# 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 = Co2NiPd # 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 1.670096721e+02 1.670096721e+02 1.30 1.535559816e+02 1.535559816e+02 1.32 1.411534281e+02 1.411534281e+02 1.34 1.297162560e+02 1.297162560e+02 1.36 1.191652661e+02 1.191652661e+02 1.38 1.094270260e+02 1.094270260e+02 1.40 1.004338982e+02 1.004338982e+02 1.42 9.212442025e+01 9.212442025e+01 1.44 8.444340839e+01 8.444340839e+01 1.46 7.734149468e+01 7.734149468e+01 1.48 7.077417107e+01 7.077417107e+01 1.50 6.470062346e+01 6.470062346e+01 1.52 5.908283016e+01 5.908283016e+01 1.54 5.388521778e+01 5.388521778e+01 1.56 4.907465477e+01 4.907465477e+01 1.58 4.462043224e+01 4.462043224e+01 1.60 4.049420374e+01 4.049420374e+01 1.62 3.667003413e+01 3.667003413e+01 1.64 3.313566062e+01 3.313566062e+01 1.66 2.988126575e+01 2.988126575e+01 1.68 2.688585695e+01 2.688585695e+01 1.70 2.413032080e+01 2.413032080e+01 1.72 2.159699383e+01 2.159699383e+01 1.74 1.926931015e+01 1.926931015e+01 1.76 1.713158114e+01 1.713158114e+01 1.78 1.516894885e+01 1.516894885e+01 1.80 1.336749321e+01 1.336749321e+01 1.82 1.171437415e+01 1.171437415e+01 1.84 1.019787760e+01 1.019787760e+01 1.86 8.807331949e+00 8.807331949e+00 1.88 7.532955608e+00 7.532955608e+00 1.90 6.365711949e+00 6.365711949e+00 1.92 5.297213832e+00 5.297213832e+00 1.94 4.319685149e+00 4.319685149e+00 1.96 3.425959291e+00 3.425959291e+00 1.98 2.609477744e+00 2.609477744e+00 2.00 1.864262330e+00 1.864262330e+00 2.02 1.184862247e+00 1.184862247e+00 2.04 5.662907123e-01 5.662907123e-01 2.06 3.962543461e-03 3.962543461e-03 2.08 -5.063601493e-01 -5.063601493e-01 2.10 -9.686089557e-01 -9.686089557e-01 2.12 -1.386435722e+00 -1.386435722e+00 2.14 -1.763227863e+00 -1.763227863e+00 2.16 -2.102117252e+00 -2.102117252e+00 2.18 -2.405987799e+00 -2.405987799e+00 2.20 -2.677487164e+00 -2.677487164e+00 2.22 -2.919046836e+00 -2.919046836e+00 2.24 -3.132910482e+00 -3.132910482e+00 2.26 -3.321166034e+00 -3.321166034e+00 2.28 -3.485775982e+00 -3.485775982e+00 2.30 -3.628602149e+00 -3.628602149e+00 2.32 -3.751422354e+00 -3.751422354e+00 2.34 -3.855936080e+00 -3.855936080e+00 2.36 -3.943757485e+00 -3.943757485e+00 2.38 -4.016399027e+00 -4.016399027e+00 2.40 -4.075257734e+00 -4.075257734e+00 2.42 -4.121700877e+00 -4.121700877e+00 2.44 -4.156826942e+00 -4.156826942e+00 2.46 -4.181582665e+00 -4.181582665e+00 2.48 -4.196875492e+00 -4.196875492e+00 2.50 -4.203581930e+00 -4.203581930e+00 2.52 -4.202843701e+00 -4.202843701e+00 2.54 -4.195553575e+00 -4.195553575e+00 2.56 -4.182203648e+00 -4.182203648e+00 2.58 -4.163018818e+00 -4.163018818e+00 2.60 -4.138188143e+00 -4.138188143e+00 2.62 -4.107964584e+00 -4.107964584e+00 2.64 -4.072635490e+00 -4.072635490e+00 2.66 -4.032505703e+00 -4.032505703e+00 2.68 -3.987922981e+00 -3.987922981e+00 2.70 -3.939235551e+00 -3.939235551e+00 2.72 -3.886775926e+00 -3.886775926e+00 2.74 -3.830871651e+00 -3.830871651e+00 2.76 -3.771851130e+00 -3.771851130e+00 2.78 -3.710042866e+00 -3.710042866e+00 2.80 -3.645770108e+00 -3.645770108e+00 2.82 -3.579344692e+00 -3.579344692e+00 2.84 -3.511063409e+00 -3.511063409e+00 2.86 -3.441208272e+00 -3.441208272e+00 2.88 -3.370049838e+00 -3.370049838e+00 2.90 -3.297851462e+00 -3.297851462e+00 2.92 -3.224872341e+00 -3.224872341e+00 2.94 -3.151368207e+00 -3.151368207e+00 2.96 -3.077589783e+00 -3.077589783e+00 2.98 -3.003779984e+00 -3.003779984e+00 3.00 -2.930170801e+00 -2.930170801e+00 3.02 -2.856980122e+00 -2.856980122e+00 3.04 -2.784408053e+00 -2.784408053e+00 3.06 -2.712632329e+00 -2.712632329e+00 3.08 -2.641803194e+00 -2.641803194e+00 3.10 -2.572039200e+00 -2.572039200e+00 3.12 -2.503425589e+00 -2.503425589e+00 3.14 -2.436016241e+00 -2.436016241e+00 3.16 -2.369838848e+00 -2.369838848e+00 3.18 -2.304901964e+00 -2.304901964e+00 3.20 -2.241202275e+00 -2.241202275e+00 3.22 -2.178730813e+00 -2.178730813e+00 3.24 -2.117477479e+00 -2.117477479e+00 3.26 -2.057433823e+00 -2.057433823e+00 3.28 -1.998594335e+00 -1.998594335e+00 3.30 -1.940956666e+00 -1.940956666e+00 3.32 -1.884521136e+00 -1.884521136e+00 3.34 -1.829289846e+00 -1.829289846e+00 3.36 -1.775265614e+00 -1.775265614e+00 3.38 -1.722450895e+00 -1.722450895e+00 3.40 -1.670846775e+00 -1.670846775e+00 3.42 -1.620452118e+00 -1.620452118e+00 3.44 -1.571262896e+00 -1.571262896e+00 3.46 -1.523271716e+00 -1.523271716e+00 3.48 -1.476467544e+00 -1.476467544e+00 3.50 -1.430835608e+00 -1.430835608e+00 3.52 -1.386357459e+00 -1.386357459e+00 3.54 -1.343011166e+00 -1.343011166e+00 3.56 -1.300771601e+00 -1.300771601e+00 3.58 -1.259610811e+00 -1.259610811e+00 3.60 -1.219498438e+00 -1.219498438e+00 3.62 -1.180402213e+00 -1.180402213e+00 3.64 -1.142288510e+00 -1.142288510e+00 3.66 -1.105122992e+00 -1.105122992e+00 3.68 -1.068871358e+00 -1.068871358e+00 3.70 -1.033500199e+00 -1.033500199e+00 3.72 -9.989779460e-01 -9.989779460e-01 3.74 -9.652758653e-01 -9.652758653e-01 3.76 -9.323690139e-01 -9.323690139e-01 3.78 -9.002370595e-01 -9.002370595e-01 3.80 -8.688648269e-01 -8.688648269e-01 3.82 -8.382424488e-01 -8.382424488e-01 3.84 -8.083650194e-01 -8.083650194e-01 3.86 -7.792317101e-01 -7.792317101e-01 3.88 -7.508443971e-01 -7.508443971e-01 3.90 -7.232059459e-01 -7.232059459e-01 3.92 -6.963183890e-01 -6.963183890e-01 3.94 -6.701812742e-01 -6.701812742e-01 3.96 -6.447904429e-01 -6.447904429e-01 3.98 -6.201374187e-01 -6.201374187e-01 4.00 -5.962094614e-01 -5.962094614e-01 4.02 -5.729902109e-01 -5.729902109e-01 4.04 -5.504607450e-01 -5.504607450e-01 4.06 -5.286008191e-01 -5.286008191e-01 4.08 -5.073900601e-01 -5.073900601e-01 4.10 -4.868089363e-01 -4.868089363e-01 4.12 -4.668394039e-01 -4.668394039e-01 4.14 -4.474652073e-01 -4.474652073e-01 4.16 -4.286718976e-01 -4.286718976e-01 4.18 -4.104466595e-01 -4.104466595e-01 4.20 -3.927780562e-01 -3.927780562e-01 4.22 -3.756557718e-01 -3.756557718e-01 4.24 -3.590703864e-01 -3.590703864e-01 4.26 -3.430131759e-01 -3.430131759e-01 4.28 -3.274759021e-01 -3.274759021e-01 4.30 -3.124505646e-01 -3.124505646e-01 4.32 -2.979291168e-01 -2.979291168e-01 4.34 -2.839031867e-01 -2.839031867e-01 4.36 -2.703638673e-01 -2.703638673e-01 4.38 -2.573016346e-01 -2.573016346e-01 4.40 -2.447064144e-01 -2.447064144e-01 4.42 -2.325677620e-01 -2.325677620e-01 4.44 -2.208750762e-01 -2.208750762e-01 4.46 -2.096177474e-01 -2.096177474e-01 4.48 -1.987851624e-01 -1.987851624e-01 4.50 -1.883665349e-01 -1.883665349e-01 4.52 -1.783505933e-01 -1.783505933e-01 4.54 -1.687252088e-01 -1.687252088e-01 4.56 -1.594770734e-01 -1.594770734e-01 4.58 -1.505915321e-01 -1.505915321e-01 4.60 -1.420526401e-01 -1.420526401e-01 4.62 -1.338434651e-01 -1.338434651e-01 4.64 -1.259466073e-01 -1.259466073e-01 4.66 -1.183448621e-01 -1.183448621e-01 4.68 -1.110219369e-01 -1.110219369e-01 4.70 -1.039631247e-01 -1.039631247e-01 4.72 -9.715585586e-02 -9.715585586e-02 4.74 -9.059007694e-02 -9.059007694e-02 4.76 -8.425843649e-02 -8.425843649e-02 4.78 -7.815628828e-02 -7.815628828e-02 4.80 -7.228154477e-02 -7.228154477e-02 4.82 -6.663442652e-02 -6.663442652e-02 4.84 -6.121714687e-02 -6.121714687e-02 4.86 -5.603356611e-02 -5.603356611e-02 4.88 -5.108882340e-02 -5.108882340e-02 4.90 -4.638894273e-02 -4.638894273e-02 4.92 -4.194039676e-02 -4.194039676e-02 4.94 -3.774958040e-02 -3.774958040e-02 4.96 -3.382202716e-02 -3.382202716e-02 4.98 -3.016247323e-02 -3.016247323e-02 5.00 -2.677387143e-02 -2.677387143e-02 5.02 -2.365673634e-02 -2.365673634e-02 5.04 -2.080876448e-02 -2.080876448e-02 5.06 -1.822463149e-02 -1.822463149e-02 5.08 -1.589583044e-02 -1.589583044e-02 5.10 -1.381110178e-02 -1.381110178e-02 5.12 -1.195710781e-02 -1.195710781e-02 5.14 -1.031854788e-02 -1.031854788e-02 5.16 -8.878766944e-03 -8.878766944e-03 5.18 -7.620374303e-03 -7.620374303e-03 5.20 -6.525815782e-03 -6.525815782e-03 5.22 -5.577864025e-03 -5.577864025e-03 5.24 -4.760008212e-03 -4.760008212e-03 5.26 -4.056738794e-03 -4.056738794e-03 5.28 -3.453733497e-03 -3.453733497e-03 5.30 -2.937957513e-03 -2.937957513e-03 5.32 -2.497693943e-03 -2.497693943e-03 5.34 -2.122521122e-03 -2.122521122e-03 5.36 -1.803252183e-03 -1.803252183e-03 5.38 -1.531850070e-03 -1.531850070e-03 5.40 -1.301328622e-03 -1.301328622e-03 5.42 -1.105647896e-03 -1.105647896e-03 5.44 -9.396096013e-04 -9.396096013e-04 5.46 -7.987566628e-04 -7.987566628e-04 5.48 -6.792794535e-04 -6.792794535e-04 5.50 -5.779300823e-04 -5.779300823e-04 5.52 -4.919453293e-04 -4.919453293e-04 5.54 -4.189782454e-04 -4.189782454e-04 5.56 -3.570380653e-04 -3.570380653e-04 5.58 -3.044378603e-04 -3.044378603e-04 5.60 -2.597492404e-04 -2.597492404e-04 5.62 -2.217633706e-04 -2.217633706e-04 5.64 -1.894575693e-04 -1.894575693e-04 5.66 -1.619667930e-04 -1.619667930e-04 5.68 -1.385593636e-04 -1.385593636e-04 5.70 -1.186163557e-04 -1.186163557e-04 5.72 -1.016141241e-04 -1.016141241e-04 5.74 -8.710951633e-05 -8.710951633e-05 5.76 -7.472737007e-05 -7.472737007e-05 5.78 -6.414995305e-05 -6.414995305e-05 5.80 -5.510804820e-05 -5.510804820e-05 5.82 -4.737343110e-05 -4.737343110e-05 5.84 -4.075252387e-05 -4.075252387e-05 5.86 -3.508104187e-05 -3.508104187e-05 5.88 -3.021947785e-05 -3.021947785e-05 5.90 -2.604929196e-05 -2.604929196e-05 5.92 -2.246969664e-05 -2.246969664e-05 5.94 -1.939494258e-05 -1.939494258e-05 5.96 -1.675202689e-05 -1.675202689e-05 5.98 -1.447875695e-05 -1.447875695e-05 6.00 -1.252211400e-05 -1.252211400e-05