# 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 = Co2MoNi # 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 1.585605332e+02 1.585605332e+02 1.30 1.455099733e+02 1.455099733e+02 1.32 1.335082396e+02 1.335082396e+02 1.34 1.224630310e+02 1.224630310e+02 1.36 1.122895366e+02 1.122895366e+02 1.38 1.029111812e+02 1.029111812e+02 1.40 9.425970535e+01 9.425970535e+01 1.42 8.627464934e+01 8.627464934e+01 1.44 7.890216593e+01 7.890216593e+01 1.46 7.209366030e+01 7.209366030e+01 1.48 6.580497344e+01 6.580497344e+01 1.50 5.999609304e+01 5.999609304e+01 1.52 5.463089006e+01 5.463089006e+01 1.54 4.967669776e+01 4.967669776e+01 1.56 4.510382818e+01 4.510382818e+01 1.58 4.088505807e+01 4.088505807e+01 1.60 3.699513012e+01 3.699513012e+01 1.62 3.341037061e+01 3.341037061e+01 1.64 3.010843871e+01 3.010843871e+01 1.66 2.706872053e+01 2.706872053e+01 1.68 2.427351633e+01 2.427351633e+01 1.70 2.170449263e+01 2.170449263e+01 1.72 1.934500156e+01 1.934500156e+01 1.74 1.717794672e+01 1.717794672e+01 1.76 1.518708483e+01 1.518708483e+01 1.78 1.335723563e+01 1.335723563e+01 1.80 1.167455703e+01 1.167455703e+01 1.82 1.012678693e+01 1.012678693e+01 1.84 8.703302282e+00 8.703302282e+00 1.86 7.394962471e+00 7.394962471e+00 1.88 6.193798818e+00 6.193798818e+00 1.90 5.092648898e+00 5.092648898e+00 1.92 4.084833945e+00 4.084833945e+00 1.94 3.163951436e+00 3.163951436e+00 1.96 2.323804517e+00 2.323804517e+00 1.98 1.558433513e+00 1.558433513e+00 2.00 8.621850095e-01 8.621850095e-01 2.02 2.297600672e-01 2.297600672e-01 2.04 -3.437898210e-01 -3.437898210e-01 2.06 -8.631137930e-01 -8.631137930e-01 2.08 -1.332624705e+00 -1.332624705e+00 2.10 -1.756536272e+00 -1.756536272e+00 2.12 -2.138857374e+00 -2.138857374e+00 2.14 -2.483350881e+00 -2.483350881e+00 2.16 -2.793478209e+00 -2.793478209e+00 2.18 -3.072353446e+00 -3.072353446e+00 2.20 -3.322725438e+00 -3.322725438e+00 2.22 -3.546994861e+00 -3.546994861e+00 2.24 -3.747259955e+00 -3.747259955e+00 2.26 -3.925376081e+00 -3.925376081e+00 2.28 -4.083014615e+00 -4.083014615e+00 2.30 -4.221712392e+00 -4.221712392e+00 2.32 -4.342851239e+00 -4.342851239e+00 2.34 -4.447679158e+00 -4.447679158e+00 2.36 -4.537663480e+00 -4.537663480e+00 2.38 -4.614151138e+00 -4.614151138e+00 2.40 -4.678340495e+00 -4.678340495e+00 2.42 -4.731287277e+00 -4.731287277e+00 2.44 -4.773920300e+00 -4.773920300e+00 2.46 -4.807058927e+00 -4.807058927e+00 2.48 -4.831288691e+00 -4.831288691e+00 2.50 -4.847027196e+00 -4.847027196e+00 2.52 -4.854789707e+00 -4.854789707e+00 2.54 -4.854987284e+00 -4.854987284e+00 2.56 -4.848030100e+00 -4.848030100e+00 2.58 -4.834379158e+00 -4.834379158e+00 2.60 -4.814531462e+00 -4.814531462e+00 2.62 -4.788996451e+00 -4.788996451e+00 2.64 -4.758248452e+00 -4.758248452e+00 2.66 -4.722569682e+00 -4.722569682e+00 2.68 -4.682118330e+00 -4.682118330e+00 2.70 -4.636955334e+00 -4.636955334e+00 2.72 -4.587154230e+00 -4.587154230e+00 2.74 -4.532825987e+00 -4.532825987e+00 2.76 -4.474118476e+00 -4.474118476e+00 2.78 -4.411211065e+00 -4.411211065e+00 2.80 -4.344305774e+00 -4.344305774e+00 2.82 -4.273618279e+00 -4.273618279e+00 2.84 -4.199371976e+00 -4.199371976e+00 2.86 -4.121796789e+00 -4.121796789e+00 2.88 -4.041132575e+00 -4.041132575e+00 2.90 -3.957635561e+00 -3.957635561e+00 2.92 -3.871585658e+00 -3.871585658e+00 2.94 -3.783292504e+00 -3.783292504e+00 2.96 -3.693098454e+00 -3.693098454e+00 2.98 -3.601377153e+00 -3.601377153e+00 3.00 -3.508526814e+00 -3.508526814e+00 3.02 -3.414957907e+00 -3.414957907e+00 3.04 -3.321075930e+00 -3.321075930e+00 3.06 -3.227261129e+00 -3.227261129e+00 3.08 -3.133848333e+00 -3.133848333e+00 3.10 -3.041110605e+00 -3.041110605e+00 3.12 -2.949249877e+00 -2.949249877e+00 3.14 -2.858395990e+00 -2.858395990e+00 3.16 -2.768613580e+00 -2.768613580e+00 3.18 -2.679914619e+00 -2.679914619e+00 3.20 -2.592273948e+00 -2.592273948e+00 3.22 -2.505645408e+00 -2.505645408e+00 3.24 -2.419976935e+00 -2.419976935e+00 3.26 -2.335223724e+00 -2.335223724e+00 3.28 -2.251359087e+00 -2.251359087e+00 3.30 -2.168382895e+00 -2.168382895e+00 3.32 -2.086327546e+00 -2.086327546e+00 3.34 -2.005261399e+00 -2.005261399e+00 3.36 -1.925289558e+00 -1.925289558e+00 3.38 -1.846551898e+00 -1.846551898e+00 3.40 -1.769218335e+00 -1.769218335e+00 3.42 -1.693481513e+00 -1.693481513e+00 3.44 -1.619547343e+00 -1.619547343e+00 3.46 -1.547624090e+00 -1.547624090e+00 3.48 -1.477910933e+00 -1.477910933e+00 3.50 -1.410587032e+00 -1.410587032e+00 3.52 -1.345802096e+00 -1.345802096e+00 3.54 -1.283669254e+00 -1.283669254e+00 3.56 -1.224260750e+00 -1.224260750e+00 3.58 -1.167606591e+00 -1.167606591e+00 3.60 -1.113695957e+00 -1.113695957e+00 3.62 -1.062480932e+00 -1.062480932e+00 3.64 -1.013881926e+00 -1.013881926e+00 3.66 -9.677941432e-01 -9.677941432e-01 3.68 -9.240944863e-01 -9.240944863e-01 3.70 -8.826483865e-01 -8.826483865e-01 3.72 -8.433161853e-01 -8.433161853e-01 3.74 -8.059587990e-01 -8.059587990e-01 3.76 -7.704424901e-01 -7.704424901e-01 3.78 -7.366426246e-01 -7.366426246e-01 3.80 -7.044463284e-01 -7.044463284e-01 3.82 -6.737539751e-01 -6.737539751e-01 3.84 -6.444794788e-01 -6.444794788e-01 3.86 -6.165494261e-01 -6.165494261e-01 3.88 -5.899011862e-01 -5.899011862e-01 3.90 -5.644802556e-01 -5.644802556e-01 3.92 -5.402372056e-01 -5.402372056e-01 3.94 -5.171246575e-01 -5.171246575e-01 3.96 -4.950946941e-01 -4.950946941e-01 3.98 -4.740970123e-01 -4.740970123e-01 4.00 -4.540779674e-01 -4.540779674e-01 4.02 -4.349804909e-01 -4.349804909e-01 4.04 -4.167447318e-01 -4.167447318e-01 4.06 -3.993091985e-01 -3.993091985e-01 4.08 -3.826121674e-01 -3.826121674e-01 4.10 -3.665931617e-01 -3.665931617e-01 4.12 -3.511943633e-01 -3.511943633e-01 4.14 -3.363618739e-01 -3.363618739e-01 4.16 -3.220467872e-01 -3.220467872e-01 4.18 -3.082060478e-01 -3.082060478e-01 4.20 -2.948030747e-01 -2.948030747e-01 4.22 -2.818081175e-01 -2.818081175e-01 4.24 -2.691983081e-01 -2.691983081e-01 4.26 -2.569573741e-01 -2.569573741e-01 4.28 -2.450750133e-01 -2.450750133e-01 4.30 -2.335459712e-01 -2.335459712e-01 4.32 -2.223689185e-01 -2.223689185e-01 4.34 -2.115452692e-01 -2.115452692e-01 4.36 -2.010780862e-01 -2.010780862e-01 4.38 -1.909711945e-01 -1.909711945e-01 4.40 -1.812285556e-01 -1.812285556e-01 4.42 -1.718538777e-01 -1.718538777e-01 4.44 -1.628503730e-01 -1.628503730e-01 4.46 -1.542205445e-01 -1.542205445e-01 4.48 -1.459658977e-01 -1.459658977e-01 4.50 -1.380865253e-01 -1.380865253e-01 4.52 -1.305805737e-01 -1.305805737e-01 4.54 -1.234436635e-01 -1.234436635e-01 4.56 -1.166683648e-01 -1.166683648e-01 4.58 -1.102438296e-01 -1.102438296e-01 4.60 -1.041556653e-01 -1.041556653e-01 4.62 -9.838608108e-02 -9.838608108e-02 4.64 -9.291428911e-02 -9.291428911e-02 4.66 -8.771683646e-02 -8.771683646e-02 4.68 -8.276914711e-02 -8.276914711e-02 4.70 -7.804606931e-02 -7.804606931e-02 4.72 -7.352255246e-02 -7.352255246e-02 4.74 -6.917457817e-02 -6.917457817e-02 4.76 -6.498002284e-02 -6.498002284e-02 4.78 -6.091943211e-02 -6.091943211e-02 4.80 -5.697669153e-02 -5.697669153e-02 4.82 -5.313957566e-02 -5.313957566e-02 4.84 -4.940014839e-02 -4.940014839e-02 4.86 -4.575498239e-02 -4.575498239e-02 4.88 -4.220515953e-02 -4.220515953e-02 4.90 -3.875601666e-02 -3.875601666e-02 4.92 -3.541661241e-02 -3.541661241e-02 4.94 -3.219892359e-02 -3.219892359e-02 4.96 -2.911680970e-02 -2.911680970e-02 4.98 -2.618481481e-02 -2.618481481e-02 5.00 -2.341692464e-02 -2.341692464e-02 5.02 -2.082539811e-02 -2.082539811e-02 5.04 -1.841978478e-02 -1.841978478e-02 5.06 -1.620622390e-02 -1.620622390e-02 5.08 -1.418683373e-02 -1.418683373e-02 5.10 -1.236000269e-02 -1.236000269e-02 5.12 -1.072103179e-02 -1.072103179e-02 5.14 -9.262048843e-03 -9.262048843e-03 5.16 -7.972667753e-03 -7.972667753e-03 5.18 -6.840708110e-03 -6.840708110e-03 5.20 -5.852894288e-03 -5.852894288e-03 5.22 -4.995481300e-03 -4.995481300e-03 5.24 -4.254776293e-03 -4.254776293e-03 5.26 -3.617543590e-03 -3.617543590e-03 5.28 -3.071295643e-03 -3.071295643e-03 5.30 -2.604481629e-03 -2.604481629e-03 5.32 -2.206590428e-03 -2.206590428e-03 5.34 -1.868186208e-03 -1.868186208e-03 5.36 -1.580894079e-03 -1.580894079e-03 5.38 -1.337351133e-03 -1.337351133e-03 5.40 -1.131135498e-03 -1.131135498e-03 5.42 -9.566832907e-04 -9.566832907e-04 5.44 -8.092007708e-04 -8.092007708e-04 5.46 -6.845768766e-04 -6.845768766e-04 5.48 -5.792995750e-04 -5.792995750e-04 5.50 -4.903781160e-04 -4.903781160e-04 5.52 -4.152723050e-04 -4.152723050e-04 5.54 -3.518292034e-04 -3.518292034e-04 5.56 -2.982272023e-04 -2.982272023e-04 5.58 -2.529271098e-04 -2.529271098e-04 5.60 -2.146297235e-04 -2.146297235e-04 5.62 -1.822392703e-04 -1.822392703e-04 5.64 -1.548320714e-04 -1.548320714e-04 5.66 -1.316298018e-04 -1.316298018e-04 5.68 -1.119767526e-04 -1.119767526e-04 5.70 -9.532055117e-05 -9.532055117e-05 5.72 -8.119585218e-05 -8.119585218e-05 5.74 -6.921056605e-05 -6.921056605e-05 5.76 -5.903424779e-05 -5.903424779e-05 5.78 -5.038831796e-05 -5.038831796e-05 5.80 -4.303783389e-05 -4.303783389e-05 5.82 -3.678456947e-05 -3.678456947e-05 5.84 -3.146119802e-05 -3.146119802e-05 5.86 -2.692640360e-05 -2.692640360e-05 5.88 -2.306077291e-05 -2.306077291e-05 5.90 -1.976334324e-05 -1.976334324e-05 5.92 -1.694870126e-05 -1.694870126e-05 5.94 -1.454454432e-05 -1.454454432e-05 5.96 -1.248962983e-05 -1.248962983e-05 5.98 -1.073205054e-05 -1.073205054e-05 6.00 -9.227783207e-06 -9.227783207e-06