# 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 = Cu2TiZr # 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 1.918429231e+02 1.918429231e+02 1.30 1.771961828e+02 1.771961828e+02 1.32 1.636571658e+02 1.636571658e+02 1.34 1.511376821e+02 1.511376821e+02 1.36 1.395569573e+02 1.395569573e+02 1.38 1.288411232e+02 1.288411232e+02 1.40 1.189223693e+02 1.189223693e+02 1.42 1.097380356e+02 1.097380356e+02 1.44 1.012300483e+02 1.012300483e+02 1.46 9.334489538e+01 9.334489538e+01 1.48 8.603367501e+01 8.603367501e+01 1.50 7.925171655e+01 7.925171655e+01 1.52 7.295797451e+01 7.295797451e+01 1.54 6.711453851e+01 6.711453851e+01 1.56 6.168645927e+01 6.168645927e+01 1.58 5.664192330e+01 5.664192330e+01 1.60 5.195247990e+01 5.195247990e+01 1.62 4.759303374e+01 4.759303374e+01 1.64 4.354147428e+01 4.354147428e+01 1.66 3.977801795e+01 3.977801795e+01 1.68 3.628446576e+01 3.628446576e+01 1.70 3.304367737e+01 3.304367737e+01 1.72 3.003926121e+01 3.003926121e+01 1.74 2.725548208e+01 2.725548208e+01 1.76 2.467727785e+01 2.467727785e+01 1.78 2.229070528e+01 2.229070528e+01 1.80 2.008214920e+01 2.008214920e+01 1.82 1.803855065e+01 1.803855065e+01 1.84 1.614737740e+01 1.614737740e+01 1.86 1.439677232e+01 1.439677232e+01 1.88 1.277577797e+01 1.277577797e+01 1.90 1.127443898e+01 1.127443898e+01 1.92 9.883750715e+00 9.883750715e+00 1.94 8.595607685e+00 8.595607685e+00 1.96 7.402699729e+00 7.402699729e+00 1.98 6.298456209e+00 6.298456209e+00 2.00 5.276984333e+00 5.276984333e+00 2.02 4.332958203e+00 4.332958203e+00 2.04 3.461473923e+00 3.461473923e+00 2.06 2.657914324e+00 2.657914324e+00 2.08 1.917858357e+00 1.917858357e+00 2.10 1.237053197e+00 1.237053197e+00 2.12 6.114376076e-01 6.114376076e-01 2.14 3.717561562e-02 3.717561562e-02 2.16 -4.893074199e-01 -4.893074199e-01 2.18 -9.713289196e-01 -9.713289196e-01 2.20 -1.411981467e+00 -1.411981467e+00 2.22 -1.814195919e+00 -1.814195919e+00 2.24 -2.180787424e+00 -2.180787424e+00 2.26 -2.514471098e+00 -2.514471098e+00 2.28 -2.817858740e+00 -2.817858740e+00 2.30 -3.093416053e+00 -3.093416053e+00 2.32 -3.343457293e+00 -3.343457293e+00 2.34 -3.570091044e+00 -3.570091044e+00 2.36 -3.775215078e+00 -3.775215078e+00 2.38 -3.960502688e+00 -3.960502688e+00 2.40 -4.127416250e+00 -4.127416250e+00 2.42 -4.277247558e+00 -4.277247558e+00 2.44 -4.411161980e+00 -4.411161980e+00 2.46 -4.530246804e+00 -4.530246804e+00 2.48 -4.635538772e+00 -4.635538772e+00 2.50 -4.728074125e+00 -4.728074125e+00 2.52 -4.808816415e+00 -4.808816415e+00 2.54 -4.878578868e+00 -4.878578868e+00 2.56 -4.938119807e+00 -4.938119807e+00 2.58 -4.988133991e+00 -4.988133991e+00 2.60 -5.029255225e+00 -5.029255225e+00 2.62 -5.062068002e+00 -5.062068002e+00 2.64 -5.087136830e+00 -5.087136830e+00 2.66 -5.104961750e+00 -5.104961750e+00 2.68 -5.115948579e+00 -5.115948579e+00 2.70 -5.120544700e+00 -5.120544700e+00 2.72 -5.119159530e+00 -5.119159530e+00 2.74 -5.112227703e+00 -5.112227703e+00 2.76 -5.100189233e+00 -5.100189233e+00 2.78 -5.083463298e+00 -5.083463298e+00 2.80 -5.062438589e+00 -5.062438589e+00 2.82 -5.037453676e+00 -5.037453676e+00 2.84 -5.008808607e+00 -5.008808607e+00 2.86 -4.976745201e+00 -4.976745201e+00 2.88 -4.941422131e+00 -4.941422131e+00 2.90 -4.903000456e+00 -4.903000456e+00 2.92 -4.861662777e+00 -4.861662777e+00 2.94 -4.817808992e+00 -4.817808992e+00 2.96 -4.771810359e+00 -4.771810359e+00 2.98 -4.723609572e+00 -4.723609572e+00 3.00 -4.673207356e+00 -4.673207356e+00 3.02 -4.620655802e+00 -4.620655802e+00 3.04 -4.566042231e+00 -4.566042231e+00 3.06 -4.509485023e+00 -4.509485023e+00 3.08 -4.451106870e+00 -4.451106870e+00 3.10 -4.391034758e+00 -4.391034758e+00 3.12 -4.329388920e+00 -4.329388920e+00 3.14 -4.266308661e+00 -4.266308661e+00 3.16 -4.201926703e+00 -4.201926703e+00 3.18 -4.136358840e+00 -4.136358840e+00 3.20 -4.069703308e+00 -4.069703308e+00 3.22 -4.002044433e+00 -4.002044433e+00 3.24 -3.933457224e+00 -3.933457224e+00 3.26 -3.864012730e+00 -3.864012730e+00 3.28 -3.793783467e+00 -3.793783467e+00 3.30 -3.722847848e+00 -3.722847848e+00 3.32 -3.651292583e+00 -3.651292583e+00 3.34 -3.579212614e+00 -3.579212614e+00 3.36 -3.506709049e+00 -3.506709049e+00 3.38 -3.433886190e+00 -3.433886190e+00 3.40 -3.360847844e+00 -3.360847844e+00 3.42 -3.287700319e+00 -3.287700319e+00 3.44 -3.214545076e+00 -3.214545076e+00 3.46 -3.141484453e+00 -3.141484453e+00 3.48 -3.068621133e+00 -3.068621133e+00 3.50 -2.996058519e+00 -2.996058519e+00 3.52 -2.923900214e+00 -2.923900214e+00 3.54 -2.852248407e+00 -2.852248407e+00 3.56 -2.781201264e+00 -2.781201264e+00 3.58 -2.710849674e+00 -2.710849674e+00 3.60 -2.641273943e+00 -2.641273943e+00 3.62 -2.572541145e+00 -2.572541145e+00 3.64 -2.504703741e+00 -2.504703741e+00 3.66 -2.437799885e+00 -2.437799885e+00 3.68 -2.371855432e+00 -2.371855432e+00 3.70 -2.306887398e+00 -2.306887398e+00 3.72 -2.242908364e+00 -2.242908364e+00 3.74 -2.179931248e+00 -2.179931248e+00 3.76 -2.117973833e+00 -2.117973833e+00 3.78 -2.057062494e+00 -2.057062494e+00 3.80 -1.997234610e+00 -1.997234610e+00 3.82 -1.938539225e+00 -1.938539225e+00 3.84 -1.881035729e+00 -1.881035729e+00 3.86 -1.824790507e+00 -1.824790507e+00 3.88 -1.769871906e+00 -1.769871906e+00 3.90 -1.716344153e+00 -1.716344153e+00 3.92 -1.664259542e+00 -1.664259542e+00 3.94 -1.613659817e+00 -1.613659817e+00 3.96 -1.564561825e+00 -1.564561825e+00 3.98 -1.516963465e+00 -1.516963465e+00 4.00 -1.470842243e+00 -1.470842243e+00 4.02 -1.426157579e+00 -1.426157579e+00 4.04 -1.382854275e+00 -1.382854275e+00 4.06 -1.340866461e+00 -1.340866461e+00 4.08 -1.300121486e+00 -1.300121486e+00 4.10 -1.260539608e+00 -1.260539608e+00 4.12 -1.222052618e+00 -1.222052618e+00 4.14 -1.184581147e+00 -1.184581147e+00 4.16 -1.148053868e+00 -1.148053868e+00 4.18 -1.112404080e+00 -1.112404080e+00 4.20 -1.077570700e+00 -1.077570700e+00 4.22 -1.043499116e+00 -1.043499116e+00 4.24 -1.010142006e+00 -1.010142006e+00 4.26 -9.774601661e-01 -9.774601661e-01 4.28 -9.454233527e-01 -9.454233527e-01 4.30 -9.140110761e-01 -9.140110761e-01 4.32 -8.832132568e-01 -8.832132568e-01 4.34 -8.530306038e-01 -8.530306038e-01 4.36 -8.234745638e-01 -8.234745638e-01 4.38 -7.945666990e-01 -7.945666990e-01 4.40 -7.663373927e-01 -7.663373927e-01 4.42 -7.388238571e-01 -7.388238571e-01 4.44 -7.120675132e-01 -7.120675132e-01 4.46 -6.861109221e-01 -6.861109221e-01 4.48 -6.609945300e-01 -6.609945300e-01 4.50 -6.367535444e-01 -6.367535444e-01 4.52 -6.134152545e-01 -6.134152545e-01 4.54 -5.909970500e-01 -5.909970500e-01 4.56 -5.695052939e-01 -5.695052939e-01 4.58 -5.489350837e-01 -5.489350837e-01 4.60 -5.292708218e-01 -5.292708218e-01 4.62 -5.104874302e-01 -5.104874302e-01 4.64 -4.925519981e-01 -4.925519981e-01 4.66 -4.754256454e-01 -4.754256454e-01 4.68 -4.590654076e-01 -4.590654076e-01 4.70 -4.434259972e-01 -4.434259972e-01 4.72 -4.284613431e-01 -4.284613431e-01 4.74 -4.141258625e-01 -4.141258625e-01 4.76 -4.003754559e-01 -4.003754559e-01 4.78 -3.871682458e-01 -3.871682458e-01 4.80 -3.744619018e-01 -3.744619018e-01 4.82 -3.622272880e-01 -3.622272880e-01 4.84 -3.504277893e-01 -3.504277893e-01 4.86 -3.390340031e-01 -3.390340031e-01 4.88 -3.280199042e-01 -3.280199042e-01 4.90 -3.173627917e-01 -3.173627917e-01 4.92 -3.070431752e-01 -3.070431752e-01 4.94 -2.970445989e-01 -2.970445989e-01 4.96 -2.873533955e-01 -2.873533955e-01 4.98 -2.779583660e-01 -2.779583660e-01 5.00 -2.688503851e-01 -2.688503851e-01 5.02 -2.600219404e-01 -2.600219404e-01 5.04 -2.514666265e-01 -2.514666265e-01 5.06 -2.431786246e-01 -2.431786246e-01 5.08 -2.351521997e-01 -2.351521997e-01 5.10 -2.273811134e-01 -2.273811134e-01 5.12 -2.198586545e-01 -2.198586545e-01 5.14 -2.125773030e-01 -2.125773030e-01 5.16 -2.055285382e-01 -2.055285382e-01 5.18 -1.987028929e-01 -1.987028929e-01 5.20 -1.920901142e-01 -1.920901142e-01 5.22 -1.856794030e-01 -1.856794030e-01 5.24 -1.794597050e-01 -1.794597050e-01 5.26 -1.734200218e-01 -1.734200218e-01 5.28 -1.675497217e-01 -1.675497217e-01 5.30 -1.618388283e-01 -1.618388283e-01 5.32 -1.562782742e-01 -1.562782742e-01 5.34 -1.508601080e-01 -1.508601080e-01 5.36 -1.455776455e-01 -1.455776455e-01 5.38 -1.404255580e-01 -1.404255580e-01 5.40 -1.353998902e-01 -1.353998902e-01 5.42 -1.304980052e-01 -1.304980052e-01 5.44 -1.257184551e-01 -1.257184551e-01 5.46 -1.210607849e-01 -1.210607849e-01 5.48 -1.165252781e-01 -1.165252781e-01 5.50 -1.121126679e-01 -1.121126679e-01 5.52 -1.078238351e-01 -1.078238351e-01 5.54 -1.036595233e-01 -1.036595233e-01 5.56 -9.962009689e-02 -9.962009689e-02 5.58 -9.570536473e-02 -9.570536473e-02 5.60 -9.191436503e-02 -9.191436503e-02 5.62 -8.824552923e-02 -8.824552923e-02 5.64 -8.469687192e-02 -8.469687192e-02 5.66 -8.126589541e-02 -8.126589541e-02 5.68 -7.794976133e-02 -7.794976133e-02 5.70 -7.474547504e-02 -7.474547504e-02 5.72 -7.165005599e-02 -7.165005599e-02 5.74 -6.866067246e-02 -6.866067246e-02 5.76 -6.577472527e-02 -6.577472527e-02 5.78 -6.298987318e-02 -6.298987318e-02 5.80 -6.030400055e-02 -6.030400055e-02 5.82 -5.771513567e-02 -5.771513567e-02 5.84 -5.522133354e-02 -5.522133354e-02 5.86 -5.282054111e-02 -5.282054111e-02 5.88 -5.051046360e-02 -5.051046360e-02 5.90 -4.828844964e-02 -4.828844964e-02 5.92 -4.615140882e-02 -4.615140882e-02 5.94 -4.409577101e-02 -4.409577101e-02 5.96 -4.211749069e-02 -4.211749069e-02 5.98 -4.021209508e-02 -4.021209508e-02 6.00 -3.837477031e-02 -3.837477031e-02