# 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 = AgMgTa2 # 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 4.259442715e+02 4.259442715e+02 1.30 3.953203492e+02 3.953203492e+02 1.32 3.669543130e+02 3.669543130e+02 1.34 3.406621851e+02 3.406621851e+02 1.36 3.162783982e+02 3.162783982e+02 1.38 2.936541040e+02 2.936541040e+02 1.40 2.726549017e+02 2.726549017e+02 1.42 2.531586465e+02 2.531586465e+02 1.44 2.350534117e+02 2.350534117e+02 1.46 2.182356232e+02 2.182356232e+02 1.48 2.026085662e+02 2.026085662e+02 1.50 1.880814353e+02 1.880814353e+02 1.52 1.745689770e+02 1.745689770e+02 1.54 1.619917252e+02 1.619917252e+02 1.56 1.502766734e+02 1.502766734e+02 1.58 1.393579188e+02 1.393579188e+02 1.60 1.291767564e+02 1.291767564e+02 1.62 1.196810424e+02 1.196810424e+02 1.64 1.108240898e+02 1.108240898e+02 1.66 1.025635004e+02 1.025635004e+02 1.68 9.486021434e+01 9.486021434e+01 1.70 8.767785853e+01 8.767785853e+01 1.72 8.098233613e+01 8.098233613e+01 1.74 7.474157662e+01 7.474157662e+01 1.76 6.892538700e+01 6.892538700e+01 1.78 6.350537590e+01 6.350537590e+01 1.80 5.845563737e+01 5.845563737e+01 1.82 5.375887313e+01 5.375887313e+01 1.84 4.939340871e+01 4.939340871e+01 1.86 4.533707660e+01 4.533707660e+01 1.88 4.156924023e+01 4.156924023e+01 1.90 3.807138092e+01 3.807138092e+01 1.92 3.482574812e+01 3.482574812e+01 1.94 3.181495284e+01 3.181495284e+01 1.96 2.902234909e+01 2.902234909e+01 1.98 2.643196711e+01 2.643196711e+01 2.00 2.402855535e+01 2.402855535e+01 2.02 2.179770995e+01 2.179770995e+01 2.04 1.972605394e+01 1.972605394e+01 2.06 1.780140297e+01 1.780140297e+01 2.08 1.601285201e+01 1.601285201e+01 2.10 1.435074912e+01 1.435074912e+01 2.12 1.280656768e+01 1.280656768e+01 2.14 1.137272141e+01 1.137272141e+01 2.16 1.004237144e+01 1.004237144e+01 2.18 8.809256864e+00 8.809256864e+00 2.20 7.667561658e+00 7.667561658e+00 2.22 6.611812231e+00 6.611812231e+00 2.24 5.636798651e+00 5.636798651e+00 2.26 4.737511067e+00 4.737511067e+00 2.28 3.909087637e+00 3.909087637e+00 2.30 3.146777556e+00 3.146777556e+00 2.32 2.445921794e+00 2.445921794e+00 2.34 1.801961940e+00 1.801961940e+00 2.36 1.210475011e+00 1.210475011e+00 2.38 6.672311999e-01 6.672311999e-01 2.40 1.682599105e-01 1.682599105e-01 2.42 -2.900930484e-01 -2.900930484e-01 2.44 -7.111300122e-01 -7.111300122e-01 2.46 -1.097791034e+00 -1.097791034e+00 2.48 -1.452465944e+00 -1.452465944e+00 2.50 -1.777576388e+00 -1.777576388e+00 2.52 -2.075438577e+00 -2.075438577e+00 2.54 -2.348098456e+00 -2.348098456e+00 2.56 -2.597390293e+00 -2.597390293e+00 2.58 -2.824983418e+00 -2.824983418e+00 2.60 -3.032416014e+00 -3.032416014e+00 2.62 -3.221060683e+00 -3.221060683e+00 2.64 -3.391836563e+00 -3.391836563e+00 2.66 -3.545528193e+00 -3.545528193e+00 2.68 -3.682949566e+00 -3.682949566e+00 2.70 -3.804915546e+00 -3.804915546e+00 2.72 -3.912221321e+00 -3.912221321e+00 2.74 -4.005629678e+00 -4.005629678e+00 2.76 -4.085864490e+00 -4.085864490e+00 2.78 -4.153608507e+00 -4.153608507e+00 2.80 -4.209504649e+00 -4.209504649e+00 2.82 -4.254157890e+00 -4.254157890e+00 2.84 -4.288139679e+00 -4.288139679e+00 2.86 -4.311992252e+00 -4.311992252e+00 2.88 -4.326233208e+00 -4.326233208e+00 2.90 -4.331359654e+00 -4.331359654e+00 2.92 -4.327851460e+00 -4.327851460e+00 2.94 -4.316173308e+00 -4.316173308e+00 2.96 -4.296775429e+00 -4.296775429e+00 2.98 -4.270093154e+00 -4.270093154e+00 3.00 -4.236545608e+00 -4.236545608e+00 3.02 -4.196534027e+00 -4.196534027e+00 3.04 -4.150440131e+00 -4.150440131e+00 3.06 -4.098625864e+00 -4.098625864e+00 3.08 -4.041433388e+00 -4.041433388e+00 3.10 -3.979188408e+00 -3.979188408e+00 3.12 -3.912205234e+00 -3.912205234e+00 3.14 -3.840796122e+00 -3.840796122e+00 3.16 -3.765280682e+00 -3.765280682e+00 3.18 -3.686040258e+00 -3.686040258e+00 3.20 -3.603496021e+00 -3.603496021e+00 3.22 -3.517994868e+00 -3.517994868e+00 3.24 -3.429949347e+00 -3.429949347e+00 3.26 -3.339842348e+00 -3.339842348e+00 3.28 -3.248219995e+00 -3.248219995e+00 3.30 -3.155676737e+00 -3.155676737e+00 3.32 -3.062833172e+00 -3.062833172e+00 3.34 -2.970308421e+00 -2.970308421e+00 3.36 -2.878691341e+00 -2.878691341e+00 3.38 -2.788515954e+00 -2.788515954e+00 3.40 -2.700232234e+00 -2.700232234e+00 3.42 -2.614187358e+00 -2.614187358e+00 3.44 -2.530617107e+00 -2.530617107e+00 3.46 -2.449646149e+00 -2.449646149e+00 3.48 -2.371295541e+00 -2.371295541e+00 3.50 -2.295495878e+00 -2.295495878e+00 3.52 -2.222103976e+00 -2.222103976e+00 3.54 -2.150921147e+00 -2.150921147e+00 3.56 -2.081711499e+00 -2.081711499e+00 3.58 -2.014228256e+00 -2.014228256e+00 3.60 -1.948228840e+00 -1.948228840e+00 3.62 -1.883427682e+00 -1.883427682e+00 3.64 -1.819558668e+00 -1.819558668e+00 3.66 -1.756389697e+00 -1.756389697e+00 3.68 -1.693731418e+00 -1.693731418e+00 3.70 -1.631428054e+00 -1.631428054e+00 3.72 -1.569272366e+00 -1.569272366e+00 3.74 -1.507083165e+00 -1.507083165e+00 3.76 -1.444759166e+00 -1.444759166e+00 3.78 -1.382283345e+00 -1.382283345e+00 3.80 -1.319723917e+00 -1.319723917e+00 3.82 -1.257231001e+00 -1.257231001e+00 3.84 -1.195028349e+00 -1.195028349e+00 3.86 -1.133400089e+00 -1.133400089e+00 3.88 -1.072673155e+00 -1.072673155e+00 3.90 -1.013196738e+00 -1.013196738e+00 3.92 -9.553205172e-01 -9.553205172e-01 3.94 -8.993742996e-01 -8.993742996e-01 3.96 -8.456494647e-01 -8.456494647e-01 3.98 -7.943857530e-01 -7.943857530e-01 4.00 -7.457625714e-01 -7.457625714e-01 4.02 -6.998955989e-01 -6.998955989e-01 4.04 -6.568380784e-01 -6.568380784e-01 4.06 -6.165858734e-01 -6.165858734e-01 4.08 -5.790851628e-01 -5.790851628e-01 4.10 -5.442412569e-01 -5.442412569e-01 4.12 -5.119298925e-01 -5.119298925e-01 4.14 -4.820040907e-01 -4.820040907e-01 4.16 -4.543044938e-01 -4.543044938e-01 4.18 -4.286662429e-01 -4.286662429e-01 4.20 -4.049249982e-01 -4.049249982e-01 4.22 -3.829216033e-01 -3.829216033e-01 4.24 -3.625054651e-01 -3.625054651e-01 4.26 -3.435367708e-01 -3.435367708e-01 4.28 -3.258876913e-01 -3.258876913e-01 4.30 -3.094427327e-01 -3.094427327e-01 4.32 -2.940984033e-01 -2.940984033e-01 4.34 -2.797623668e-01 -2.797623668e-01 4.36 -2.663522519e-01 -2.663522519e-01 4.38 -2.537942832e-01 -2.537942832e-01 4.40 -2.420218832e-01 -2.420218832e-01 4.42 -2.309743708e-01 -2.309743708e-01 4.44 -2.205958436e-01 -2.205958436e-01 4.46 -2.108343019e-01 -2.108343019e-01 4.48 -2.016409937e-01 -2.016409937e-01 4.50 -1.929700009e-01 -1.929700009e-01 4.52 -1.847780154e-01 -1.847780154e-01 4.54 -1.770241948e-01 -1.770241948e-01 4.56 -1.696692432e-01 -1.696692432e-01 4.58 -1.626776350e-01 -1.626776350e-01 4.60 -1.560165971e-01 -1.560165971e-01 4.62 -1.496554446e-01 -1.496554446e-01 4.64 -1.435657135e-01 -1.435657135e-01 4.66 -1.377212134e-01 -1.377212134e-01 4.68 -1.320980280e-01 -1.320980280e-01 4.70 -1.266744873e-01 -1.266744873e-01 4.72 -1.214311298e-01 -1.214311298e-01 4.74 -1.163506704e-01 -1.163506704e-01 4.76 -1.114179813e-01 -1.114179813e-01 4.78 -1.066200911e-01 -1.066200911e-01 4.80 -1.019459936e-01 -1.019459936e-01 4.82 -9.738753640e-02 -9.738753640e-02 4.84 -9.293809045e-02 -9.293809045e-02 4.86 -8.859350863e-02 -8.859350863e-02 4.88 -8.435182635e-02 -8.435182635e-02 4.90 -8.021325506e-02 -8.021325506e-02 4.92 -7.618001834e-02 -7.618001834e-02 4.94 -7.225612186e-02 -7.225612186e-02 4.96 -6.844704923e-02 -6.844704923e-02 4.98 -6.475937551e-02 -6.475937551e-02 5.00 -6.120031247e-02 -6.120031247e-02 5.02 -5.777721074e-02 -5.777721074e-02 5.04 -5.449705267e-02 -5.449705267e-02 5.06 -5.136596830e-02 -5.136596830e-02 5.08 -4.838881888e-02 -4.838881888e-02 5.10 -4.556887524e-02 -4.556887524e-02 5.12 -4.290761056e-02 -4.290761056e-02 5.14 -4.040461707e-02 -4.040461707e-02 5.16 -3.805764196e-02 -3.805764196e-02 5.18 -3.586272779e-02 -3.586272779e-02 5.20 -3.381443563e-02 -3.381443563e-02 5.22 -3.190611768e-02 -3.190611768e-02 5.24 -3.013021894e-02 -3.013021894e-02 5.26 -2.847858152e-02 -2.847858152e-02 5.28 -2.694273193e-02 -2.694273193e-02 5.30 -2.551413693e-02 -2.551413693e-02 5.32 -2.418441965e-02 -2.418441965e-02 5.34 -2.294553170e-02 -2.294553170e-02 5.36 -2.178988125e-02 -2.178988125e-02 5.38 -2.071041912e-02 -2.071041912e-02 5.40 -1.970068710e-02 -1.970068710e-02 5.42 -1.875480843e-02 -1.875480843e-02 5.44 -1.786747795e-02 -1.786747795e-02 5.46 -1.703401996e-02 -1.703401996e-02 5.48 -1.625026780e-02 -1.625026780e-02 5.50 -1.551250305e-02 -1.551250305e-02 5.52 -1.481739324e-02 -1.481739324e-02 5.54 -1.416192977e-02 -1.416192977e-02 5.56 -1.354337014e-02 -1.354337014e-02 5.58 -1.295918758e-02 -1.295918758e-02 5.60 -1.240702975e-02 -1.240702975e-02 5.62 -1.188468730e-02 -1.188468730e-02 5.64 -1.139007155e-02 -1.139007155e-02 5.66 -1.092120031e-02 -1.092120031e-02 5.68 -1.047618977e-02 -1.047618977e-02 5.70 -1.005325083e-02 -1.005325083e-02 5.72 -9.650687984e-03 -9.650687984e-03 5.74 -9.266899286e-03 -9.266899286e-03 5.76 -8.900376416e-03 -8.900376416e-03 5.78 -8.549704070e-03 -8.549704070e-03 5.80 -8.213558416e-03 -8.213558416e-03 5.82 -7.890704543e-03 -7.890704543e-03 5.84 -7.579993063e-03 -7.579993063e-03 5.86 -7.280356131e-03 -7.280356131e-03 5.88 -6.990803207e-03 -6.990803207e-03 5.90 -6.710416900e-03 -6.710416900e-03 5.92 -6.438349205e-03 -6.438349205e-03 5.94 -6.173818417e-03 -6.173818417e-03 5.96 -5.916106945e-03 -5.916106945e-03 5.98 -5.664560205e-03 -5.664560205e-03 6.00 -5.418586685e-03 -5.418586685e-03