# 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 = 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 2.959144646e+02 2.959144646e+02 nan nan 0.78 nan nan nan nan 2.666300146e+02 2.666300146e+02 nan nan 0.80 nan nan nan nan 2.409500645e+02 2.409500645e+02 nan nan 0.82 nan nan nan nan 2.183584893e+02 2.183584893e+02 nan nan 0.84 nan nan nan nan 1.984160606e+02 1.984160606e+02 nan nan 0.86 nan nan nan nan 1.807402292e+02 1.807402292e+02 nan nan 0.88 2.743706749e+02 2.743706749e+02 nan nan 1.650296605e+02 1.650296605e+02 nan nan 0.90 2.534187223e+02 2.534187223e+02 nan nan 1.510227946e+02 1.510227946e+02 nan nan 0.92 2.345429256e+02 2.345429256e+02 nan nan 1.384928771e+02 1.384928771e+02 nan nan 0.94 2.174459306e+02 2.174459306e+02 nan nan 1.272505534e+02 1.272505534e+02 nan nan 0.96 2.018975014e+02 2.018975014e+02 nan nan 1.171264305e+02 1.171264305e+02 nan nan 0.98 1.876877680e+02 1.876877680e+02 nan nan 1.079843875e+02 1.079843875e+02 2.665486675e+02 2.665486675e+02 1.00 1.746501578e+02 1.746501578e+02 2.358621479e+02 2.358621479e+02 9.970552758e+01 9.970552758e+01 2.491394937e+02 2.491394937e+02 1.02 1.626485195e+02 1.626485195e+02 2.208441835e+02 2.208441835e+02 9.218387530e+01 9.218387530e+01 2.332222766e+02 2.332222766e+02 1.04 1.515656855e+02 1.515656855e+02 2.069979073e+02 2.069979073e+02 8.533287335e+01 8.533287335e+01 2.186002071e+02 2.186002071e+02 1.06 1.413030865e+02 1.413030865e+02 1.941676488e+02 1.941676488e+02 7.907746688e+01 7.907746688e+01 2.051055373e+02 2.051055373e+02 1.08 1.317742371e+02 1.317742371e+02 1.822388604e+02 1.822388604e+02 7.335087509e+01 7.335087509e+01 1.925974770e+02 1.925974770e+02 1.10 1.229023162e+02 1.229023162e+02 1.711110154e+02 1.711110154e+02 6.809636949e+01 6.809636949e+01 1.809583814e+02 1.809583814e+02 1.12 1.146321704e+02 1.146321704e+02 1.606957804e+02 1.606957804e+02 6.326341231e+01 6.326341231e+01 1.700900979e+02 1.700900979e+02 1.14 1.069120818e+02 1.069120818e+02 1.509157350e+02 1.509157350e+02 5.880534520e+01 5.880534520e+01 1.599145453e+02 1.599145453e+02 1.16 9.969572072e+01 9.969572072e+01 1.417164715e+02 1.417164715e+02 5.468464430e+01 5.468464430e+01 1.503624504e+02 1.503624504e+02 1.18 9.294300173e+01 9.294300173e+01 1.330510255e+02 1.330510255e+02 5.087266160e+01 5.087266160e+01 1.413746801e+02 1.413746801e+02 1.20 8.662075111e+01 8.662075111e+01 1.248769952e+02 1.248769952e+02 4.734227976e+01 4.734227976e+01 1.329023404e+02 1.329023404e+02 1.22 8.069310547e+01 8.069310547e+01 1.171525491e+02 1.171525491e+02 4.406471397e+01 4.406471397e+01 1.249073323e+02 1.249073323e+02 1.24 7.513974965e+01 7.513974965e+01 1.098552759e+02 1.098552759e+02 4.102118791e+01 4.102118791e+01 1.173534584e+02 1.173534584e+02 1.26 6.993527079e+01 6.993527079e+01 1.029567261e+02 1.029567261e+02 3.819089212e+01 3.819089212e+01 1.102077832e+02 1.102077832e+02 1.28 6.505813027e+01 6.505813027e+01 9.643406932e+01 9.643406932e+01 3.555730279e+01 3.555730279e+01 1.034485379e+02 1.034485379e+02 1.30 6.048764513e+01 6.048764513e+01 9.026499207e+01 9.026499207e+01 3.310445013e+01 3.310445013e+01 9.705240083e+01 9.705240083e+01 1.32 5.620493011e+01 5.620493011e+01 8.442865027e+01 8.442865027e+01 3.081787973e+01 3.081787973e+01 9.099765908e+01 9.099765908e+01 1.34 5.218758797e+01 5.218758797e+01 7.891124131e+01 7.891124131e+01 2.868580563e+01 2.868580563e+01 8.526262120e+01 8.526262120e+01 1.36 4.842466437e+01 4.842466437e+01 7.369700255e+01 7.369700255e+01 2.669660317e+01 2.669660317e+01 7.983429834e+01 7.983429834e+01 1.38 4.490124864e+01 4.490124864e+01 6.877051774e+01 6.877051774e+01 2.483877019e+01 2.483877019e+01 7.469734884e+01 7.469734884e+01 1.40 4.160284965e+01 4.160284965e+01 6.412077169e+01 6.412077169e+01 2.310556195e+01 2.310556195e+01 6.983729693e+01 6.983729693e+01 1.42 3.851844708e+01 3.851844708e+01 5.973483285e+01 5.973483285e+01 2.148844381e+01 2.148844381e+01 6.524178681e+01 6.524178681e+01 1.44 3.563511708e+01 3.563511708e+01 5.559849306e+01 5.559849306e+01 1.994763622e+01 1.994763622e+01 6.089987225e+01 6.089987225e+01 1.46 3.294138070e+01 3.294138070e+01 5.169749155e+01 5.169749155e+01 1.853567847e+01 1.853567847e+01 5.679979374e+01 5.679979374e+01 1.48 3.042665119e+01 3.042665119e+01 4.802328275e+01 4.802328275e+01 1.721254785e+01 1.721254785e+01 5.293020896e+01 5.293020896e+01 1.50 2.807884466e+01 2.807884466e+01 4.456820438e+01 4.456820438e+01 1.597399855e+01 1.597399855e+01 4.927973122e+01 4.927973122e+01 1.52 2.588825144e+01 2.588825144e+01 4.132150153e+01 4.132150153e+01 1.481446595e+01 1.481446595e+01 4.583972978e+01 4.583972978e+01 1.54 2.384750996e+01 2.384750996e+01 3.827202310e+01 3.827202310e+01 1.372808236e+01 1.372808236e+01 4.260028335e+01 4.260028335e+01 1.56 2.194744487e+01 2.194744487e+01 3.541151988e+01 3.541151988e+01 1.271187104e+01 1.271187104e+01 3.955245849e+01 3.955245849e+01 1.58 2.017805678e+01 2.017805678e+01 3.273050298e+01 3.273050298e+01 1.176159653e+01 1.176159653e+01 3.668733756e+01 3.668733756e+01 1.60 1.853285662e+01 1.853285662e+01 3.021983372e+01 3.021983372e+01 1.084301515e+01 1.084301515e+01 3.399587624e+01 3.399587624e+01 1.62 1.697275984e+01 1.697275984e+01 2.787033869e+01 2.787033869e+01 9.993655962e+00 9.993655962e+00 3.146764942e+01 3.146764942e+01 1.64 1.555232725e+01 1.555232725e+01 2.567350247e+01 2.567350247e+01 9.179962390e+00 9.179962390e+00 2.909698798e+01 2.909698798e+01 1.66 1.423038199e+01 1.423038199e+01 2.361982824e+01 2.361982824e+01 8.400962762e+00 8.400962762e+00 2.687557254e+01 2.687557254e+01 1.68 1.300087995e+01 1.300087995e+01 2.170192317e+01 2.170192317e+01 7.656624129e+00 7.656624129e+00 2.479567559e+01 2.479567559e+01 1.70 1.185952468e+01 1.185952468e+01 1.991401551e+01 1.991401551e+01 6.947518942e+00 6.947518942e+00 2.285017432e+01 2.285017432e+01 1.72 1.080089297e+01 1.080089297e+01 1.824865763e+01 1.824865763e+01 6.273187800e+00 6.273187800e+00 2.103131533e+01 2.103131533e+01 1.74 9.819683806e+00 9.819683806e+00 1.669901764e+01 1.669901764e+01 5.633376025e+00 5.633376025e+00 1.933311937e+01 1.933311937e+01 1.76 8.878308640e+00 8.878308640e+00 1.522525462e+01 1.522525462e+01 5.026633612e+00 5.026633612e+00 1.774908733e+01 1.774908733e+01 1.78 8.016687936e+00 8.016687936e+00 1.388364671e+01 1.388364671e+01 4.452562992e+00 4.452562992e+00 1.627284698e+01 1.627284698e+01 1.80 7.203463514e+00 7.203463514e+00 1.263627510e+01 1.263627510e+01 3.911421482e+00 3.911421482e+00 1.489815419e+01 1.489815419e+01 1.82 6.436533013e+00 6.436533013e+00 1.147741475e+01 1.147741475e+01 3.402328275e+00 3.402328275e+00 1.358577929e+01 1.358577929e+01 1.84 5.713963061e+00 5.713963061e+00 1.040164283e+01 1.040164283e+01 2.924318731e+00 2.924318731e+00 1.239225375e+01 1.239225375e+01 1.86 5.033808262e+00 5.033808262e+00 9.403657661e+00 9.403657661e+00 2.476295178e+00 2.476295178e+00 1.128013014e+01 1.128013014e+01 1.88 4.394400869e+00 4.394400869e+00 8.443827684e+00 8.443827684e+00 2.057328939e+00 2.057328939e+00 1.023443245e+01 1.023443245e+01 1.90 3.794237164e+00 3.794237164e+00 7.566909384e+00 7.566909384e+00 1.666237431e+00 1.666237431e+00 9.249151111e+00 9.249151111e+00 1.92 3.231708648e+00 3.231708648e+00 6.741357801e+00 6.741357801e+00 1.301785866e+00 1.301785866e+00 8.335210642e+00 8.335210642e+00 1.94 2.705245504e+00 2.705245504e+00 5.963306532e+00 5.963306532e+00 9.627914330e-01 9.627914330e-01 7.473894394e+00 7.473894394e+00 1.96 2.213310319e+00 2.213310319e+00 5.232406712e+00 5.232406712e+00 6.480663611e-01 6.480663611e-01 6.662748277e+00 6.662748277e+00 1.98 1.754279387e+00 1.754279387e+00 4.544824568e+00 4.544824568e+00 3.570288052e-01 3.570288052e-01 5.899437315e+00 5.899437315e+00 2.00 1.326781212e+00 1.326781212e+00 3.899534968e+00 3.899534968e+00 8.763586861e-02 8.763586860e-02 5.181631423e+00 5.181631423e+00 2.02 9.293504616e-01 9.293504616e-01 3.295299978e+00 3.295299978e+00 -1.610508277e-01 -1.610508277e-01 4.506943885e+00 4.506943885e+00 2.04 5.591836768e-01 5.591836768e-01 2.730181358e+00 2.730181358e+00 -3.901398400e-01 -3.901398400e-01 3.873866718e+00 3.873866718e+00 2.06 2.163670528e-01 2.163670528e-01 2.202323149e+00 2.202323149e+00 -6.007118242e-01 -6.007118242e-01 3.280455271e+00 3.280455271e+00 2.08 -1.004285340e-01 -1.004285340e-01 1.709942460e+00 1.709942460e+00 -7.938152768e-01 -7.938152768e-01 2.724851995e+00 2.724851995e+00 2.10 -3.925700632e-01 -3.925700632e-01 1.251322954e+00 1.251322954e+00 -9.704631603e-01 -9.704631603e-01 2.205405556e+00 2.205405556e+00 2.12 -6.612336590e-01 -6.612336590e-01 8.248099732e-01 8.248099732e-01 -1.131630540e+00 -1.131630540e+00 1.720442839e+00 1.720442839e+00 2.14 -9.078279458e-01 -9.078279458e-01 4.288137807e-01 4.288137807e-01 -1.278246336e+00 -1.278246336e+00 1.268039609e+00 1.268039609e+00 2.16 -1.133285330e+00 -1.133285330e+00 6.136349403e-02 6.136349403e-02 -1.411460317e+00 -1.411460317e+00 8.462548069e-01 8.462548069e-01 2.18 -1.338028397e+00 -1.338028397e+00 -2.786962870e-01 -2.786962870e-01 -1.531600752e+00 -1.531600752e+00 4.540316501e-01 4.540316501e-01 2.20 -1.524492577e+00 -1.524492577e+00 -5.926374428e-01 -5.926374428e-01 -1.639308606e+00 -1.639308606e+00 9.015036197e-02 9.015036197e-02 2.22 -1.694292096e+00 -1.694292096e+00 -8.819609111e-01 -8.819609111e-01 -1.735913916e+00 -1.735913916e+00 -2.468386517e-01 -2.468386517e-01 2.24 -1.849034757e+00 -1.849034757e+00 -1.147914264e+00 -1.147914264e+00 -1.822098011e+00 -1.822098011e+00 -5.583421442e-01 -5.583421442e-01 2.26 -1.988416847e+00 -1.988416847e+00 -1.391744034e+00 -1.391744034e+00 -1.898528723e+00 -1.898528723e+00 -8.457531750e-01 -8.457531750e-01 2.28 -2.113555355e+00 -2.113555355e+00 -1.614689098e+00 -1.614689098e+00 -1.965860511e+00 -1.965860511e+00 -1.110288079e+00 -1.110288079e+00 2.30 -2.225254014e+00 -2.225254014e+00 -1.817858247e+00 -1.817858247e+00 -2.024712042e+00 -2.024712042e+00 -1.353641709e+00 -1.353641709e+00 2.32 -2.324322008e+00 -2.324322008e+00 -2.001021678e+00 -2.001021678e+00 -2.075667461e+00 -2.075667461e+00 -1.576647614e+00 -1.576647614e+00 2.34 -2.411590751e+00 -2.411590751e+00 -2.166807200e+00 -2.166807200e+00 -2.119277745e+00 -2.119277745e+00 -1.779400117e+00 -1.779400117e+00 2.36 -2.487849527e+00 -2.487849527e+00 -2.316320620e+00 -2.316320620e+00 -2.156062104e+00 -2.156062104e+00 -1.963416796e+00 -1.963416796e+00 2.38 -2.553716517e+00 -2.553716517e+00 -2.450531879e+00 -2.450531879e+00 -2.186509387e+00 -2.186509387e+00 -2.130351850e+00 -2.130351850e+00 2.40 -2.609427597e+00 -2.609427597e+00 -2.570367801e+00 -2.570367801e+00 -2.211078787e+00 -2.211078787e+00 -2.281446642e+00 -2.281446642e+00 2.42 -2.656246588e+00 -2.656246588e+00 -2.676756778e+00 -2.676756778e+00 -2.230253205e+00 -2.230253205e+00 -2.417552978e+00 -2.417552978e+00 2.44 -2.694878726e+00 -2.694878726e+00 -2.770503147e+00 -2.770503147e+00 -2.244391842e+00 -2.244391842e+00 -2.539472114e+00 -2.539472114e+00 2.46 -2.725913104e+00 -2.725913104e+00 -2.852405004e+00 -2.852405004e+00 -2.253867821e+00 -2.253867821e+00 -2.648046001e+00 -2.648046001e+00 2.48 -2.749984350e+00 -2.749984350e+00 -2.923325198e+00 -2.923325198e+00 -2.259039381e+00 -2.259039381e+00 -2.744194136e+00 -2.744194136e+00 2.50 -2.767944054e+00 -2.767944054e+00 -2.984203802e+00 -2.984203802e+00 -2.260233367e+00 -2.260233367e+00 -2.828909762e+00 -2.828909762e+00 2.52 -2.779856403e+00 -2.779856403e+00 -3.035391710e+00 -3.035391710e+00 -2.256496944e+00 -2.256496944e+00 -2.902602651e+00 -2.902602651e+00 2.54 -2.786185146e+00 -2.786185146e+00 -3.077293252e+00 -3.077293252e+00 -2.249130314e+00 -2.249130314e+00 -2.965995084e+00 -2.965995084e+00 2.56 -2.787372641e+00 -2.787372641e+00 -3.110383614e+00 -3.110383614e+00 -2.238765664e+00 -2.238765664e+00 -3.019772513e+00 -3.019772513e+00 2.58 -2.783834387e+00 -2.783834387e+00 -3.135691014e+00 -3.135691014e+00 -2.225640957e+00 -2.225640957e+00 -3.064016652e+00 -3.064016652e+00 2.60 -2.775960352e+00 -2.775960352e+00 -3.155007933e+00 -3.155007933e+00 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