.80 nan nan nan nan 6.144959253e+02 6.144959253e+02 nan nan 0.82 nan nan nan nan 5.508369549e+02 5.508369549e+02 nan nan 0.84 nan nan nan nan 4.938627475e+02 4.938627475e+02 nan nan 0.86 nan nan nan nan 4.428227965e+02 4.428227965e+02 nan nan 0.88 6.645607311e+02 6.645607311e+02 nan nan 3.970941571e+02 3.970941571e+02 nan nan 0.90 5.992711994e+02 5.992711994e+02 nan nan 3.561097003e+02 3.561097003e+02 nan nan 0.92 5.404967910e+02 5.404967910e+02 nan nan 3.193750337e+02 3.193750337e+02 nan nan 0.94 4.875850124e+02 4.875850124e+02 nan nan 2.864465960e+02 2.864465960e+02 nan nan 0.96 4.399446966e+02 4.399446966e+02 nan nan 2.569368879e+02 2.569368879e+02 nan nan 0.98 3.970455067e+02 3.970455067e+02 nan nan 2.304889520e+02 2.304889520e+02 5.918723184e+02 5.918723184e+02 1.00 3.584191378e+02 3.584191378e+02 5.071618538e+02 5.071618538e+02 2.067951395e+02 2.067951395e+02 5.384485008e+02 5.384485008e+02 1.02 3.236486229e+02 3.236486229e+02 4.604738421e+02 4.604738421e+02 1.855698936e+02 1.855698936e+02 4.901792642e+02 4.901792642e+02 1.04 2.923515318e+02 2.923515318e+02 4.182944239e+02 4.182944239e+02 1.665604101e+02 1.665604101e+02 4.465436857e+02 4.465436857e+02 1.06 2.641859912e+02 2.641859912e+02 3.801805356e+02 3.801805356e+02 1.495424836e+02 1.495424836e+02 4.070805148e+02 4.070805148e+02 1.08 2.388406256e+02 2.388406256e+02 3.457424749e+02 3.457424749e+02 1.343095024e+02 1.343095024e+02 3.713714914e+02 3.713714914e+02 1.10 2.160400686e+02 2.160400686e+02 3.146236061e+02 3.146236061e+02 1.206770989e+02 1.206770989e+02 3.390472968e+02 3.390472968e+02 1.12 1.955248143e+02 1.955248143e+02 2.865004607e+02 2.865004607e+02 1.084788830e+02 1.084788830e+02 3.097758970e+02 3.097758970e+02 1.14 1.770673830e+02 1.770673830e+02 2.610816357e+02 2.610816357e+02 9.756530797e+01 9.756530797e+01 2.832574331e+02 2.832574331e+02 1.16 1.604621044e+02 1.604621044e+02 2.380949713e+02 2.380949713e+02 8.779475045e+01 8.779475045e+01 2.592212212e+02 2.592212212e+02 1.18 1.455165475e+02 1.455165475e+02 2.173050263e+02 2.173050263e+02 7.904968375e+01 7.904968375e+01 2.374220149e+02 2.374220149e+02 1.20 1.320636628e+02 1.320636628e+02 1.984947693e+02 1.984947693e+02 7.122261871e+01 7.122261871e+01 2.176431362e+02 2.176431362e+02 1.22 1.199529208e+02 1.199529208e+02 1.814709490e+02 1.814709490e+02 6.421603576e+01 6.421603576e+01 1.996852970e+02 1.996852970e+02 1.24 1.090437655e+02 1.090437655e+02 1.660553427e+02 1.660553427e+02 5.794014594e+01 5.794014594e+01 1.833704538e+02 1.833704538e+02 1.26 9.921185893e+01 9.921185893e+01 1.520859127e+02 1.520859127e+02 5.231438892e+01 5.231438892e+01 1.685348255e+02 1.685348255e+02 1.28 9.034560756e+01 9.034560756e+01 1.394191225e+02 1.394191225e+02 4.726891154e+01 4.726891154e+01 1.550355560e+02 1.550355560e+02 1.30 8.234403650e+01 8.234403650e+01 1.279243072e+02 1.279243072e+02 4.274071708e+01 4.274071708e+01 1.427416515e+02 1.427416515e+02 1.32 7.511709063e+01 7.511709063e+01 1.174835320e+02 1.174835320e+02 3.867301573e+01 3.867301573e+01 1.315350999e+02 1.315350999e+02 1.34 6.857778720e+01 6.857778720e+01 1.079924569e+02 1.079924569e+02 3.501481227e+01 3.501481227e+01 1.213085180e+02 1.213085180e+02 1.36 6.265797995e+01 6.265797995e+01 9.935365305e+01 9.935365305e+01 3.171957440e+01 3.171957440e+01 1.119666834e+02 1.119666834e+02 1.38 5.729424783e+01 5.729424783e+01 9.148054424e+01 9.148054424e+01 2.874589499e+01 2.874589499e+01 1.034234708e+02 1.034234708e+02 1.40 5.242849592e+01 5.242849592e+01 8.429917783e+01 8.429917783e+01 2.606082906e+01 2.606082906e+01 9.559835102e+01 9.559835102e+01 1.42 4.800783285e+01 4.800783285e+01 7.774029652e+01 7.774029652e+01 2.363240850e+01 2.363240850e+01 8.842278717e+01 8.842278717e+01 1.44 4.398509777e+01 4.398509777e+01 7.173975960e+01 7.173975960e+01 2.143535967e+01 2.143535967e+01 8.183651727e+01 8.183651727e+01 1.46 4.031896556e+01 4.031896556e+01 6.624366996e+01 6.624366996e+01 1.944533658e+01 1.944533658e+01 7.578232628e+01 7.578232628e+01 1.48 3.697287488e+01 3.697287488e+01 6.120299727e+01 6.120299727e+01 1.764196759e+01 1.764196759e+01 7.020916635e+01 7.020916635e+01 1.50 3.391413557e+01 3.391413557e+01 5.657274067e+01 5.657274067e+01 1.600563324e+01 1.600563324e+01 6.507319735e+01 6.507319735e+01 1.52 3.111328417e+01 3.111328417e+01 5.231298770e+01 5.231298770e+01 1.451885480e+01 1.451885480e+01 6.033309715e+01 6.033309715e+01 1.54 2.854370938e+01 2.854370938e+01 4.838745512e+01 4.838745512e+01 1.316554444e+01 1.316554444e+01 5.595202317e+01 5.595202317e+01 1.56 2.618180480e+01 2.618180480e+01 4.476550562e+01 4.476550562e+01 1.193324525e+01 1.193324525e+01 5.189812153e+01 5.189812153e+01 1.58 2.400563387e+01 2.400563387e+01 4.141870121e+01 4.141870121e+01 1.080983397e+01 1.080983397e+01 4.814252014e+01 4.814252014e+01 1.60 2.200031884e+01 2.200031884e+01 3.832163111e+01 3.832163111e+01 9.784561838e+00 9.784561838e+00 4.465862023e+01 4.465862023e+01 1.62 2.014926214e+01 2.014926214e+01 3.545158370e+01 3.545158370e+01 8.847896139e+00 8.847896139e+00 4.142213515e+01 4.142213515e+01 1.64 1.844108474e+01 1.844108474e+01 3.278740255e+01 3.278740255e+01 7.953177582e+00 7.953177582e+00 3.841255002e+01 3.841255002e+01 1.66 1.686355839e+01 1.686355839e+01 3.031208955e+01 3.031208955e+01 7.137306631e+00 7.137306631e+00 3.561096658e+01 3.561096658e+01 1.68 1.540498578e+01 1.540498578e+01 2.800942119e+01 2.800942119e+01 6.365767487e+00 6.365767487e+00 3.299982437e+01 3.299982437e+01 1.70 1.405472490e+01 1.405472490e+01 2.586432498e+01 2.586432498e+01 5.635737022e+00 5.635737022e+00 3.056360778e+01 3.056360778e+01 1.72 1.280415563e+01 1.280415563e+01 2.386376388e+01 2.386376388e+01 4.945180836e+00 4.945180836e+00 2.828780374e+01 2.828780374e+01 1.74 1.164520792e+01 1.164520792e+01 2.199600806e+01 2.199600806e+01 4.292670369e+00 4.292670369e+00 2.616078348e+01 2.616078348e+01 1.76 1.057002738e+01 1.057002738e+01 2.025183938e+01 2.025183938e+01 3.676072982e+00 3.676072982e+00 2.417120839e+01 2.417120839e+01 1.78 9.532524235e+00 9.532524235e+00 1.862081182e+01 1.862081182e+01 3.094730285e+00 3.094730285e+00 2.230877215e+01 2.230877215e+01 1.80 8.575708390e+00 8.575708390e+00 1.709781667e+01 1.709781667e+01 2.548898919e+00 2.548898919e+00 2.056570776e+01 2.056570776e+01 1.82 7.666952547e+00 7.666952547e+00 1.567532065e+01 1.567532065e+01 2.037720914e+00 2.037720914e+00 1.893194392e+01 1.893194392e+01 1.84 6.804422283e+00 6.804422283e+00 1.434646532e+01 1.434646532e+01 1.560311109e+00 1.560311109e+00 1.740306335e+01 1.740306335e+01 1.86 5.986427657e+00 5.986427657e+00 1.309074861e+01 1.309074861e+01 1.115608635e+00 1.115608635e+00 1.597072184e+01 1.597072184e+01 1.88 5.211889116e+00 5.211889116e+00 1.190464374e+01 1.190464374e+01 7.026271742e-01 7.026271742e-01 1.459996884e+01 1.459996884e+01 1.90 4.480065141e+00 4.480065141e+00 1.079239576e+01 1.079239576e+01 3.203841181e-01 3.203841181e-01 1.333347568e+01 1.333347568e+01 1.92 3.789999807e+00 3.789999807e+00 9.735265416e+00 9.735265416e+00 -3.230512076e-02 -3.230512076e-02 1.213071177e+01 1.213071177e+01 1.94 3.140751503e+00 3.140751503e+00 8.729919179e+00 8.729919179e+00 -3.564424463e-01 -3.564424463e-01 1.098894576e+01 1.098894576e+01 1.96 2.531351322e+00 2.531351322e+00 7.776784401e+00 7.776784401e+00 -6.520292452e-01 -6.520292452e-01 9.906022882e+00 9.906022882e+00 1.98 1.960717195e+00 1.960717195e+00 6.874471000e+00 6.874471000e+00 -9.223514411e-01 -9.223514411e-01 8.880009071e+00 8.880009071e+00 2.00 1.427789746e+00 1.427789746e+00 6.021293555e+00 6.021293555e+00 -1.168931004e+00 -1.168931004e+00 7.908977224e+00 7.908977224e+00 2.02 9.314034939e-01 9.314034939e-01 5.215770322e+00 5.215770322e+00 -1.392843475e+00 -1.392843475e+00 6.990908689e+00 6.990908689e+00 2.04 4.688960567e-01 4.688960567e-01 4.456571292e+00 4.456571292e+00 -1.595387066e+00 -1.595387066e+00 6.124597793e+00 6.124597793e+00 2.06 4.054819634e-02 4.054819634e-02 3.742349386e+00 3.742349386e+00 -1.777851896e+00 -1.777851896e+00 5.308361898e+00 5.308361898e+00 2.08 -3.549298275e-01 -3.549298275e-01 3.071727289e+00 3.071727289e+00 -1.941507703e+00 -1.941507703e+00 4.540663335e+00 4.540663335e+00 2.10 -7.189430726e-01 -7.189430726e-01 2.443292100e+00 2.443292100e+00 -2.087593521e+00 -2.087593521e+00 3.819826593e+00 3.819826593e+00 2.12 -1.052448715e+00 -1.052448715e+00 1.855595652e+00 1.855595652e+00 -2.217308497e+00 -2.217308497e+00 3.144179232e+00 3.144179232e+00 2.14 -1.356116189e+00 -1.356116189e+00 1.307165605e+00 1.307165605e+00 -2.331187248e+00 -2.331187248e+00 2.511658704e+00 2.511658704e+00 2.16 -1.632865856e+00 -1.632865856e+00 7.961107038e-01 7.961107038e-01 -2.431096570e+00 -2.431096570e+00 1.920651421e+00 1.920651421e+00 2.18 -1.883855810e+00 -1.883855810e+00 3.211921244e-01 3.211921244e-01 -2.518063126e+00 -2.518063126e+00 1.369777458e+00 1.369777458e+00 2.20 -2.110674265e+00 -2.110674265e+00 -1.190129650e-01 -1.190129650e-01 -2.592850857e+00 -2.592850857e+00 8.573111221e-01 8.573111221e-01 2.22 -2.315003837e+00 -2.315003837e+00 -5.262344150e-01 -5.262344150e-01 -2.656612482e+00 -2.656612482e+00 3.815558439e-01 3.815558439e-01 2.24 -2.498663796e+00 -2.498663796e+00 -9.018273657e-01 -9.018273657e-01 -2.710196175e+00 -2.710196175e+00 -5.917263300e-02 -5.917263300e-02 2.26 -2.662276578e+00 -2.662276578e+00 -1.246457892e+00 -1.246457892e+00 -2.754383744e+00 -2.754383744e+00 -4.665675182e-01 -4.665675182e-01 2.28 -2.807336418e+00 -2.807336418e+00 -1.561656216e+00 -1.561656216e+00 -2.789947946e+00 -2.789947946e+00 -8.421639968e-01 -8.421639968e-01 2.30 -2.934929390e+00 -2.934929390e+00 -1.849797402e+00 -1.849797402e+00 -2.817609249e+00 -2.817609249e+00 -1.186229700e+00 -1.186229700e+00 2.32 -3.046136432e+00 -3.046136432e+00 -2.112282754e+00 -2.112282754e+00 -2.838037882e+00 -2.838037882e+00 -1.501958357e+00 -1.501958357e+00 2.34 -3.141366627e+00 -3.141366627e+00 -2.350479393e+00 -2.350479393e+00 -2.851856146e+00 -2.851856146e+00 -1.790796380e+00 -1.790796380e+00 2.36 -3.222379729e+00 -3.222379729e+00 -2.565505958e+00 -2.565505958e+00 -2.859640870e+00 -2.859640870e+00 -2.054179067e+00 -2.054179067e+00 2.38 -3.290285652e+00 -3.290285652e+00 -2.758860251e+00 -2.758860251e+00 -2.861925948e+00 -2.861925948e+00 -2.293496842e+00 -2.293496842e+00 2.40 -3.346055588e+00 -3.346055588e+00 -2.931803449e+00 -2.931803449e+00 -2.859203006e+00 -2.859203006e+00 -2.510160675e+00 -2.510160675e+00 2.42 -3.390612990e+00 -3.390612990e+00 -3.085617063e+00 -3.085617063e+00 -2.852064126e+00 -2.852064126e+00 -2.705460619e+00 -2.705460619e+00 2.44 -3.424795447e+00 -3.424795447e+00 -3.221431617e+00 -3.221431617e+00 -2.840801036e+00 -2.840801036e+00 -2.880617154e+00 -2.880617154e+00 2.46 -3.449288248e+00 -3.449288248e+00 -3.340367534e+00 -3.340367534e+00 -2.824532384e+00 -2.824532384e+00 -3.036805143e+00 -3.036805143e+00 2.48 -3.465141299e+00 -3.465141299e+00 -3.443619053e+00 -3.443619053e+00 -2.804607043e+00 -2.804607043e+00 -3.175296136e+00 -3.175296136e+00 2.50 -3.473561357e+00 -3.473561357e+00 -3.531865483e+00 -3.531865483e+00 -2.781708975e+00 -2.781708975e+00 -3.297435045e+00 -3.297435045e+00 2.52 -3.474651156e+00 -3.474651156e+00 -3.606242269e+00 -3.606242269e+00 -2.756140025e+00 -2.756140025e+00 -3.403918354e+00 -3.403918354e+00 2.54 -3.469046076e+00 -3.469046076e+00 -3.667835405e+00 -3.667835405e+00 -2.728170746e+00 -2.728170746e+00 -3.495122996e+00 -3.495122996e+00 2.56 -3.457357084e+00 -3.457357084e+00 -3.717546663e+00 -3.717546663e+00 -2.698047962e+00 -2.698047962e+00 -3.572754762e+00 -3.572754762e+00 2.58 -3.440154181e+00 -3.440154181e+00 -3.756203007e+00 -3.756203007e+00 -2.666009827e+00 -2.666009827e+00 -3.637823336e+00 -3.637823336e+00 2.60 -3.417968246e+00 -3.417968246e+00 -3.785902477e+00 -3.785902477e+00 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