# 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 = Ag2PbTa # 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 3.755712514e+02 3.755712514e+02 1.30 3.495899301e+02 3.495899301e+02 1.32 3.254666262e+02 3.254666262e+02 1.34 3.030506358e+02 3.030506358e+02 1.36 2.822052419e+02 2.822052419e+02 1.38 2.628066357e+02 2.628066357e+02 1.40 2.447430775e+02 2.447430775e+02 1.42 2.279144633e+02 2.279144633e+02 1.44 2.122317711e+02 2.122317711e+02 1.46 1.976159003e+02 1.976159003e+02 1.48 1.839957848e+02 1.839957848e+02 1.50 1.713059310e+02 1.713059310e+02 1.52 1.594839723e+02 1.594839723e+02 1.54 1.484691532e+02 1.484691532e+02 1.56 1.382022572e+02 1.382022572e+02 1.58 1.286266382e+02 1.286266382e+02 1.60 1.196894642e+02 1.196894642e+02 1.62 1.113425032e+02 1.113425032e+02 1.64 1.035422581e+02 1.035422581e+02 1.66 9.624963271e+01 9.624963271e+01 1.68 8.942932513e+01 8.942932513e+01 1.70 8.304913147e+01 8.304913147e+01 1.72 7.707934739e+01 7.707934739e+01 1.74 7.149558530e+01 7.149558530e+01 1.76 6.627346996e+01 6.627346996e+01 1.78 6.138855921e+01 6.138855921e+01 1.80 5.682323531e+01 5.682323531e+01 1.82 5.255936280e+01 5.255936280e+01 1.84 4.857774883e+01 4.857774883e+01 1.86 4.486027342e+01 4.486027342e+01 1.88 4.139053080e+01 4.139053080e+01 1.90 3.815355039e+01 3.815355039e+01 1.92 3.513547138e+01 3.513547138e+01 1.94 3.232322468e+01 3.232322468e+01 1.96 2.970426471e+01 2.970426471e+01 1.98 2.726639723e+01 2.726639723e+01 2.00 2.499771287e+01 2.499771287e+01 2.02 2.288662481e+01 2.288662481e+01 2.04 2.092198607e+01 2.092198607e+01 2.06 1.909324756e+01 1.909324756e+01 2.08 1.739060307e+01 1.739060307e+01 2.10 1.580507660e+01 1.580507660e+01 2.12 1.432853247e+01 1.432853247e+01 2.14 1.295361802e+01 1.295361802e+01 2.16 1.167366986e+01 1.167366986e+01 2.18 1.048261165e+01 1.048261165e+01 2.20 9.374858031e+00 9.374858031e+00 2.22 8.345235034e+00 8.345235034e+00 2.24 7.388911045e+00 7.388911045e+00 2.26 6.501336399e+00 6.501336399e+00 2.28 5.678186870e+00 5.678186870e+00 2.30 4.915320761e+00 4.915320761e+00 2.32 4.208741840e+00 4.208741840e+00 2.34 3.554589677e+00 3.554589677e+00 2.36 2.949144274e+00 2.949144274e+00 2.38 2.388852657e+00 2.388852657e+00 2.40 1.870477166e+00 1.870477166e+00 2.42 1.390871379e+00 1.390871379e+00 2.44 9.470061742e-01 9.470061742e-01 2.46 5.361757747e-01 5.361757747e-01 2.48 1.559772683e-01 1.559772683e-01 2.50 -1.957251855e-01 -1.957251855e-01 2.52 -5.208363408e-01 -5.208363408e-01 2.54 -8.209052485e-01 -8.209052485e-01 2.56 -1.097219831e+00 -1.097219831e+00 2.58 -1.351050443e+00 -1.351050443e+00 2.60 -1.583656094e+00 -1.583656094e+00 2.62 -1.796278385e+00 -1.796278385e+00 2.64 -1.990134922e+00 -1.990134922e+00 2.66 -2.166404552e+00 -2.166404552e+00 2.68 -2.326215905e+00 -2.326215905e+00 2.70 -2.470635051e+00 -2.470635051e+00 2.72 -2.600658337e+00 -2.600658337e+00 2.74 -2.717210796e+00 -2.717210796e+00 2.76 -2.821149246e+00 -2.821149246e+00 2.78 -2.913268070e+00 -2.913268070e+00 2.80 -2.994306450e+00 -2.994306450e+00 2.82 -3.064954288e+00 -3.064954288e+00 2.84 -3.125858434e+00 -3.125858434e+00 2.86 -3.177627525e+00 -3.177627525e+00 2.88 -3.220836323e+00 -3.220836323e+00 2.90 -3.256029630e+00 -3.256029630e+00 2.92 -3.283725957e+00 -3.283725957e+00 2.94 -3.304420989e+00 -3.304420989e+00 2.96 -3.318590772e+00 -3.318590772e+00 2.98 -3.326694420e+00 -3.326694420e+00 3.00 -3.329175977e+00 -3.329175977e+00 3.02 -3.326465015e+00 -3.326465015e+00 3.04 -3.318974655e+00 -3.318974655e+00 3.06 -3.307111054e+00 -3.307111054e+00 3.08 -3.291410816e+00 -3.291410816e+00 3.10 -3.272149558e+00 -3.272149558e+00 3.12 -3.249489463e+00 -3.249489463e+00 3.14 -3.223591432e+00 -3.223591432e+00 3.16 -3.194608482e+00 -3.194608482e+00 3.18 -3.162686989e+00 -3.162686989e+00 3.20 -3.127967514e+00 -3.127967514e+00 3.22 -3.090634120e+00 -3.090634120e+00 3.24 -3.050807635e+00 -3.050807635e+00 3.26 -3.008551550e+00 -3.008551550e+00 3.28 -2.963964206e+00 -2.963964206e+00 3.30 -2.917172899e+00 -2.917172899e+00 3.32 -2.868333661e+00 -2.868333661e+00 3.34 -2.817607220e+00 -2.817607220e+00 3.36 -2.765159045e+00 -2.765159045e+00 3.38 -2.711182774e+00 -2.711182774e+00 3.40 -2.655890769e+00 -2.655890769e+00 3.42 -2.599502546e+00 -2.599502546e+00 3.44 -2.542231649e+00 -2.542231649e+00 3.46 -2.484275897e+00 -2.484275897e+00 3.48 -2.425809291e+00 -2.425809291e+00 3.50 -2.366977226e+00 -2.366977226e+00 3.52 -2.307894821e+00 -2.307894821e+00 3.54 -2.248648054e+00 -2.248648054e+00 3.56 -2.189297146e+00 -2.189297146e+00 3.58 -2.129881611e+00 -2.129881611e+00 3.60 -2.070426389e+00 -2.070426389e+00 3.62 -2.010948571e+00 -2.010948571e+00 3.64 -1.951464296e+00 -1.951464296e+00 3.66 -1.891995434e+00 -1.891995434e+00 3.68 -1.832575710e+00 -1.832575710e+00 3.70 -1.773255912e+00 -1.773255912e+00 3.72 -1.714107828e+00 -1.714107828e+00 3.74 -1.655226612e+00 -1.655226612e+00 3.76 -1.596731309e+00 -1.596731309e+00 3.78 -1.538763412e+00 -1.538763412e+00 3.80 -1.481483460e+00 -1.481483460e+00 3.82 -1.425065870e+00 -1.425065870e+00 3.84 -1.369692352e+00 -1.369692352e+00 3.86 -1.315544423e+00 -1.315544423e+00 3.88 -1.262795625e+00 -1.262795625e+00 3.90 -1.211604100e+00 -1.211604100e+00 3.92 -1.162105658e+00 -1.162105658e+00 3.94 -1.114410801e+00 -1.114410801e+00 3.96 -1.068598361e+00 -1.068598361e+00 3.98 -1.024716452e+00 -1.024716452e+00 4.00 -9.827824345e-01 -9.827824345e-01 4.02 -9.427850508e-01 -9.427850508e-01 4.04 -9.046877760e-01 -9.046877760e-01 4.06 -8.684329787e-01 -8.684329787e-01 4.08 -8.339464852e-01 -8.339464852e-01 4.10 -8.011411436e-01 -8.011411436e-01 4.12 -7.699256432e-01 -7.699256432e-01 4.14 -7.402015622e-01 -7.402015622e-01 4.16 -7.118717074e-01 -7.118717074e-01 4.18 -6.848417064e-01 -6.848417064e-01 4.20 -6.590222854e-01 -6.590222854e-01 4.22 -6.343309475e-01 -6.343309475e-01 4.24 -6.106930701e-01 -6.106930701e-01 4.26 -5.880424426e-01 -5.880424426e-01 4.28 -5.663212772e-01 -5.663212772e-01 4.30 -5.454797371e-01 -5.454797371e-01 4.32 -5.254750495e-01 -5.254750495e-01 4.34 -5.062702980e-01 -5.062702980e-01 4.36 -4.878330134e-01 -4.878330134e-01 4.38 -4.701337037e-01 -4.701337037e-01 4.40 -4.531444628e-01 -4.531444628e-01 4.42 -4.368377817e-01 -4.368377817e-01 4.44 -4.211856501e-01 -4.211856501e-01 4.46 -4.061589914e-01 -4.061589914e-01 4.48 -3.917274247e-01 -3.917274247e-01 4.50 -3.778593105e-01 -3.778593105e-01 4.52 -3.645220084e-01 -3.645220084e-01 4.54 -3.516822686e-01 -3.516822686e-01 4.56 -3.393066830e-01 -3.393066830e-01 4.58 -3.273621357e-01 -3.273621357e-01 4.60 -3.158162150e-01 -3.158162150e-01 4.62 -3.046375641e-01 -3.046375641e-01 4.64 -2.937961678e-01 -2.937961678e-01 4.66 -2.832635822e-01 -2.832635822e-01 4.68 -2.730131232e-01 -2.730131232e-01 4.70 -2.630200315e-01 -2.630200315e-01 4.72 -2.532616305e-01 -2.532616305e-01 4.74 -2.437174940e-01 -2.437174940e-01 4.76 -2.343696312e-01 -2.343696312e-01 4.78 -2.252026936e-01 -2.252026936e-01 4.80 -2.162034335e-01 -2.162034335e-01 4.82 -2.073641158e-01 -2.073641158e-01 4.84 -1.986777573e-01 -1.986777573e-01 4.86 -1.901417657e-01 -1.901417657e-01 4.88 -1.817571278e-01 -1.817571278e-01 4.90 -1.735283973e-01 -1.735283973e-01 4.92 -1.654635415e-01 -1.654635415e-01 4.94 -1.575736205e-01 -1.575736205e-01 4.96 -1.498722899e-01 -1.498722899e-01 4.98 -1.423751316e-01 -1.423751316e-01 5.00 -1.350988435e-01 -1.350988435e-01 5.02 -1.280603308e-01 -1.280603308e-01 5.04 -1.212757720e-01 -1.212757720e-01 5.06 -1.147597295e-01 -1.147597295e-01 5.08 -1.085243774e-01 -1.085243774e-01 5.10 -1.025789066e-01 -1.025789066e-01 5.12 -9.692914390e-02 -9.692914390e-02 5.14 -9.157740771e-02 -9.157740771e-02 5.16 -8.652258435e-02 -8.652258435e-02 5.18 -8.176039262e-02 -8.176039262e-02 5.20 -7.728355347e-02 -7.728355347e-02 5.22 -7.308238940e-02 -7.308238940e-02 5.24 -6.914624587e-02 -6.914624587e-02 5.26 -6.546309536e-02 -6.546309536e-02 5.28 -6.201999748e-02 -6.201999748e-02 5.30 -5.880352527e-02 -5.880352527e-02 5.32 -5.580010006e-02 -5.580010006e-02 5.34 -5.299623838e-02 -5.299623838e-02 5.36 -5.037863969e-02 -5.037863969e-02 5.38 -4.793437653e-02 -4.793437653e-02 5.40 -4.565115341e-02 -4.565115341e-02 5.42 -4.351712100e-02 -4.351712100e-02 5.44 -4.152090377e-02 -4.152090377e-02 5.46 -3.965162205e-02 -3.965162205e-02 5.48 -3.789890881e-02 -3.789890881e-02 5.50 -3.625292336e-02 -3.625292336e-02 5.52 -3.470436279e-02 -3.470436279e-02 5.54 -3.324447032e-02 -3.324447032e-02 5.56 -3.186503991e-02 -3.186503991e-02 5.58 -3.055841605e-02 -3.055841605e-02 5.60 -2.931748852e-02 -2.931748852e-02 5.62 -2.813568218e-02 -2.813568218e-02 5.64 -2.700694196e-02 -2.700694196e-02 5.66 -2.592571484e-02 -2.592571484e-02 5.68 -2.488692935e-02 -2.488692935e-02 5.70 -2.388597404e-02 -2.388597404e-02 5.72 -2.291867613e-02 -2.291867613e-02 5.74 -2.198128143e-02 -2.198128143e-02 5.76 -2.107043645e-02 -2.107043645e-02 5.78 -2.018317329e-02 -2.018317329e-02 5.80 -1.931689769e-02 -1.931689769e-02 5.82 -1.846938028e-02 -1.846938028e-02 5.84 -1.763875069e-02 -1.763875069e-02 5.86 -1.682349403e-02 -1.682349403e-02 5.88 -1.602244868e-02 -1.602244868e-02 5.90 -1.523480431e-02 -1.523480431e-02 5.92 -1.446009872e-02 -1.446009872e-02 5.94 -1.369819429e-02 -1.369819429e-02 5.96 -1.294920466e-02 -1.294920466e-02 5.98 -1.221366414e-02 -1.221366414e-02 6.00 -1.149241669e-02 -1.149241669e-02