# 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 = AlAuCu2 # 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 1.403405944e+02 1.403405944e+02 1.30 1.296807693e+02 1.296807693e+02 1.32 1.198118899e+02 1.198118899e+02 1.34 1.106753173e+02 1.106753173e+02 1.36 1.022149104e+02 1.022149104e+02 1.38 9.437702948e+01 9.437702948e+01 1.40 8.711169829e+01 8.711169829e+01 1.42 8.037338496e+01 8.037338496e+01 1.44 7.412085044e+01 7.412085044e+01 1.46 6.831641433e+01 6.831641433e+01 1.48 6.292536167e+01 6.292536167e+01 1.50 5.791592445e+01 5.791592445e+01 1.52 5.325941281e+01 5.325941281e+01 1.54 4.892984049e+01 4.892984049e+01 1.56 4.490316726e+01 4.490316726e+01 1.58 4.115716289e+01 4.115716289e+01 1.60 3.768044831e+01 3.768044831e+01 1.62 3.445652574e+01 3.445652574e+01 1.64 3.146638309e+01 3.146638309e+01 1.66 2.869403380e+01 2.869403380e+01 1.68 2.612336639e+01 2.612336639e+01 1.70 2.373941663e+01 2.373941663e+01 1.72 2.152867818e+01 2.152867818e+01 1.74 1.947908377e+01 1.947908377e+01 1.76 1.757980287e+01 1.757980287e+01 1.78 1.582091964e+01 1.582091964e+01 1.80 1.419311020e+01 1.419311020e+01 1.82 1.268743988e+01 1.268743988e+01 1.84 1.129533606e+01 1.129533606e+01 1.86 1.000868428e+01 1.000868428e+01 1.88 8.819936657e+00 8.819936657e+00 1.90 7.722148213e+00 7.722148213e+00 1.92 6.708917278e+00 6.708917278e+00 1.94 5.774258636e+00 5.774258636e+00 1.96 4.912471156e+00 4.912471156e+00 1.98 4.118071464e+00 4.118071464e+00 2.00 3.385833714e+00 3.385833714e+00 2.02 2.710908467e+00 2.710908467e+00 2.04 2.088937646e+00 2.088937646e+00 2.06 1.516088321e+00 1.516088321e+00 2.08 9.889892923e-01 9.889892923e-01 2.10 5.046130294e-01 5.046130294e-01 2.12 6.015913706e-02 6.015913706e-02 2.14 -3.470275992e-01 -3.470275992e-01 2.16 -7.194991376e-01 -7.194991376e-01 2.18 -1.059714998e+00 -1.059714998e+00 2.20 -1.370032821e+00 -1.370032821e+00 2.22 -1.652687574e+00 -1.652687574e+00 2.24 -1.909767658e+00 -1.909767658e+00 2.26 -2.143196911e+00 -2.143196911e+00 2.28 -2.354730253e+00 -2.354730253e+00 2.30 -2.545964705e+00 -2.545964705e+00 2.32 -2.718359083e+00 -2.718359083e+00 2.34 -2.873250988e+00 -2.873250988e+00 2.36 -3.011863846e+00 -3.011863846e+00 2.38 -3.135305866e+00 -3.135305866e+00 2.40 -3.244569958e+00 -3.244569958e+00 2.42 -3.340543214e+00 -3.340543214e+00 2.44 -3.424028285e+00 -3.424028285e+00 2.46 -3.495772689e+00 -3.495772689e+00 2.48 -3.556499332e+00 -3.556499332e+00 2.50 -3.606932658e+00 -3.606932658e+00 2.52 -3.647817525e+00 -3.647817525e+00 2.54 -3.679931758e+00 -3.679931758e+00 2.56 -3.704153758e+00 -3.704153758e+00 2.58 -3.721447658e+00 -3.721447658e+00 2.60 -3.733241062e+00 -3.733241062e+00 2.62 -3.740549065e+00 -3.740549065e+00 2.64 -3.743680628e+00 -3.743680628e+00 2.66 -3.742617471e+00 -3.742617471e+00 2.68 -3.737414652e+00 -3.737414652e+00 2.70 -3.728173928e+00 -3.728173928e+00 2.72 -3.715025363e+00 -3.715025363e+00 2.74 -3.698110813e+00 -3.698110813e+00 2.76 -3.677585151e+00 -3.677585151e+00 2.78 -3.653634976e+00 -3.653634976e+00 2.80 -3.626451318e+00 -3.626451318e+00 2.82 -3.596189385e+00 -3.596189385e+00 2.84 -3.562972434e+00 -3.562972434e+00 2.86 -3.526901739e+00 -3.526901739e+00 2.88 -3.488068490e+00 -3.488068490e+00 2.90 -3.446565774e+00 -3.446565774e+00 2.92 -3.402499509e+00 -3.402499509e+00 2.94 -3.355997928e+00 -3.355997928e+00 2.96 -3.307219545e+00 -3.307219545e+00 2.98 -3.256359408e+00 -3.256359408e+00 3.00 -3.203652912e+00 -3.203652912e+00 3.02 -3.149375864e+00 -3.149375864e+00 3.04 -3.093839307e+00 -3.093839307e+00 3.06 -3.037378228e+00 -3.037378228e+00 3.08 -2.980334515e+00 -2.980334515e+00 3.10 -2.923036538e+00 -2.923036538e+00 3.12 -2.865778836e+00 -2.865778836e+00 3.14 -2.808805831e+00 -2.808805831e+00 3.16 -2.752302222e+00 -2.752302222e+00 3.18 -2.696391094e+00 -2.696391094e+00 3.20 -2.641138699e+00 -2.641138699e+00 3.22 -2.586563842e+00 -2.586563842e+00 3.24 -2.532649517e+00 -2.532649517e+00 3.26 -2.479354799e+00 -2.479354799e+00 3.28 -2.426625722e+00 -2.426625722e+00 3.30 -2.374404442e+00 -2.374404442e+00 3.32 -2.322636462e+00 -2.322636462e+00 3.34 -2.271275923e+00 -2.271275923e+00 3.36 -2.220289086e+00 -2.220289086e+00 3.38 -2.169656152e+00 -2.169656152e+00 3.40 -2.119371615e+00 -2.119371615e+00 3.42 -2.069443409e+00 -2.069443409e+00 3.44 -2.019891066e+00 -2.019891066e+00 3.46 -1.970743255e+00 -1.970743255e+00 3.48 -1.922034962e+00 -1.922034962e+00 3.50 -1.873804623e+00 -1.873804623e+00 3.52 -1.826091450e+00 -1.826091450e+00 3.54 -1.778933135e+00 -1.778933135e+00 3.56 -1.732364058e+00 -1.732364058e+00 3.58 -1.686414055e+00 -1.686414055e+00 3.60 -1.641107779e+00 -1.641107779e+00 3.62 -1.596464624e+00 -1.596464624e+00 3.64 -1.552499176e+00 -1.552499176e+00 3.66 -1.509222132e+00 -1.509222132e+00 3.68 -1.466641603e+00 -1.466641603e+00 3.70 -1.424764684e+00 -1.424764684e+00 3.72 -1.383599154e+00 -1.383599154e+00 3.74 -1.343155105e+00 -1.343155105e+00 3.76 -1.303446282e+00 -1.303446282e+00 3.78 -1.264490877e+00 -1.264490877e+00 3.80 -1.226311557e+00 -1.226311557e+00 3.82 -1.188934576e+00 -1.188934576e+00 3.84 -1.152387954e+00 -1.152387954e+00 3.86 -1.116698872e+00 -1.116698872e+00 3.88 -1.081890601e+00 -1.081890601e+00 3.90 -1.047979414e+00 -1.047979414e+00 3.92 -1.014971920e+00 -1.014971920e+00 3.94 -9.828632417e-01 -9.828632417e-01 3.96 -9.516361974e-01 -9.516361974e-01 3.98 -9.212615931e-01 -9.212615931e-01 4.00 -8.916994261e-01 -8.916994261e-01 4.02 -8.629007764e-01 -8.629007764e-01 4.04 -8.348101004e-01 -8.348101004e-01 4.06 -8.073676771e-01 -8.073676771e-01 4.08 -7.805120312e-01 -7.805120312e-01 4.10 -7.541822221e-01 -7.541822221e-01 4.12 -7.283200264e-01 -7.283200264e-01 4.14 -7.028718741e-01 -7.028718741e-01 4.16 -6.777907609e-01 -6.777907609e-01 4.18 -6.530379875e-01 -6.530379875e-01 4.20 -6.285847637e-01 -6.285847637e-01 4.22 -6.044136021e-01 -6.044136021e-01 4.24 -5.805193979e-01 -5.805193979e-01 4.26 -5.569100713e-01 -5.569100713e-01 4.28 -5.336066461e-01 -5.336066461e-01 4.30 -5.106426682e-01 -5.106426682e-01 4.32 -4.880629148e-01 -4.880629148e-01 4.34 -4.659214151e-01 -4.659214151e-01 4.36 -4.442788712e-01 -4.442788712e-01 4.38 -4.231996261e-01 -4.231996261e-01 4.40 -4.027483648e-01 -4.027483648e-01 4.42 -3.829867514e-01 -3.829867514e-01 4.44 -3.639702073e-01 -3.639702073e-01 4.46 -3.457450205e-01 -3.457450205e-01 4.48 -3.283459617e-01 -3.283459617e-01 4.50 -3.117945512e-01 -3.117945512e-01 4.52 -2.960980798e-01 -2.960980798e-01 4.54 -2.812494333e-01 -2.812494333e-01 4.56 -2.672276991e-01 -2.672276991e-01 4.58 -2.539994662e-01 -2.539994662e-01 4.60 -2.415206764e-01 -2.415206764e-01 4.62 -2.297388456e-01 -2.297388456e-01 4.64 -2.185954519e-01 -2.185954519e-01 4.66 -2.080283298e-01 -2.080283298e-01 4.68 -1.979739464e-01 -1.979739464e-01 4.70 -1.883694657e-01 -1.883694657e-01 4.72 -1.791545269e-01 -1.791545269e-01 4.74 -1.702724935e-01 -1.702724935e-01 4.76 -1.616723117e-01 -1.616723117e-01 4.78 -1.533091758e-01 -1.533091758e-01 4.80 -1.451456517e-01 -1.451456517e-01 4.82 -1.371518826e-01 -1.371518826e-01 4.84 -1.293060245e-01 -1.293060245e-01 4.86 -1.215945504e-01 -1.215945504e-01 4.88 -1.140122577e-01 -1.140122577e-01 4.90 -1.065619944e-01 -1.065619944e-01 4.92 -9.925407407e-02 -9.925407407e-02 4.94 -9.210536415e-02 -9.210536415e-02 4.96 -8.513805951e-02 -8.513805951e-02 4.98 -7.837818204e-02 -7.837818204e-02 5.00 -7.185388258e-02 -7.185388258e-02 5.02 -6.559365099e-02 -6.559365099e-02 5.04 -5.962455996e-02 -5.962455996e-02 5.06 -5.397067116e-02 -5.397067116e-02 5.08 -4.865171832e-02 -4.865171832e-02 5.10 -4.368215217e-02 -4.368215217e-02 5.12 -3.907059142e-02 -3.907059142e-02 5.14 -3.481968099e-02 -3.481968099e-02 5.16 -3.092631887e-02 -3.092631887e-02 5.18 -2.738218364e-02 -2.738218364e-02 5.20 -2.417447738e-02 -2.417447738e-02 5.22 -2.128679484e-02 -2.128679484e-02 5.24 -1.870003397e-02 -1.870003397e-02 5.26 -1.639328450e-02 -1.639328450e-02 5.28 -1.434463919e-02 -1.434463919e-02 5.30 -1.253189049e-02 -1.253189049e-02 5.32 -1.093283217e-02 -1.093283217e-02 5.34 -9.526352042e-03 -9.526352042e-03 5.36 -8.292537518e-03 -8.292537518e-03 5.38 -7.212665122e-03 -7.212665122e-03 5.40 -6.269374748e-03 -6.269374748e-03 5.42 -5.446756215e-03 -5.446756215e-03 5.44 -4.730368784e-03 -4.730368784e-03 5.46 -4.107211606e-03 -4.107211606e-03 5.48 -3.565660077e-03 -3.565660077e-03 5.50 -3.095380125e-03 -3.095380125e-03 5.52 -2.687229784e-03 -2.687229784e-03 5.54 -2.333155067e-03 -2.333155067e-03 5.56 -2.026085245e-03 -2.026085245e-03 5.58 -1.759831068e-03 -1.759831068e-03 5.60 -1.528988276e-03 -1.528988276e-03 5.62 -1.328847795e-03 -1.328847795e-03 5.64 -1.155313374e-03 -1.155313374e-03 5.66 -1.004826895e-03 -1.004826895e-03 5.68 -8.743012509e-04 -8.743012509e-04 5.70 -7.610605006e-04 -7.610605006e-04 5.72 -6.627868090e-04 -6.627868090e-04 5.74 -5.774736610e-04 -5.774736610e-04 5.76 -5.033847712e-04 -5.033847712e-04 5.78 -4.390181236e-04 -4.390181236e-04 5.80 -3.830745912e-04 -3.830745912e-04 5.82 -3.344306188e-04 -3.344306188e-04 5.84 -2.921144887e-04 -2.921144887e-04 5.86 -2.552857342e-04 -2.552857342e-04 5.88 -2.232173061e-04 -2.232173061e-04 5.90 -1.952801421e-04 -1.952801421e-04 5.92 -1.709298250e-04 -1.709298250e-04 5.94 -1.496950565e-04 -1.496950565e-04 5.96 -1.311677036e-04 -1.311677036e-04 5.98 -1.149942060e-04 -1.149942060e-04 6.00 -1.008681617e-04 -1.008681617e-04