# 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 = AuMo2Pb # 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 3.980962620e+02 3.980962620e+02 1.30 3.706455756e+02 3.706455756e+02 1.32 3.451345889e+02 3.451345889e+02 1.34 3.214073439e+02 3.214073439e+02 1.36 2.993291116e+02 2.993291116e+02 1.38 2.787823233e+02 2.787823233e+02 1.40 2.596611529e+02 2.596611529e+02 1.42 2.418663429e+02 2.418663429e+02 1.44 2.253022021e+02 2.253022021e+02 1.46 2.098762497e+02 2.098762497e+02 1.48 1.955005205e+02 1.955005205e+02 1.50 1.820932646e+02 1.820932646e+02 1.52 1.695801075e+02 1.695801075e+02 1.54 1.578942486e+02 1.578942486e+02 1.56 1.469756957e+02 1.469756957e+02 1.58 1.367699974e+02 1.367699974e+02 1.60 1.272269233e+02 1.272269233e+02 1.62 1.182994302e+02 1.182994302e+02 1.64 1.099430176e+02 1.099430176e+02 1.66 1.021155610e+02 1.021155610e+02 1.68 9.477758676e+01 9.477758676e+01 1.70 8.789286782e+01 8.789286782e+01 1.72 8.142913941e+01 8.142913941e+01 1.74 7.535866271e+01 7.535866271e+01 1.76 6.965837374e+01 6.965837374e+01 1.78 6.430941438e+01 6.430941438e+01 1.80 5.929713174e+01 5.929713174e+01 1.82 5.461994796e+01 5.461994796e+01 1.84 5.027649690e+01 5.027649690e+01 1.86 4.625097723e+01 4.625097723e+01 1.88 4.252382933e+01 4.252382933e+01 1.90 3.907487490e+01 3.907487490e+01 1.92 3.588389749e+01 3.588389749e+01 1.94 3.293121416e+01 3.293121416e+01 1.96 3.019808013e+01 3.019808013e+01 1.98 2.766692079e+01 2.766692079e+01 2.00 2.532142263e+01 2.532142263e+01 2.02 2.314653734e+01 2.314653734e+01 2.04 2.112842980e+01 2.112842980e+01 2.06 1.925439332e+01 1.925439332e+01 2.08 1.751275770e+01 1.751275770e+01 2.10 1.589280841e+01 1.589280841e+01 2.12 1.438474347e+01 1.438474347e+01 2.14 1.297965282e+01 1.297965282e+01 2.16 1.166950944e+01 1.166950944e+01 2.18 1.044714780e+01 1.044714780e+01 2.20 9.306211341e+00 9.306211341e+00 2.22 8.241073458e+00 8.241073458e+00 2.24 7.246737922e+00 7.246737922e+00 2.26 6.318734323e+00 6.318734323e+00 2.28 5.453021442e+00 5.453021442e+00 2.30 4.645901834e+00 4.645901834e+00 2.32 3.893951770e+00 3.893951770e+00 2.34 3.193973583e+00 3.193973583e+00 2.36 2.542953266e+00 2.542953266e+00 2.38 1.938035117e+00 1.938035117e+00 2.40 1.376506041e+00 1.376506041e+00 2.42 8.557898741e-01 8.557898741e-01 2.44 3.734483648e-01 3.734483648e-01 2.46 -7.281277921e-02 -7.281277921e-02 2.48 -4.851387475e-01 -4.851387475e-01 2.50 -8.655246847e-01 -8.655246847e-01 2.52 -1.215821025e+00 -1.215821025e+00 2.54 -1.537744477e+00 -1.537744477e+00 2.56 -1.832892111e+00 -1.832892111e+00 2.58 -2.102572258e+00 -2.102572258e+00 2.60 -2.348145789e+00 -2.348145789e+00 2.62 -2.571185592e+00 -2.571185592e+00 2.64 -2.773144673e+00 -2.773144673e+00 2.66 -2.955361118e+00 -2.955361118e+00 2.68 -3.119073035e+00 -3.119073035e+00 2.70 -3.265432540e+00 -3.265432540e+00 2.72 -3.395522856e+00 -3.395522856e+00 2.74 -3.510250379e+00 -3.510250379e+00 2.76 -3.610094918e+00 -3.610094918e+00 2.78 -3.695498319e+00 -3.695498319e+00 2.80 -3.766953692e+00 -3.766953692e+00 2.82 -3.824997487e+00 -3.824997487e+00 2.84 -3.870205404e+00 -3.870205404e+00 2.86 -3.903191621e+00 -3.903191621e+00 2.88 -3.924616060e+00 -3.924616060e+00 2.90 -3.935245844e+00 -3.935245844e+00 2.92 -3.935791844e+00 -3.935791844e+00 2.94 -3.926985689e+00 -3.926985689e+00 2.96 -3.909613985e+00 -3.909613985e+00 2.98 -3.884504874e+00 -3.884504874e+00 3.00 -3.852508334e+00 -3.852508334e+00 3.02 -3.814471524e+00 -3.814471524e+00 3.04 -3.771211354e+00 -3.771211354e+00 3.06 -3.723486423e+00 -3.723486423e+00 3.08 -3.671968512e+00 -3.671968512e+00 3.10 -3.617235619e+00 -3.617235619e+00 3.12 -3.559763559e+00 -3.559763559e+00 3.14 -3.499929086e+00 -3.499929086e+00 3.16 -3.438009970e+00 -3.438009970e+00 3.18 -3.374199829e+00 -3.374199829e+00 3.20 -3.308620351e+00 -3.308620351e+00 3.22 -3.241335842e+00 -3.241335842e+00 3.24 -3.172368172e+00 -3.172368172e+00 3.26 -3.101711954e+00 -3.101711954e+00 3.28 -3.029354475e+00 -3.029354475e+00 3.30 -2.955347531e+00 -2.955347531e+00 3.32 -2.879618491e+00 -2.879618491e+00 3.34 -2.802093203e+00 -2.802093203e+00 3.36 -2.722769565e+00 -2.722769565e+00 3.38 -2.641729490e+00 -2.641729490e+00 3.40 -2.559107644e+00 -2.559107644e+00 3.42 -2.475094569e+00 -2.475094569e+00 3.44 -2.389986659e+00 -2.389986659e+00 3.46 -2.304178350e+00 -2.304178350e+00 3.48 -2.218142087e+00 -2.218142087e+00 3.50 -2.132401921e+00 -2.132401921e+00 3.52 -2.047503252e+00 -2.047503252e+00 3.54 -1.963982002e+00 -1.963982002e+00 3.56 -1.882336439e+00 -1.882336439e+00 3.58 -1.803004350e+00 -1.803004350e+00 3.60 -1.726347236e+00 -1.726347236e+00 3.62 -1.652642103e+00 -1.652642103e+00 3.64 -1.582080374e+00 -1.582080374e+00 3.66 -1.514772647e+00 -1.514772647e+00 3.68 -1.450757627e+00 -1.450757627e+00 3.70 -1.390013439e+00 -1.390013439e+00 3.72 -1.332469739e+00 -1.332469739e+00 3.74 -1.278019389e+00 -1.278019389e+00 3.76 -1.226528897e+00 -1.226528897e+00 3.78 -1.177847238e+00 -1.177847238e+00 3.80 -1.131813003e+00 -1.131813003e+00 3.82 -1.088260012e+00 -1.088260012e+00 3.84 -1.047021673e+00 -1.047021673e+00 3.86 -1.007934311e+00 -1.007934311e+00 3.88 -9.708396980e-01 -9.708396980e-01 3.90 -9.355869274e-01 -9.355869274e-01 3.92 -9.020333465e-01 -9.020333465e-01 3.94 -8.700470094e-01 -8.700470094e-01 3.96 -8.395045577e-01 -8.395045577e-01 3.98 -8.102930940e-01 -8.102930940e-01 4.00 -7.823095202e-01 -7.823095202e-01 4.02 -7.554601597e-01 -7.554601597e-01 4.04 -7.296602641e-01 -7.296602641e-01 4.06 -7.048334662e-01 -7.048334662e-01 4.08 -6.809112359e-01 -6.809112359e-01 4.10 -6.578310176e-01 -6.578310176e-01 4.12 -6.355414648e-01 -6.355414648e-01 4.14 -6.139931348e-01 -6.139931348e-01 4.16 -5.931444521e-01 -5.931444521e-01 4.18 -5.729597769e-01 -5.729597769e-01 4.20 -5.534091398e-01 -5.534091398e-01 4.22 -5.344679373e-01 -5.344679373e-01 4.24 -5.161165422e-01 -5.161165422e-01 4.26 -4.983397853e-01 -4.983397853e-01 4.28 -4.811262824e-01 -4.811262824e-01 4.30 -4.644676019e-01 -4.644676019e-01 4.32 -4.483572991e-01 -4.483572991e-01 4.34 -4.327898678e-01 -4.327898678e-01 4.36 -4.177597025e-01 -4.177597025e-01 4.38 -4.032601503e-01 -4.032601503e-01 4.40 -3.892827398e-01 -3.892827398e-01 4.42 -3.758166442e-01 -3.758166442e-01 4.44 -3.628484211e-01 -3.628484211e-01 4.46 -3.503620155e-01 -3.503620155e-01 4.48 -3.383387035e-01 -3.383387035e-01 4.50 -3.267575931e-01 -3.267575931e-01 4.52 -3.155973240e-01 -3.155973240e-01 4.54 -3.048353507e-01 -3.048353507e-01 4.56 -2.944484845e-01 -2.944484845e-01 4.58 -2.844134347e-01 -2.844134347e-01 4.60 -2.747072533e-01 -2.747072533e-01 4.62 -2.653076863e-01 -2.653076863e-01 4.64 -2.561934405e-01 -2.561934405e-01 4.66 -2.473443857e-01 -2.473443857e-01 4.68 -2.387417086e-01 -2.387417086e-01 4.70 -2.303680393e-01 -2.303680393e-01 4.72 -2.222075639e-01 -2.222075639e-01 4.74 -2.142461338e-01 -2.142461338e-01 4.76 -2.064713802e-01 -2.064713802e-01 4.78 -1.988728319e-01 -1.988728319e-01 4.80 -1.914412372e-01 -1.914412372e-01 4.82 -1.841719835e-01 -1.841719835e-01 4.84 -1.770599979e-01 -1.770599979e-01 4.86 -1.701033990e-01 -1.701033990e-01 4.88 -1.633025223e-01 -1.633025223e-01 4.90 -1.566598123e-01 -1.566598123e-01 4.92 -1.501796188e-01 -1.501796188e-01 4.94 -1.438678893e-01 -1.438678893e-01 4.96 -1.377317627e-01 -1.377317627e-01 4.98 -1.317790820e-01 -1.317790820e-01 5.00 -1.260178526e-01 -1.260178526e-01 5.02 -1.204556870e-01 -1.204556870e-01 5.04 -1.150992787e-01 -1.150992787e-01 5.06 -1.099539484e-01 -1.099539484e-01 5.08 -1.050232988e-01 -1.050232988e-01 5.10 -1.003090008e-01 -1.003090008e-01 5.12 -9.581072161e-02 -9.581072161e-02 5.14 -9.152618541e-02 -9.152618541e-02 5.16 -8.745134712e-02 -8.745134712e-02 5.18 -8.358064869e-02 -8.358064869e-02 5.20 -7.990732335e-02 -7.990732335e-02 5.22 -7.642371391e-02 -7.642371391e-02 5.24 -7.312157567e-02 -7.312157567e-02 5.26 -6.999232736e-02 -6.999232736e-02 5.28 -6.702720857e-02 -6.702720857e-02 5.30 -6.421762171e-02 -6.421762171e-02 5.32 -6.155514520e-02 -6.155514520e-02 5.34 -5.903157153e-02 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-2.095562342e-02 -2.095562342e-02 5.88 -1.997533034e-02 -1.997533034e-02 5.90 -1.900820432e-02 -1.900820432e-02 5.92 -1.805416398e-02 -1.805416398e-02 5.94 -1.711347767e-02 -1.711347767e-02 5.96 -1.618669363e-02 -1.618669363e-02 5.98 -1.527480308e-02 -1.527480308e-02 6.00 -1.437914034e-02 -1.437914034e-02