# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1990--Ackland-G-J-Vitek-V--Cu-Ag-Au # implementation = 1990--Ackland-G-J--Cu-Ag-Au--LAMMPS--ipr1 # composition = Ag2AuCu # 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 2023-05-12 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 2.638579389e+02 2.638579389e+02 0.92 2.447124098e+02 2.447124098e+02 0.94 2.271890378e+02 2.271890378e+02 0.96 2.111183107e+02 2.111183107e+02 0.98 1.963818009e+02 1.963818009e+02 1.00 1.828775626e+02 1.828775626e+02 1.02 1.704787730e+02 1.704787730e+02 1.04 1.590078962e+02 1.590078962e+02 1.06 1.483256100e+02 1.483256100e+02 1.08 1.383526663e+02 1.383526663e+02 1.10 1.290971028e+02 1.290971028e+02 1.12 1.205319402e+02 1.205319402e+02 1.14 1.125911749e+02 1.125911749e+02 1.16 1.052070978e+02 1.052070978e+02 1.18 9.831922394e+01 9.831922394e+01 1.20 9.189091521e+01 9.189091521e+01 1.22 8.588022172e+01 8.588022172e+01 1.24 8.025190718e+01 8.025190718e+01 1.26 7.497083986e+01 7.497083986e+01 1.28 7.001453750e+01 7.001453750e+01 1.30 6.537940641e+01 6.537940641e+01 1.32 6.105135397e+01 6.105135397e+01 1.34 5.700515289e+01 5.700515289e+01 1.36 5.322733128e+01 5.322733128e+01 1.38 4.970231853e+01 4.970231853e+01 1.40 4.640670382e+01 4.640670382e+01 1.42 4.332279737e+01 4.332279737e+01 1.44 4.044167378e+01 4.044167378e+01 1.46 3.775616788e+01 3.775616788e+01 1.48 3.525408463e+01 3.525408463e+01 1.50 3.292037173e+01 3.292037173e+01 1.52 3.074245597e+01 3.074245597e+01 1.54 2.870805177e+01 2.870805177e+01 1.56 2.680455385e+01 2.680455385e+01 1.58 2.501651373e+01 2.501651373e+01 1.60 2.333096057e+01 2.333096057e+01 1.62 2.173645459e+01 2.173645459e+01 1.64 2.022718161e+01 2.022718161e+01 1.66 1.880658899e+01 1.880658899e+01 1.68 1.747929759e+01 1.747929759e+01 1.70 1.624106884e+01 1.624106884e+01 1.72 1.508118306e+01 1.508118306e+01 1.74 1.398889528e+01 1.398889528e+01 1.76 1.295341338e+01 1.295341338e+01 1.78 1.196438285e+01 1.196438285e+01 1.80 1.101822193e+01 1.101822193e+01 1.82 1.011677100e+01 1.011677100e+01 1.84 9.263070853e+00 9.263070853e+00 1.86 8.457246937e+00 8.457246937e+00 1.88 7.696386659e+00 7.696386659e+00 1.90 6.977311696e+00 6.977311696e+00 1.92 6.296174777e+00 6.296174777e+00 1.94 5.649135886e+00 5.649135886e+00 1.96 5.033235843e+00 5.033235843e+00 1.98 4.446604060e+00 4.446604060e+00 2.00 3.888177089e+00 3.888177089e+00 2.02 3.358299715e+00 3.358299715e+00 2.04 2.857574357e+00 2.857574357e+00 2.06 2.386395360e+00 2.386395360e+00 2.08 1.943632523e+00 1.943632523e+00 2.10 1.527677635e+00 1.527677635e+00 2.12 1.136940851e+00 1.136940851e+00 2.14 7.698361678e-01 7.698361678e-01 2.16 4.247175227e-01 4.247175227e-01 2.18 9.990296921e-02 9.990296921e-02 2.20 -2.057301146e-01 -2.057301146e-01 2.22 -4.929731708e-01 -4.929731708e-01 2.24 -7.625913055e-01 -7.625913055e-01 2.26 -1.015369669e+00 -1.015369669e+00 2.28 -1.252111975e+00 -1.252111975e+00 2.30 -1.473538131e+00 -1.473538131e+00 2.32 -1.679751248e+00 -1.679751248e+00 2.34 -1.870340469e+00 -1.870340469e+00 2.36 -2.044991378e+00 -2.044991378e+00 2.38 -2.203751376e+00 -2.203751376e+00 2.40 -2.347412026e+00 -2.347412026e+00 2.42 -2.476753482e+00 -2.476753482e+00 2.44 -2.592727769e+00 -2.592727769e+00 2.46 -2.696283821e+00 -2.696283821e+00 2.48 -2.788365372e+00 -2.788365372e+00 2.50 -2.869910522e+00 -2.869910522e+00 2.52 -2.941830292e+00 -2.941830292e+00 2.54 -3.004843404e+00 -3.004843404e+00 2.56 -3.059589253e+00 -3.059589253e+00 2.58 -3.106582271e+00 -3.106582271e+00 2.60 -3.146106836e+00 -3.146106836e+00 2.62 -3.178421010e+00 -3.178421010e+00 2.64 -3.203781042e+00 -3.203781042e+00 2.66 -3.222441105e+00 -3.222441105e+00 2.68 -3.234757255e+00 -3.234757255e+00 2.70 -3.241560105e+00 -3.241560105e+00 2.72 -3.243809218e+00 -3.243809218e+00 2.74 -3.242295307e+00 -3.242295307e+00 2.76 -3.237596391e+00 -3.237596391e+00 2.78 -3.230274263e+00 -3.230274263e+00 2.80 -3.220880085e+00 -3.220880085e+00 2.82 -3.209478886e+00 -3.209478886e+00 2.84 -3.195212433e+00 -3.195212433e+00 2.86 -3.177101229e+00 -3.177101229e+00 2.88 -3.154139901e+00 -3.154139901e+00 2.90 -3.125356617e+00 -3.125356617e+00 2.92 -3.090692912e+00 -3.090692912e+00 2.94 -3.050706405e+00 -3.050706405e+00 2.96 -3.005967156e+00 -3.005967156e+00 2.98 -2.957041123e+00 -2.957041123e+00 3.00 -2.904489834e+00 -2.904489834e+00 3.02 -2.848870042e+00 -2.848870042e+00 3.04 -2.790733343e+00 -2.790733343e+00 3.06 -2.730625719e+00 -2.730625719e+00 3.08 -2.669052303e+00 -2.669052303e+00 3.10 -2.606315510e+00 -2.606315510e+00 3.12 -2.542637556e+00 -2.542637556e+00 3.14 -2.478246323e+00 -2.478246323e+00 3.16 -2.413370332e+00 -2.413370332e+00 3.18 -2.348216218e+00 -2.348216218e+00 3.20 -2.282935991e+00 -2.282935991e+00 3.22 -2.217670948e+00 -2.217670948e+00 3.24 -2.152559449e+00 -2.152559449e+00 3.26 -2.087736246e+00 -2.087736246e+00 3.28 -2.023331759e+00 -2.023331759e+00 3.30 -1.959471290e+00 -1.959471290e+00 3.32 -1.896274192e+00 -1.896274192e+00 3.34 -1.833853013e+00 -1.833853013e+00 3.36 -1.772312620e+00 -1.772312620e+00 3.38 -1.711749331e+00 -1.711749331e+00 3.40 -1.652250059e+00 -1.652250059e+00 3.42 -1.593891500e+00 -1.593891500e+00 3.44 -1.536739354e+00 -1.536739354e+00 3.46 -1.480847574e+00 -1.480847574e+00 3.48 -1.426255417e+00 -1.426255417e+00 3.50 -1.372941273e+00 -1.372941273e+00 3.52 -1.320822158e+00 -1.320822158e+00 3.54 -1.269786198e+00 -1.269786198e+00 3.56 -1.219756885e+00 -1.219756885e+00 3.58 -1.170748180e+00 -1.170748180e+00 3.60 -1.122788352e+00 -1.122788352e+00 3.62 -1.075916607e+00 -1.075916607e+00 3.64 -1.030175487e+00 -1.030175487e+00 3.66 -9.856085952e-01 -9.856085952e-01 3.68 -9.422603503e-01 -9.422603503e-01 3.70 -9.001756613e-01 -9.001756613e-01 3.72 -8.593994623e-01 -8.593994623e-01 3.74 -8.199760898e-01 -8.199760898e-01 3.76 -7.819522973e-01 -7.819522973e-01 3.78 -7.453774945e-01 -7.453774945e-01 3.80 -7.102978863e-01 -7.102978863e-01 3.82 -6.767559298e-01 -6.767559298e-01 3.84 -6.448061970e-01 -6.448061970e-01 3.86 -6.144029870e-01 -6.144029870e-01 3.88 -5.855090775e-01 -5.855090775e-01 3.90 -5.581496323e-01 -5.581496323e-01 3.92 -5.323408659e-01 -5.323408659e-01 3.94 -5.080777565e-01 -5.080777565e-01 3.96 -4.853484200e-01 -4.853484200e-01 3.98 -4.640613245e-01 -4.640613245e-01 4.00 -4.440364535e-01 -4.440364535e-01 4.02 -4.249708820e-01 -4.249708820e-01 4.04 -4.065933147e-01 -4.065933147e-01 4.06 -3.888587139e-01 -3.888587139e-01 4.08 -3.716908982e-01 -3.716908982e-01 4.10 -3.547561780e-01 -3.547561780e-01 4.12 -3.376157376e-01 -3.376157376e-01 4.14 -3.202820737e-01 -3.202820737e-01 4.16 -3.027479590e-01 -3.027479590e-01 4.18 -2.852512528e-01 -2.852512528e-01 4.20 -2.667676698e-01 -2.667676698e-01 4.22 -2.470534824e-01 -2.470534824e-01 4.24 -2.259994759e-01 -2.259994759e-01 4.26 -2.032219411e-01 -2.032219411e-01 4.28 -1.788739794e-01 -1.788739794e-01 4.30 -1.539970819e-01 -1.539970819e-01 4.32 -1.294489928e-01 -1.294489928e-01 4.34 -1.060963140e-01 -1.060963140e-01 4.36 -8.475875214e-02 -8.475875214e-02 4.38 -6.591414526e-02 -6.591414526e-02 4.40 -4.982212512e-02 -4.982212512e-02 4.42 -3.668304398e-02 -3.668304398e-02 4.44 -2.702915797e-02 -2.702915797e-02 4.46 -1.926226188e-02 -1.926226188e-02 4.48 -1.287709037e-02 -1.287709037e-02 4.50 -7.788700637e-03 -7.788700637e-03 4.52 -3.924667498e-03 -3.924667498e-03 4.54 -1.258124850e-03 -1.258124850e-03 4.56 -2.136055873e-08 -2.136055873e-08 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00