# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Ag2MgTa # 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 2024-04-11 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 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.560418086e+02 3.560418086e+02 1.30 3.298769148e+02 3.298769148e+02 1.32 3.056748883e+02 3.056748883e+02 1.34 2.832766975e+02 2.832766975e+02 1.36 2.625383518e+02 2.625383518e+02 1.38 2.433297994e+02 2.433297994e+02 1.40 2.255331488e+02 2.255331488e+02 1.42 2.090406834e+02 2.090406834e+02 1.44 1.937529581e+02 1.937529581e+02 1.46 1.795772482e+02 1.795772482e+02 1.48 1.664267023e+02 1.664267023e+02 1.50 1.542202807e+02 1.542202807e+02 1.52 1.428831052e+02 1.428831052e+02 1.54 1.323467423e+02 1.323467423e+02 1.56 1.225492186e+02 1.225492186e+02 1.58 1.134347646e+02 1.134347646e+02 1.60 1.049532762e+02 1.049532762e+02 1.62 9.705952881e+01 9.705952881e+01 1.64 8.971230710e+01 8.971230710e+01 1.66 8.287365103e+01 8.287365103e+01 1.68 7.650867376e+01 7.650867376e+01 1.70 7.058892862e+01 7.058892862e+01 1.72 6.508486879e+01 6.508486879e+01 1.74 5.996769949e+01 5.996769949e+01 1.76 5.521087597e+01 5.521087597e+01 1.78 5.079163105e+01 5.079163105e+01 1.80 4.668720924e+01 4.668720924e+01 1.82 4.287596842e+01 4.287596842e+01 1.84 3.933780549e+01 3.933780549e+01 1.86 3.605403859e+01 3.605403859e+01 1.88 3.300726540e+01 3.300726540e+01 1.90 3.018121709e+01 3.018121709e+01 1.92 2.756062184e+01 2.756062184e+01 1.94 2.513109156e+01 2.513109156e+01 1.96 2.287903884e+01 2.287903884e+01 1.98 2.079163073e+01 2.079163073e+01 2.00 1.885678073e+01 1.885678073e+01 2.02 1.706317588e+01 1.706317588e+01 2.04 1.540032655e+01 1.540032655e+01 2.06 1.385861097e+01 1.385861097e+01 2.08 1.242928340e+01 1.242928340e+01 2.10 1.110443186e+01 1.110443186e+01 2.12 9.876894062e+00 9.876894062e+00 2.14 8.740153710e+00 8.740153710e+00 2.16 7.688239655e+00 7.688239655e+00 2.18 6.715639349e+00 6.715639349e+00 2.20 5.817230757e+00 5.817230757e+00 2.22 4.988226607e+00 4.988226607e+00 2.24 4.224127300e+00 4.224127300e+00 2.26 3.520677728e+00 3.520677728e+00 2.28 2.873826597e+00 2.873826597e+00 2.30 2.279693062e+00 2.279693062e+00 2.32 1.734541724e+00 1.734541724e+00 2.34 1.234886888e+00 1.234886888e+00 2.36 7.772579289e-01 7.772579289e-01 2.38 3.581524881e-01 3.581524881e-01 2.40 -2.567472286e-02 -2.567472286e-02 2.42 -3.771820490e-01 -3.771820490e-01 2.44 -6.990289591e-01 -6.990289591e-01 2.46 -9.934820345e-01 -9.934820345e-01 2.48 -1.262230066e+00 -1.262230066e+00 2.50 -1.506829852e+00 -1.506829852e+00 2.52 -1.728803105e+00 -1.728803105e+00 2.54 -1.929627336e+00 -1.929627336e+00 2.56 -2.110734606e+00 -2.110734606e+00 2.58 -2.273513769e+00 -2.273513769e+00 2.60 -2.419311021e+00 -2.419311021e+00 2.62 -2.549424236e+00 -2.549424236e+00 2.64 -2.665090310e+00 -2.665090310e+00 2.66 -2.767466346e+00 -2.767466346e+00 2.68 -2.857613270e+00 -2.857613270e+00 2.70 -2.936485793e+00 -2.936485793e+00 2.72 -3.004932702e+00 -3.004932702e+00 2.74 -3.063706339e+00 -3.063706339e+00 2.76 -3.113477553e+00 -3.113477553e+00 2.78 -3.154851752e+00 -3.154851752e+00 2.80 -3.188383737e+00 -3.188383737e+00 2.82 -3.214588054e+00 -3.214588054e+00 2.84 -3.233947473e+00 -3.233947473e+00 2.86 -3.246918140e+00 -3.246918140e+00 2.88 -3.253933128e+00 -3.253933128e+00 2.90 -3.255404956e+00 -3.255404956e+00 2.92 -3.251727633e+00 -3.251727633e+00 2.94 -3.243278527e+00 -3.243278527e+00 2.96 -3.230420212e+00 -3.230420212e+00 2.98 -3.213552558e+00 -3.213552558e+00 3.00 -3.193157067e+00 -3.193157067e+00 3.02 -3.169412059e+00 -3.169412059e+00 3.04 -3.142484381e+00 -3.142484381e+00 3.06 -3.112559903e+00 -3.112559903e+00 3.08 -3.079835579e+00 -3.079835579e+00 3.10 -3.044514250e+00 -3.044514250e+00 3.12 -3.006797924e+00 -3.006797924e+00 3.14 -2.966883256e+00 -2.966883256e+00 3.16 -2.924960569e+00 -2.924960569e+00 3.18 -2.881220952e+00 -2.881220952e+00 3.20 -2.835845518e+00 -2.835845518e+00 3.22 -2.789005256e+00 -2.789005256e+00 3.24 -2.740864448e+00 -2.740864448e+00 3.26 -2.691593562e+00 -2.691593562e+00 3.28 -2.641374175e+00 -2.641374175e+00 3.30 -2.590311835e+00 -2.590311835e+00 3.32 -2.538514786e+00 -2.538514786e+00 3.34 -2.486101075e+00 -2.486101075e+00 3.36 -2.433193420e+00 -2.433193420e+00 3.38 -2.379858383e+00 -2.379858383e+00 3.40 -2.326092133e+00 -2.326092133e+00 3.42 -2.271920703e+00 -2.271920703e+00 3.44 -2.217397040e+00 -2.217397040e+00 3.46 -2.162588719e+00 -2.162588719e+00 3.48 -2.107566917e+00 -2.107566917e+00 3.50 -2.052397846e+00 -2.052397846e+00 3.52 -1.997137051e+00 -1.997137051e+00 3.54 -1.941826597e+00 -1.941826597e+00 3.56 -1.886494845e+00 -1.886494845e+00 3.58 -1.831158367e+00 -1.831158367e+00 3.60 -1.775825460e+00 -1.775825460e+00 3.62 -1.720500767e+00 -1.720500767e+00 3.64 -1.665190560e+00 -1.665190560e+00 3.66 -1.609908256e+00 -1.609908256e+00 3.68 -1.554679813e+00 -1.554679813e+00 3.70 -1.499548611e+00 -1.499548611e+00 3.72 -1.444579446e+00 -1.444579446e+00 3.74 -1.389861238e+00 -1.389861238e+00 3.76 -1.335508110e+00 -1.335508110e+00 3.78 -1.281658540e+00 -1.281658540e+00 3.80 -1.228472443e+00 -1.228472443e+00 3.82 -1.176126226e+00 -1.176126226e+00 3.84 -1.124806074e+00 -1.124806074e+00 3.86 -1.074699964e+00 -1.074699964e+00 3.88 -1.025989081e+00 -1.025989081e+00 3.90 -9.788394181e-01 -9.788394181e-01 3.92 -9.333942097e-01 -9.333942097e-01 3.94 -8.897686506e-01 -8.897686506e-01 3.96 -8.480452518e-01 -8.480452518e-01 3.98 -8.082729093e-01 -8.082729093e-01 4.00 -7.704673253e-01 -7.704673253e-01 4.02 -7.346134216e-01 -7.346134216e-01 4.04 -7.006691368e-01 -7.006691368e-01 4.06 -6.685701074e-01 -6.685701074e-01 4.08 -6.382347598e-01 -6.382347598e-01 4.10 -6.095691166e-01 -6.095691166e-01 4.12 -5.824728188e-01 -5.824728188e-01 4.14 -5.568414881e-01 -5.568414881e-01 4.16 -5.325717682e-01 -5.325717682e-01 4.18 -5.095639649e-01 -5.095639649e-01 4.20 -4.877243736e-01 -4.877243736e-01 4.22 -4.669669490e-01 -4.669669490e-01 4.24 -4.472143460e-01 -4.472143460e-01 4.26 -4.283983679e-01 -4.283983679e-01 4.28 -4.104598633e-01 -4.104598633e-01 4.30 -3.933481290e-01 -3.933481290e-01 4.32 -3.770198918e-01 -3.770198918e-01 4.34 -3.614379751e-01 -3.614379751e-01 4.36 -3.465697762e-01 -3.465697762e-01 4.38 -3.323857002e-01 -3.323857002e-01 4.40 -3.188576956e-01 -3.188576956e-01 4.42 -3.059580173e-01 -3.059580173e-01 4.44 -2.936583043e-01 -2.936583043e-01 4.46 -2.819290128e-01 -2.819290128e-01 4.48 -2.707391955e-01 -2.707391955e-01 4.50 -2.600565760e-01 -2.600565760e-01 4.52 -2.498478441e-01 -2.498478441e-01 4.54 -2.400790880e-01 -2.400790880e-01 4.56 -2.307162842e-01 -2.307162842e-01 4.58 -2.217257854e-01 -2.217257854e-01 4.60 -2.130747618e-01 -2.130747618e-01 4.62 -2.047315774e-01 -2.047315774e-01 4.64 -1.966660957e-01 -1.966660957e-01 4.66 -1.888499228e-01 -1.888499228e-01 4.68 -1.812566041e-01 -1.812566041e-01 4.70 -1.738617926e-01 -1.738617926e-01 4.72 -1.666434075e-01 -1.666434075e-01 4.74 -1.595817974e-01 -1.595817974e-01 4.76 -1.526599180e-01 -1.526599180e-01 4.78 -1.458635282e-01 -1.458635282e-01 4.80 -1.391812045e-01 -1.391812045e-01 4.82 -1.326053704e-01 -1.326053704e-01 4.84 -1.261312087e-01 -1.261312087e-01 4.86 -1.197577112e-01 -1.197577112e-01 4.88 -1.134875153e-01 -1.134875153e-01 4.90 -1.073268680e-01 -1.073268680e-01 4.92 -1.012854467e-01 -1.012854467e-01 4.94 -9.537601153e-02 -9.537601153e-02 4.96 -8.961388010e-02 -8.961388010e-02 4.98 -8.401622775e-02 -8.401622775e-02 5.00 -7.860124359e-02 -7.860124359e-02 5.02 -7.338718952e-02 -7.338718952e-02 5.04 -6.839142722e-02 -6.839142722e-02 5.06 -6.362948821e-02 -6.362948821e-02 5.08 -5.911425827e-02 -5.911425827e-02 5.10 -5.485534158e-02 -5.485534158e-02 5.12 -5.085863924e-02 -5.085863924e-02 5.14 -4.712618783e-02 -4.712618783e-02 5.16 -4.365622570e-02 -4.365622570e-02 5.18 -4.044346161e-02 -4.044346161e-02 5.20 -3.747917505e-02 -3.747917505e-02 5.22 -3.475190773e-02 -3.475190773e-02 5.24 -3.224929129e-02 -3.224929129e-02 5.26 -2.995740619e-02 -2.995740619e-02 5.28 -2.786125369e-02 -2.786125369e-02 5.30 -2.594553969e-02 -2.594553969e-02 5.32 -2.419514418e-02 -2.419514418e-02 5.34 -2.259537548e-02 -2.259537548e-02 5.36 -2.113222846e-02 -2.113222846e-02 5.38 -1.979263676e-02 -1.979263676e-02 5.40 -1.856460063e-02 -1.856460063e-02 5.42 -1.743721214e-02 -1.743721214e-02 5.44 -1.640065351e-02 -1.640065351e-02 5.46 -1.544615348e-02 -1.544615348e-02 5.48 -1.456591336e-02 -1.456591336e-02 5.50 -1.375301378e-02 -1.375301378e-02 5.52 -1.300131149e-02 -1.300131149e-02 5.54 -1.230533492e-02 -1.230533492e-02 5.56 -1.166018480e-02 -1.166018480e-02 5.58 -1.106144496e-02 -1.106144496e-02 5.60 -1.050510609e-02 -1.050510609e-02 5.62 -9.987503713e-03 -9.987503713e-03 5.64 -9.505269848e-03 -9.505269848e-03 5.66 -9.055296846e-03 -9.055296846e-03 5.68 -8.634711093e-03 -8.634711093e-03 5.70 -8.240854097e-03 -8.240854097e-03 5.72 -7.871268536e-03 -7.871268536e-03 5.74 -7.523687276e-03 -7.523687276e-03 5.76 -7.196023789e-03 -7.196023789e-03 5.78 -6.886362963e-03 -6.886362963e-03 5.80 -6.592951724e-03 -6.592951724e-03 5.82 -6.314189257e-03 -6.314189257e-03 5.84 -6.048616863e-03 -6.048616863e-03 5.86 -5.794907665e-03 -5.794907665e-03 5.88 -5.551856450e-03 -5.551856450e-03 5.90 -5.318369934e-03 -5.318369934e-03 5.92 -5.093457768e-03 -5.093457768e-03 5.94 -4.876224501e-03 -4.876224501e-03 5.96 -4.665862730e-03 -4.665862730e-03 5.98 -4.461647554e-03 -4.461647554e-03 6.00 -4.262932409e-03 -4.262932409e-03