# 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 = AlTa2Zr # 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 3.085348289e+02 3.085348289e+02 1.30 2.871420065e+02 2.871420065e+02 1.32 2.672883548e+02 2.672883548e+02 1.34 2.488521420e+02 2.488521420e+02 1.36 2.317211292e+02 2.317211292e+02 1.38 2.157926351e+02 2.157926351e+02 1.40 2.009730917e+02 2.009730917e+02 1.42 1.871771409e+02 1.871771409e+02 1.44 1.743264847e+02 1.743264847e+02 1.46 1.623489307e+02 1.623489307e+02 1.48 1.511779673e+02 1.511779673e+02 1.50 1.407526621e+02 1.407526621e+02 1.52 1.310173896e+02 1.310173896e+02 1.54 1.219212346e+02 1.219212346e+02 1.56 1.134174205e+02 1.134174205e+02 1.58 1.054630560e+02 1.054630560e+02 1.60 9.801912146e+01 9.801912146e+01 1.62 9.105039187e+01 9.105039187e+01 1.64 8.452516563e+01 8.452516563e+01 1.66 7.841480800e+01 7.841480800e+01 1.68 7.269325770e+01 7.269325770e+01 1.70 6.733658005e+01 6.733658005e+01 1.72 6.232254824e+01 6.232254824e+01 1.74 5.763026111e+01 5.763026111e+01 1.76 5.323982908e+01 5.323982908e+01 1.78 4.913219420e+01 4.913219420e+01 1.80 4.528907992e+01 4.528907992e+01 1.82 4.169303641e+01 4.169303641e+01 1.84 3.832750452e+01 3.832750452e+01 1.86 3.517691148e+01 3.517691148e+01 1.88 3.222672142e+01 3.222672142e+01 1.90 2.946345276e+01 2.946345276e+01 1.92 2.687464220e+01 2.687464220e+01 1.94 2.444877955e+01 2.444877955e+01 1.96 2.217964726e+01 2.217964726e+01 1.98 2.006186301e+01 2.006186301e+01 2.00 1.808580969e+01 1.808580969e+01 2.02 1.624241392e+01 1.624241392e+01 2.04 1.452449183e+01 1.452449183e+01 2.06 1.292412542e+01 1.292412542e+01 2.08 1.143349589e+01 1.143349589e+01 2.10 1.004529664e+01 1.004529664e+01 2.12 8.752743117e+00 8.752743117e+00 2.14 7.549567686e+00 7.549567686e+00 2.16 6.430002986e+00 6.430002986e+00 2.18 5.388743586e+00 5.388743586e+00 2.20 4.420900956e+00 4.420900956e+00 2.22 3.521937605e+00 3.521937605e+00 2.24 2.687606924e+00 2.687606924e+00 2.26 1.913901828e+00 1.913901828e+00 2.28 1.197012596e+00 1.197012596e+00 2.30 5.333046451e-01 5.333046451e-01 2.32 -8.071179460e-02 -8.071179460e-02 2.34 -6.483797103e-01 -6.483797103e-01 2.36 -1.172899339e+00 -1.172899339e+00 2.38 -1.657308460e+00 -1.657308460e+00 2.40 -2.104457594e+00 -2.104457594e+00 2.42 -2.516992201e+00 -2.516992201e+00 2.44 -2.897340493e+00 -2.897340493e+00 2.46 -3.247723600e+00 -3.247723600e+00 2.48 -3.570173626e+00 -3.570173626e+00 2.50 -3.866558179e+00 -3.866558179e+00 2.52 -4.138604843e+00 -4.138604843e+00 2.54 -4.387922374e+00 -4.387922374e+00 2.56 -4.616017883e+00 -4.616017883e+00 2.58 -4.824310202e+00 -4.824310202e+00 2.60 -5.014138753e+00 -5.014138753e+00 2.62 -5.186764393e+00 -5.186764393e+00 2.64 -5.343372075e+00 -5.343372075e+00 2.66 -5.485049165e+00 -5.485049165e+00 2.68 -5.612784182e+00 -5.612784182e+00 2.70 -5.727459802e+00 -5.727459802e+00 2.72 -5.829809497e+00 -5.829809497e+00 2.74 -5.920397898e+00 -5.920397898e+00 2.76 -5.999949571e+00 -5.999949571e+00 2.78 -6.069120940e+00 -6.069120940e+00 2.80 -6.128497315e+00 -6.128497315e+00 2.82 -6.178602987e+00 -6.178602987e+00 2.84 -6.219961684e+00 -6.219961684e+00 2.86 -6.252987107e+00 -6.252987107e+00 2.88 -6.278051962e+00 -6.278051962e+00 2.90 -6.295521265e+00 -6.295521265e+00 2.92 -6.305631399e+00 -6.305631399e+00 2.94 -6.308449128e+00 -6.308449128e+00 2.96 -6.304081035e+00 -6.304081035e+00 2.98 -6.292684297e+00 -6.292684297e+00 3.00 -6.274457324e+00 -6.274457324e+00 3.02 -6.249601430e+00 -6.249601430e+00 3.04 -6.218262747e+00 -6.218262747e+00 3.06 -6.180607263e+00 -6.180607263e+00 3.08 -6.136817965e+00 -6.136817965e+00 3.10 -6.087090178e+00 -6.087090178e+00 3.12 -6.031620820e+00 -6.031620820e+00 3.14 -5.970616333e+00 -5.970616333e+00 3.16 -5.904584271e+00 -5.904584271e+00 3.18 -5.834131067e+00 -5.834131067e+00 3.20 -5.759249771e+00 -5.759249771e+00 3.22 -5.680005906e+00 -5.680005906e+00 3.24 -5.596556164e+00 -5.596556164e+00 3.26 -5.509150802e+00 -5.509150802e+00 3.28 -5.418130636e+00 -5.418130636e+00 3.30 -5.323916539e+00 -5.323916539e+00 3.32 -5.226990619e+00 -5.226990619e+00 3.34 -5.127873609e+00 -5.127873609e+00 3.36 -5.027099555e+00 -5.027099555e+00 3.38 -4.925174009e+00 -4.925174009e+00 3.40 -4.822545130e+00 -4.822545130e+00 3.42 -4.719587495e+00 -4.719587495e+00 3.44 -4.616587280e+00 -4.616587280e+00 3.46 -4.513743741e+00 -4.513743741e+00 3.48 -4.411173405e+00 -4.411173405e+00 3.50 -4.308919846e+00 -4.308919846e+00 3.52 -4.206966199e+00 -4.206966199e+00 3.54 -4.105248847e+00 -4.105248847e+00 3.56 -4.003671256e+00 -4.003671256e+00 3.58 -3.902117399e+00 -3.902117399e+00 3.60 -3.800464542e+00 -3.800464542e+00 3.62 -3.698595356e+00 -3.698595356e+00 3.64 -3.596409439e+00 -3.596409439e+00 3.66 -3.493834224e+00 -3.493834224e+00 3.68 -3.390835223e+00 -3.390835223e+00 3.70 -3.287425300e+00 -3.287425300e+00 3.72 -3.183672555e+00 -3.183672555e+00 3.74 -3.079706190e+00 -3.079706190e+00 3.76 -2.975719634e+00 -2.975719634e+00 3.78 -2.871970205e+00 -2.871970205e+00 3.80 -2.768774701e+00 -2.768774701e+00 3.82 -2.666500564e+00 -2.666500564e+00 3.84 -2.565552692e+00 -2.565552692e+00 3.86 -2.466356470e+00 -2.466356470e+00 3.88 -2.369338147e+00 -2.369338147e+00 3.90 -2.274904186e+00 -2.274904186e+00 3.92 -2.183420148e+00 -2.183420148e+00 3.94 -2.095199536e+00 -2.095199536e+00 3.96 -2.010482277e+00 -2.010482277e+00 3.98 -1.929434073e+00 -1.929434073e+00 4.00 -1.852143323e+00 -1.852143323e+00 4.02 -1.778624849e+00 -1.778624849e+00 4.04 -1.708827678e+00 -1.708827678e+00 4.06 -1.642645535e+00 -1.642645535e+00 4.08 -1.579928743e+00 -1.579928743e+00 4.10 -1.520491061e+00 -1.520491061e+00 4.12 -1.464143471e+00 -1.464143471e+00 4.14 -1.410669431e+00 -1.410669431e+00 4.16 -1.359858473e+00 -1.359858473e+00 4.18 -1.311506853e+00 -1.311506853e+00 4.20 -1.265423135e+00 -1.265423135e+00 4.22 -1.221432181e+00 -1.221432181e+00 4.24 -1.179377614e+00 -1.179377614e+00 4.26 -1.139122855e+00 -1.139122855e+00 4.28 -1.100550868e+00 -1.100550868e+00 4.30 -1.063562749e+00 -1.063562749e+00 4.32 -1.028075382e+00 -1.028075382e+00 4.34 -9.940184355e-01 -9.940184355e-01 4.36 -9.613310151e-01 -9.613310151e-01 4.38 -9.299583107e-01 -9.299583107e-01 4.40 -8.998485547e-01 -8.998485547e-01 4.42 -8.709505406e-01 -8.709505406e-01 4.44 -8.432118487e-01 -8.432118487e-01 4.46 -8.165778208e-01 -8.165778208e-01 4.48 -7.909912223e-01 -7.909912223e-01 4.50 -7.663924601e-01 -7.663924601e-01 4.52 -7.427201868e-01 -7.427201868e-01 4.54 -7.199121226e-01 -7.199121226e-01 4.56 -6.979059481e-01 -6.979059481e-01 4.58 -6.766401577e-01 -6.766401577e-01 4.60 -6.560548104e-01 -6.560548104e-01 4.62 -6.360921504e-01 -6.360921504e-01 4.64 -6.166970909e-01 -6.166970909e-01 4.66 -5.978173594e-01 -5.978173594e-01 4.68 -5.794044020e-01 -5.794044020e-01 4.70 -5.614133920e-01 -5.614133920e-01 4.72 -5.438033189e-01 -5.438033189e-01 4.74 -5.265373351e-01 -5.265373351e-01 4.76 -5.095831240e-01 -5.095831240e-01 4.78 -4.929133013e-01 -4.929133013e-01 4.80 -4.765026568e-01 -4.765026568e-01 4.82 -4.603418582e-01 -4.603418582e-01 4.84 -4.444170129e-01 -4.444170129e-01 4.86 -4.287245251e-01 -4.287245251e-01 4.88 -4.132673838e-01 -4.132673838e-01 4.90 -3.980550656e-01 -3.980550656e-01 4.92 -3.831031549e-01 -3.831031549e-01 4.94 -3.684326422e-01 -3.684326422e-01 4.96 -3.540688945e-01 -3.540688945e-01 4.98 -3.400403261e-01 -3.400403261e-01 5.00 -3.263768400e-01 -3.263768400e-01 5.02 -3.131081419e-01 -3.131081419e-01 5.04 -3.002620553e-01 -3.002620553e-01 5.06 -2.878629700e-01 -2.878629700e-01 5.08 -2.759305474e-01 -2.759305474e-01 5.10 -2.644787736e-01 -2.644787736e-01 5.12 -2.535154154e-01 -2.535154154e-01 5.14 -2.430418872e-01 -2.430418872e-01 5.16 -2.330534972e-01 -2.330534972e-01 5.18 -2.235400112e-01 -2.235400112e-01 5.20 -2.144864511e-01 -2.144864511e-01 5.22 -2.058740408e-01 -2.058740408e-01 5.24 -1.976812168e-01 -1.976812168e-01 5.26 -1.898846323e-01 -1.898846323e-01 5.28 -1.824601000e-01 -1.824601000e-01 5.30 -1.753834349e-01 -1.753834349e-01 5.32 -1.686311723e-01 -1.686311723e-01 5.34 -1.621811486e-01 -1.621811486e-01 5.36 -1.560129402e-01 -1.560129402e-01 5.38 -1.501081598e-01 -1.501081598e-01 5.40 -1.444506142e-01 -1.444506142e-01 5.42 -1.390263299e-01 -1.390263299e-01 5.44 -1.338234596e-01 -1.338234596e-01 5.46 -1.288320822e-01 -1.288320822e-01 5.48 -1.240439131e-01 -1.240439131e-01 5.50 -1.194519585e-01 -1.194519585e-01 5.52 -1.150501387e-01 -1.150501387e-01 5.54 -1.108329085e-01 -1.108329085e-01 5.56 -1.067949088e-01 -1.067949088e-01 5.58 -1.029306716e-01 -1.029306716e-01 5.60 -9.923427466e-02 -9.923427466e-02 5.62 -9.569938511e-02 -9.569938511e-02 5.64 -9.231932000e-02 -9.231932000e-02 5.66 -8.908682915e-02 -8.908682915e-02 5.68 -8.599416742e-02 -8.599416742e-02 5.70 -8.303320537e-02 -8.303320537e-02 5.72 -8.019555937e-02 -8.019555937e-02 5.74 -7.747272543e-02 -7.747272543e-02 5.76 -7.485620451e-02 -7.485620451e-02 5.78 -7.233761138e-02 -7.233761138e-02 5.80 -6.990876302e-02 -6.990876302e-02 5.82 -6.756174542e-02 -6.756174542e-02 5.84 -6.528896045e-02 -6.528896045e-02 5.86 -6.308315570e-02 -6.308315570e-02 5.88 -6.093744128e-02 -6.093744128e-02 5.90 -5.884529770e-02 -5.884529770e-02 5.92 -5.680057912e-02 -5.680057912e-02 5.94 -5.479751566e-02 -5.479751566e-02 5.96 -5.283071841e-02 -5.283071841e-02 5.98 -5.089519003e-02 -5.089519003e-02 6.00 -4.898634142e-02 -4.898634142e-02