# 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 = Ag2TaTi # 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 3.215991775e+02 3.215991775e+02 1.30 2.981789220e+02 2.981789220e+02 1.32 2.765009427e+02 2.765009427e+02 1.34 2.564235898e+02 2.564235898e+02 1.36 2.378180147e+02 2.378180147e+02 1.38 2.205678201e+02 2.205678201e+02 1.40 2.045678445e+02 2.045678445e+02 1.42 1.897225292e+02 1.897225292e+02 1.44 1.759443348e+02 1.759443348e+02 1.46 1.631524437e+02 1.631524437e+02 1.48 1.512718378e+02 1.512718378e+02 1.50 1.402327784e+02 1.402327784e+02 1.52 1.299705767e+02 1.299705767e+02 1.54 1.204255042e+02 1.204255042e+02 1.56 1.115427914e+02 1.115427914e+02 1.58 1.032726287e+02 1.032726287e+02 1.60 9.556999420e+01 9.556999420e+01 1.62 8.839422256e+01 8.839422256e+01 1.64 8.170839352e+01 8.170839352e+01 1.66 7.547868232e+01 7.547868232e+01 1.68 6.967380713e+01 6.967380713e+01 1.70 6.426466648e+01 6.426466648e+01 1.72 5.922415697e+01 5.922415697e+01 1.74 5.452706958e+01 5.452706958e+01 1.76 5.015020470e+01 5.015020470e+01 1.78 4.607547669e+01 4.607547669e+01 1.80 4.228350105e+01 4.228350105e+01 1.82 3.875508529e+01 3.875508529e+01 1.84 3.547246494e+01 3.547246494e+01 1.86 3.242116362e+01 3.242116362e+01 1.88 2.958643374e+01 2.958643374e+01 1.90 2.695384253e+01 2.695384253e+01 1.92 2.450985961e+01 2.450985961e+01 1.94 2.224173048e+01 2.224173048e+01 1.96 2.013739129e+01 2.013739129e+01 1.98 1.818542169e+01 1.818542169e+01 2.00 1.637502346e+01 1.637502346e+01 2.02 1.469601851e+01 1.469601851e+01 2.04 1.313886982e+01 1.313886982e+01 2.06 1.169472222e+01 1.169472222e+01 2.08 1.035544348e+01 1.035544348e+01 2.10 9.113638179e+00 9.113638179e+00 2.12 7.962616487e+00 7.962616487e+00 2.14 6.896321155e+00 6.896321155e+00 2.16 5.909233341e+00 5.909233341e+00 2.18 4.996279614e+00 4.996279614e+00 2.20 4.152752432e+00 4.152752432e+00 2.22 3.374244472e+00 3.374244472e+00 2.24 2.656593467e+00 2.656593467e+00 2.26 1.995836094e+00 1.995836094e+00 2.28 1.388172903e+00 1.388172903e+00 2.30 8.299475429e-01 8.299475429e-01 2.32 3.176405909e-01 3.176405909e-01 2.34 -1.521221104e-01 -1.521221104e-01 2.36 -5.825507103e-01 -5.825507103e-01 2.38 -9.766670070e-01 -9.766670070e-01 2.40 -1.337281481e+00 -1.337281481e+00 2.42 -1.666953087e+00 -1.666953087e+00 2.44 -1.967920491e+00 -1.967920491e+00 2.46 -2.242456535e+00 -2.242456535e+00 2.48 -2.492632504e+00 -2.492632504e+00 2.50 -2.720301273e+00 -2.720301273e+00 2.52 -2.927135866e+00 -2.927135866e+00 2.54 -3.114664713e+00 -3.114664713e+00 2.56 -3.284281326e+00 -3.284281326e+00 2.58 -3.437084504e+00 -3.437084504e+00 2.60 -3.574037993e+00 -3.574037993e+00 2.62 -3.696116538e+00 -3.696116538e+00 2.64 -3.804285296e+00 -3.804285296e+00 2.66 -3.899483870e+00 -3.899483870e+00 2.68 -3.982643102e+00 -3.982643102e+00 2.70 -4.054534972e+00 -4.054534972e+00 2.72 -4.115852129e+00 -4.115852129e+00 2.74 -4.167232570e+00 -4.167232570e+00 2.76 -4.209264605e+00 -4.209264605e+00 2.78 -4.242494520e+00 -4.242494520e+00 2.80 -4.267434874e+00 -4.267434874e+00 2.82 -4.284570153e+00 -4.284570153e+00 2.84 -4.294307790e+00 -4.294307790e+00 2.86 -4.296984372e+00 -4.296984372e+00 2.88 -4.292945741e+00 -4.292945741e+00 2.90 -4.282549696e+00 -4.282549696e+00 2.92 -4.266162881e+00 -4.266162881e+00 2.94 -4.244157134e+00 -4.244157134e+00 2.96 -4.216905977e+00 -4.216905977e+00 2.98 -4.184781833e+00 -4.184781833e+00 3.00 -4.148153955e+00 -4.148153955e+00 3.02 -4.107386229e+00 -4.107386229e+00 3.04 -4.062833638e+00 -4.062833638e+00 3.06 -4.014837086e+00 -4.014837086e+00 3.08 -3.963716305e+00 -3.963716305e+00 3.10 -3.909809950e+00 -3.909809950e+00 3.12 -3.853525438e+00 -3.853525438e+00 3.14 -3.794948384e+00 -3.794948384e+00 3.16 -3.734138489e+00 -3.734138489e+00 3.18 -3.671170792e+00 -3.671170792e+00 3.20 -3.606139715e+00 -3.606139715e+00 3.22 -3.539163932e+00 -3.539163932e+00 3.24 -3.470390634e+00 -3.470390634e+00 3.26 -3.399997965e+00 -3.399997965e+00 3.28 -3.328196126e+00 -3.328196126e+00 3.30 -3.255231979e+00 -3.255231979e+00 3.32 -3.181375077e+00 -3.181375077e+00 3.34 -3.106903343e+00 -3.106903343e+00 3.36 -3.032092348e+00 -3.032092348e+00 3.38 -2.957204092e+00 -2.957204092e+00 3.40 -2.882476731e+00 -2.882476731e+00 3.42 -2.808116581e+00 -2.808116581e+00 3.44 -2.734293009e+00 -2.734293009e+00 3.46 -2.661136820e+00 -2.661136820e+00 3.48 -2.588741618e+00 -2.588741618e+00 3.50 -2.517167492e+00 -2.517167492e+00 3.52 -2.446446039e+00 -2.446446039e+00 3.54 -2.376585718e+00 -2.376585718e+00 3.56 -2.307576813e+00 -2.307576813e+00 3.58 -2.239395715e+00 -2.239395715e+00 3.60 -2.172008690e+00 -2.172008690e+00 3.62 -2.105375601e+00 -2.105375601e+00 3.64 -2.039454121e+00 -2.039454121e+00 3.66 -1.974204725e+00 -1.974204725e+00 3.68 -1.909596397e+00 -1.909596397e+00 3.70 -1.845612591e+00 -1.845612591e+00 3.72 -1.782256793e+00 -1.782256793e+00 3.74 -1.719556944e+00 -1.719556944e+00 3.76 -1.657568108e+00 -1.657568108e+00 3.78 -1.596372954e+00 -1.596372954e+00 3.80 -1.536079867e+00 -1.536079867e+00 3.82 -1.476818753e+00 -1.476818753e+00 3.84 -1.418734879e+00 -1.418734879e+00 3.86 -1.361981256e+00 -1.361981256e+00 3.88 -1.306710295e+00 -1.306710295e+00 3.90 -1.253065493e+00 -1.253065493e+00 3.92 -1.201173884e+00 -1.201173884e+00 3.94 -1.151140047e+00 -1.151140047e+00 3.96 -1.103041648e+00 -1.103041648e+00 3.98 -1.056927346e+00 -1.056927346e+00 4.00 -1.012816503e+00 -1.012816503e+00 4.02 -9.707006815e-01 -9.707006815e-01 4.04 -9.305465164e-01 -9.305465164e-01 4.06 -8.922995255e-01 -8.922995255e-01 4.08 -8.558884423e-01 -8.558884423e-01 4.10 -8.212296254e-01 -8.212296254e-01 4.12 -7.882316551e-01 -7.882316551e-01 4.14 -7.567988626e-01 -7.567988626e-01 4.16 -7.268350971e-01 -7.268350971e-01 4.18 -6.982465429e-01 -6.982465429e-01 4.20 -6.709440235e-01 -6.709440235e-01 4.22 -6.448447125e-01 -6.448447125e-01 4.24 -6.198732636e-01 -6.198732636e-01 4.26 -5.959623824e-01 -5.959623824e-01 4.28 -5.730528704e-01 -5.730528704e-01 4.30 -5.510931866e-01 -5.510931866e-01 4.32 -5.300385933e-01 -5.300385933e-01 4.34 -5.098499813e-01 -5.098499813e-01 4.36 -4.904924937e-01 -4.904924937e-01 4.38 -4.719340868e-01 -4.719340868e-01 4.40 -4.541441683e-01 -4.541441683e-01 4.42 -4.370924352e-01 -4.370924352e-01 4.44 -4.207479993e-01 -4.207479993e-01 4.46 -4.050788420e-01 -4.050788420e-01 4.48 -3.900515933e-01 -3.900515933e-01 4.50 -3.756315905e-01 -3.756315905e-01 4.52 -3.617831471e-01 -3.617831471e-01 4.54 -3.484699527e-01 -3.484699527e-01 4.56 -3.356555311e-01 -3.356555311e-01 4.58 -3.233036979e-01 -3.233036979e-01 4.60 -3.113789778e-01 -3.113789778e-01 4.62 -2.998469622e-01 -2.998469622e-01 4.64 -2.886746042e-01 -2.886746042e-01 4.66 -2.778304589e-01 -2.778304589e-01 4.68 -2.672848870e-01 -2.672848870e-01 4.70 -2.570102397e-01 -2.570102397e-01 4.72 -2.469810461e-01 -2.469810461e-01 4.74 -2.371742191e-01 -2.371742191e-01 4.76 -2.275692920e-01 -2.275692920e-01 4.78 -2.181486905e-01 -2.181486905e-01 4.80 -2.088979962e-01 -2.088979962e-01 4.82 -1.998064486e-01 -1.998064486e-01 4.84 -1.908669932e-01 -1.908669932e-01 4.86 -1.820767647e-01 -1.820767647e-01 4.88 -1.734372514e-01 -1.734372514e-01 4.90 -1.649543875e-01 -1.649543875e-01 4.92 -1.566384746e-01 -1.566384746e-01 4.94 -1.485038887e-01 -1.485038887e-01 4.96 -1.405685450e-01 -1.405685450e-01 4.98 -1.328531104e-01 -1.328531104e-01 5.00 -1.253799862e-01 -1.253799862e-01 5.02 -1.181721136e-01 -1.181721136e-01 5.04 -1.112516811e-01 -1.112516811e-01 5.06 -1.046388385e-01 -1.046388385e-01 5.08 -9.835052719e-02 -9.835052719e-02 5.10 -9.239952490e-02 -9.239952490e-02 5.12 -8.679378199e-02 -8.679378199e-02 5.14 -8.153610229e-02 -8.153610229e-02 5.16 -7.662415682e-02 -7.662415682e-02 5.18 -7.205080614e-02 -7.205080614e-02 5.20 -6.780456280e-02 -6.780456280e-02 5.22 -6.387035098e-02 -6.387035098e-02 5.24 -6.023064408e-02 -6.023064408e-02 5.26 -5.686581165e-02 -5.686581165e-02 5.28 -5.375508144e-02 -5.375508144e-02 5.30 -5.087741368e-02 -5.087741368e-02 5.32 -4.821176559e-02 -4.821176559e-02 5.34 -4.573757540e-02 -4.573757540e-02 5.36 -4.343512327e-02 -4.343512327e-02 5.38 -4.128577995e-02 -4.128577995e-02 5.40 -3.927216180e-02 -3.927216180e-02 5.42 -3.737821215e-02 -3.737821215e-02 5.44 -3.558922792e-02 -3.558922792e-02 5.46 -3.389184867e-02 -3.389184867e-02 5.48 -3.227402261e-02 -3.227402261e-02 5.50 -3.072496149e-02 -3.072496149e-02 5.52 -2.923509331e-02 -2.923509331e-02 5.54 -2.779601985e-02 -2.779601985e-02 5.56 -2.640048192e-02 -2.640048192e-02 5.58 -2.504233564e-02 -2.504233564e-02 5.60 -2.371653845e-02 -2.371653845e-02 5.62 -2.241914231e-02 -2.241914231e-02 5.64 -2.114728971e-02 -2.114728971e-02 5.66 -1.989920605e-02 -1.989920605e-02 5.68 -1.867418110e-02 -1.867418110e-02 5.70 -1.747253138e-02 -1.747253138e-02 5.72 -1.629553582e-02 -1.629553582e-02 5.74 -1.514533876e-02 -1.514533876e-02 5.76 -1.402481357e-02 -1.402481357e-02 5.78 -1.293722802e-02 -1.293722802e-02 5.80 -1.188635143e-02 -1.188635143e-02 5.82 -1.087621365e-02 -1.087621365e-02 5.84 -9.910748644e-03 -9.910748644e-03 5.86 -8.993571900e-03 -8.993571900e-03 5.88 -8.127782217e-03 -8.127782217e-03 5.90 -7.315801930e-03 -7.315801930e-03 5.92 -6.559265778e-03 -6.559265778e-03 5.94 -5.858963468e-03 -5.858963468e-03 5.96 -5.214835487e-03 -5.214835487e-03 5.98 -4.626016745e-03 -4.626016745e-03 6.00 -4.090918888e-03 -4.090918888e-03