# 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 = Ag2MoTa # 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 3.347967241e+02 3.347967241e+02 1.30 3.103083169e+02 3.103083169e+02 1.32 2.876471035e+02 2.876471035e+02 1.34 2.666637163e+02 2.666637163e+02 1.36 2.472220658e+02 2.472220658e+02 1.38 2.291985147e+02 2.291985147e+02 1.40 2.124808695e+02 2.124808695e+02 1.42 1.969672500e+02 1.969672500e+02 1.44 1.825647851e+02 1.825647851e+02 1.46 1.691882614e+02 1.691882614e+02 1.48 1.567590848e+02 1.567590848e+02 1.50 1.452047582e+02 1.452047582e+02 1.52 1.344587017e+02 1.344587017e+02 1.54 1.244601349e+02 1.244601349e+02 1.56 1.151538833e+02 1.151538833e+02 1.58 1.064900501e+02 1.064900501e+02 1.60 9.842348652e+01 9.842348652e+01 1.62 9.091306743e+01 9.091306743e+01 1.64 8.392091502e+01 8.392091502e+01 1.66 7.741175298e+01 7.741175298e+01 1.68 7.135249882e+01 7.135249882e+01 1.70 6.571208077e+01 6.571208077e+01 1.72 6.046137806e+01 6.046137806e+01 1.74 5.557317395e+01 5.557317395e+01 1.76 5.102326725e+01 5.102326725e+01 1.78 4.679196938e+01 4.679196938e+01 1.80 4.285862108e+01 4.285862108e+01 1.82 3.920342163e+01 3.920342163e+01 1.84 3.580782245e+01 3.580782245e+01 1.86 3.265643301e+01 3.265643301e+01 1.88 2.973294914e+01 2.973294914e+01 1.90 2.702212072e+01 2.702212072e+01 1.92 2.450972309e+01 2.450972309e+01 1.94 2.218236403e+01 2.218236403e+01 1.96 2.002733589e+01 2.002733589e+01 1.98 1.803252358e+01 1.803252358e+01 2.00 1.618636897e+01 1.618636897e+01 2.02 1.447788591e+01 1.447788591e+01 2.04 1.289671070e+01 1.289671070e+01 2.06 1.143316182e+01 1.143316182e+01 2.08 1.007828047e+01 1.007828047e+01 2.10 8.823837772e+00 8.823837772e+00 2.12 7.662313067e+00 7.662313067e+00 2.14 6.586857616e+00 6.586857616e+00 2.16 5.591254611e+00 5.591254611e+00 2.18 4.669877417e+00 4.669877417e+00 2.20 3.817641415e+00 3.817641415e+00 2.22 3.029944222e+00 3.029944222e+00 2.24 2.302593332e+00 2.302593332e+00 2.26 1.631725912e+00 1.631725912e+00 2.28 1.013729750e+00 1.013729750e+00 2.30 4.451756120e-01 4.451756120e-01 2.32 -7.723041883e-02 -7.723041883e-02 2.34 -5.566697601e-01 -5.566697601e-01 2.36 -9.962093854e-01 -9.962093854e-01 2.38 -1.398780343e+00 -1.398780343e+00 2.40 -1.767146114e+00 -1.767146114e+00 2.42 -2.103841966e+00 -2.103841966e+00 2.44 -2.411105371e+00 -2.411105371e+00 2.46 -2.691206499e+00 -2.691206499e+00 2.48 -2.946194574e+00 -2.946194574e+00 2.50 -3.177883936e+00 -3.177883936e+00 2.52 -3.387891406e+00 -3.387891406e+00 2.54 -3.577659695e+00 -3.577659695e+00 2.56 -3.748365321e+00 -3.748365321e+00 2.58 -3.901061291e+00 -3.901061291e+00 2.60 -4.036729743e+00 -4.036729743e+00 2.62 -4.156346968e+00 -4.156346968e+00 2.64 -4.260865102e+00 -4.260865102e+00 2.66 -4.351192182e+00 -4.351192182e+00 2.68 -4.428175132e+00 -4.428175132e+00 2.70 -4.492589098e+00 -4.492589098e+00 2.72 -4.545054769e+00 -4.545054769e+00 2.74 -4.586004176e+00 -4.586004176e+00 2.76 -4.615851577e+00 -4.615851577e+00 2.78 -4.635015734e+00 -4.635015734e+00 2.80 -4.643924458e+00 -4.643924458e+00 2.82 -4.643019720e+00 -4.643019720e+00 2.84 -4.632763261e+00 -4.632763261e+00 2.86 -4.613642610e+00 -4.613642610e+00 2.88 -4.586177040e+00 -4.586177040e+00 2.90 -4.550922415e+00 -4.550922415e+00 2.92 -4.508473527e+00 -4.508473527e+00 2.94 -4.459462433e+00 -4.459462433e+00 2.96 -4.404551718e+00 -4.404551718e+00 2.98 -4.344422335e+00 -4.344422335e+00 3.00 -4.279756663e+00 -4.279756663e+00 3.02 -4.211218354e+00 -4.211218354e+00 3.04 -4.139431283e+00 -4.139431283e+00 3.06 -4.064960182e+00 -4.064960182e+00 3.08 -3.988295466e+00 -3.988295466e+00 3.10 -3.909940140e+00 -3.909940140e+00 3.12 -3.830314754e+00 -3.830314754e+00 3.14 -3.749465757e+00 -3.749465757e+00 3.16 -3.667396159e+00 -3.667396159e+00 3.18 -3.584089111e+00 -3.584089111e+00 3.20 -3.499523395e+00 -3.499523395e+00 3.22 -3.413689588e+00 -3.413689588e+00 3.24 -3.326604884e+00 -3.326604884e+00 3.26 -3.238329956e+00 -3.238329956e+00 3.28 -3.148990262e+00 -3.148990262e+00 3.30 -3.058761414e+00 -3.058761414e+00 3.32 -2.967862344e+00 -2.967862344e+00 3.34 -2.876549175e+00 -2.876549175e+00 3.36 -2.785105730e+00 -2.785105730e+00 3.38 -2.693831954e+00 -2.693831954e+00 3.40 -2.603031576e+00 -2.603031576e+00 3.42 -2.513000118e+00 -2.513000118e+00 3.44 -2.424014142e+00 -2.424014142e+00 3.46 -2.336322233e+00 -2.336322233e+00 3.48 -2.250138009e+00 -2.250138009e+00 3.50 -2.165635261e+00 -2.165635261e+00 3.52 -2.082945266e+00 -2.082945266e+00 3.54 -2.002156287e+00 -2.002156287e+00 3.56 -1.923315250e+00 -1.923315250e+00 3.58 -1.846431526e+00 -1.846431526e+00 3.60 -1.771482631e+00 -1.771482631e+00 3.62 -1.698421545e+00 -1.698421545e+00 3.64 -1.627185199e+00 -1.627185199e+00 3.66 -1.557703600e+00 -1.557703600e+00 3.68 -1.489908973e+00 -1.489908973e+00 3.70 -1.423744286e+00 -1.423744286e+00 3.72 -1.359170553e+00 -1.359170553e+00 3.74 -1.296172321e+00 -1.296172321e+00 3.76 -1.234760921e+00 -1.234760921e+00 3.78 -1.174975159e+00 -1.174975159e+00 3.80 -1.116879372e+00 -1.116879372e+00 3.82 -1.060558972e+00 -1.060558972e+00 3.84 -1.006113910e+00 -1.006113910e+00 3.86 -9.536506626e-01 -9.536506626e-01 3.88 -9.032735525e-01 -9.032735525e-01 3.90 -8.550762607e-01 -8.550762607e-01 3.92 -8.091343353e-01 -8.091343353e-01 3.94 -7.654993551e-01 -7.654993551e-01 3.96 -7.241951515e-01 -7.241951515e-01 3.98 -6.852162445e-01 -6.852162445e-01 4.00 -6.485283697e-01 -6.485283697e-01 4.02 -6.140707860e-01 -6.140707860e-01 4.04 -5.817599224e-01 -5.817599224e-01 4.06 -5.514938767e-01 -5.514938767e-01 4.08 -5.231573029e-01 -5.231573029e-01 4.10 -4.966262900e-01 -4.966262900e-01 4.12 -4.717729489e-01 -4.717729489e-01 4.14 -4.484694645e-01 -4.484694645e-01 4.16 -4.265915550e-01 -4.265915550e-01 4.18 -4.060212435e-01 -4.060212435e-01 4.20 -3.866489578e-01 -3.866489578e-01 4.22 -3.683749736e-01 -3.683749736e-01 4.24 -3.511102337e-01 -3.511102337e-01 4.26 -3.347765808e-01 -3.347765808e-01 4.28 -3.193064481e-01 -3.193064481e-01 4.30 -3.046420643e-01 -3.046420643e-01 4.32 -2.907342528e-01 -2.907342528e-01 4.34 -2.775409288e-01 -2.775409288e-01 4.36 -2.650254258e-01 -2.650254258e-01 4.38 -2.531547965e-01 -2.531547965e-01 4.40 -2.418982360e-01 -2.418982360e-01 4.42 -2.312257527e-01 -2.312257527e-01 4.44 -2.211071710e-01 -2.211071710e-01 4.46 -2.115115055e-01 -2.115115055e-01 4.48 -2.024066991e-01 -2.024066991e-01 4.50 -1.937596648e-01 -1.937596648e-01 4.52 -1.855362319e-01 -1.855362319e-01 4.54 -1.777020036e-01 -1.777020036e-01 4.56 -1.702233365e-01 -1.702233365e-01 4.58 -1.630669611e-01 -1.630669611e-01 4.60 -1.562004832e-01 -1.562004832e-01 4.62 -1.495928020e-01 -1.495928020e-01 4.64 -1.432144345e-01 -1.432144345e-01 4.66 -1.370377619e-01 -1.370377619e-01 4.68 -1.310372200e-01 -1.310372200e-01 4.70 -1.251894549e-01 -1.251894549e-01 4.72 -1.194734669e-01 -1.194734669e-01 4.74 -1.138707581e-01 -1.138707581e-01 4.76 -1.083654964e-01 -1.083654964e-01 4.78 -1.029446989e-01 -1.029446989e-01 4.80 -9.759842974e-02 -9.759842974e-02 4.82 -9.232000830e-02 -9.232000830e-02 4.84 -8.710618800e-02 -8.710618800e-02 4.86 -8.195730368e-02 -8.195730368e-02 4.88 -7.687733521e-02 -7.687733521e-02 4.90 -7.187386022e-02 -7.187386022e-02 4.92 -6.695786230e-02 -6.695786230e-02 4.94 -6.214337014e-02 -6.214337014e-02 4.96 -5.744691705e-02 -5.744691705e-02 4.98 -5.288682840e-02 -5.288682840e-02 5.00 -4.848236618e-02 -4.848236618e-02 5.02 -4.425278012e-02 -4.425278012e-02 5.04 -4.021633144e-02 -4.021633144e-02 5.06 -3.638936398e-02 -3.638936398e-02 5.08 -3.278549639e-02 -3.278549639e-02 5.10 -2.941499653e-02 -2.941499653e-02 5.12 -2.628437993e-02 -2.628437993e-02 5.14 -2.339625247e-02 -2.339625247e-02 5.16 -2.074938560e-02 -2.074938560e-02 5.18 -1.833899498e-02 -1.833899498e-02 5.20 -1.615701202e-02 -1.615701202e-02 5.22 -1.419269947e-02 -1.419269947e-02 5.24 -1.243386128e-02 -1.243386128e-02 5.26 -1.086681425e-02 -1.086681425e-02 5.28 -9.476953450e-03 -9.476953450e-03 5.30 -8.249279274e-03 -8.249279274e-03 5.32 -7.168838584e-03 -7.168838584e-03 5.34 -6.221075189e-03 -6.221075189e-03 5.36 -5.392092589e-03 -5.392092589e-03 5.38 -4.668837097e-03 -4.668837097e-03 5.40 -4.039212377e-03 -4.039212377e-03 5.42 -3.492137561e-03 -3.492137561e-03 5.44 -3.017560978e-03 -3.017560978e-03 5.46 -2.606440517e-03 -2.606440517e-03 5.48 -2.250700222e-03 -2.250700222e-03 5.50 -1.943171120e-03 -1.943171120e-03 5.52 -1.677522646e-03 -1.677522646e-03 5.54 -1.448189633e-03 -1.448189633e-03 5.56 -1.250298478e-03 -1.250298478e-03 5.58 -1.079595131e-03 -1.079595131e-03 5.60 -9.323766189e-04 -9.323766189e-04 5.62 -8.054272226e-04 -8.054272226e-04 5.64 -6.959598730e-04 -6.959598730e-04 5.66 -6.015630026e-04 -6.015630026e-04 5.68 -5.201528123e-04 -5.201528123e-04 5.70 -4.499307460e-04 -4.499307460e-04 5.72 -3.893458571e-04 -3.893458571e-04 5.74 -3.370616852e-04 -3.370616852e-04 5.76 -2.919272376e-04 -2.919272376e-04 5.78 -2.529516631e-04 -2.529516631e-04 5.80 -2.192822195e-04 -2.192822195e-04 5.82 -1.901851575e-04 -1.901851575e-04 5.84 -1.650291715e-04 -1.650291715e-04 5.86 -1.432710996e-04 -1.432710996e-04 5.88 -1.244435853e-04 -1.244435853e-04 5.90 -1.081444456e-04 -1.081444456e-04 5.92 -9.402751868e-05 -9.402751868e-05 5.94 -8.179479127e-05 -8.179479127e-05 5.96 -7.118963125e-05 -7.118963125e-05 5.98 -6.199097334e-05 -6.199097334e-05 6.00 -5.400832506e-05 -5.400832506e-05