# 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 = AgAl2Ta # 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 1.872588720e+02 1.872588720e+02 1.30 1.739910885e+02 1.739910885e+02 1.32 1.616847251e+02 1.616847251e+02 1.34 1.502627697e+02 1.502627697e+02 1.36 1.396542902e+02 1.396542902e+02 1.38 1.297951702e+02 1.297951702e+02 1.40 1.206278713e+02 1.206278713e+02 1.42 1.121003651e+02 1.121003651e+02 1.44 1.041647532e+02 1.041647532e+02 1.46 9.677620320e+01 9.677620320e+01 1.48 8.989269252e+01 8.989269252e+01 1.50 8.347542940e+01 8.347542940e+01 1.52 7.748923638e+01 7.748923638e+01 1.54 7.190238088e+01 7.190238088e+01 1.56 6.668600776e+01 6.668600776e+01 1.58 6.181360762e+01 6.181360762e+01 1.60 5.726070934e+01 5.726070934e+01 1.62 5.300470750e+01 5.300470750e+01 1.64 4.902470071e+01 4.902470071e+01 1.66 4.530133507e+01 4.530133507e+01 1.68 4.181816066e+01 4.181816066e+01 1.70 3.856257064e+01 3.856257064e+01 1.72 3.551922825e+01 3.551922825e+01 1.74 3.267402319e+01 3.267402319e+01 1.76 3.001486982e+01 3.001486982e+01 1.78 2.752963675e+01 2.752963675e+01 1.80 2.520871133e+01 2.520871133e+01 1.82 2.304328795e+01 2.304328795e+01 1.84 2.102333759e+01 2.102333759e+01 1.86 1.913966672e+01 1.913966672e+01 1.88 1.738381987e+01 1.738381987e+01 1.90 1.574794157e+01 1.574794157e+01 1.92 1.422463485e+01 1.422463485e+01 1.94 1.280684822e+01 1.280684822e+01 1.96 1.148781170e+01 1.148781170e+01 1.98 1.026102544e+01 1.026102544e+01 2.00 9.120287889e+00 9.120287889e+00 2.02 8.059741368e+00 8.059741368e+00 2.04 7.073910790e+00 7.073910790e+00 2.06 6.157717406e+00 6.157717406e+00 2.08 5.306464331e+00 5.306464331e+00 2.10 4.515805218e+00 4.515805218e+00 2.12 3.781710507e+00 3.781710507e+00 2.14 3.100439519e+00 3.100439519e+00 2.16 2.468520568e+00 2.468520568e+00 2.18 1.882737866e+00 1.882737866e+00 2.20 1.340121521e+00 1.340121521e+00 2.22 8.379343911e-01 8.379343911e-01 2.24 3.736500624e-01 3.736500624e-01 2.26 -5.507931371e-02 -5.507931371e-02 2.28 -4.504604976e-01 -4.504604976e-01 2.30 -8.145932769e-01 -8.145932769e-01 2.32 -1.149493053e+00 -1.149493053e+00 2.34 -1.457096864e+00 -1.457096864e+00 2.36 -1.739246781e+00 -1.739246781e+00 2.38 -1.997560081e+00 -1.997560081e+00 2.40 -2.233738822e+00 -2.233738822e+00 2.42 -2.449400871e+00 -2.449400871e+00 2.44 -2.645983065e+00 -2.645983065e+00 2.46 -2.824762899e+00 -2.824762899e+00 2.48 -2.986894529e+00 -2.986894529e+00 2.50 -3.133445512e+00 -3.133445512e+00 2.52 -3.265278499e+00 -3.265278499e+00 2.54 -3.383124068e+00 -3.383124068e+00 2.56 -3.487820283e+00 -3.487820283e+00 2.58 -3.580319928e+00 -3.580319928e+00 2.60 -3.661672475e+00 -3.661672475e+00 2.62 -3.732985012e+00 -3.732985012e+00 2.64 -3.795361525e+00 -3.795361525e+00 2.66 -3.849831487e+00 -3.849831487e+00 2.68 -3.897286757e+00 -3.897286757e+00 2.70 -3.938443679e+00 -3.938443679e+00 2.72 -3.973837373e+00 -3.973837373e+00 2.74 -4.003843451e+00 -4.003843451e+00 2.76 -4.028715284e+00 -4.028715284e+00 2.78 -4.048624429e+00 -4.048624429e+00 2.80 -4.063695621e+00 -4.063695621e+00 2.82 -4.074032570e+00 -4.074032570e+00 2.84 -4.079734671e+00 -4.079734671e+00 2.86 -4.080906565e+00 -4.080906565e+00 2.88 -4.078154485e+00 -4.078154485e+00 2.90 -4.072409232e+00 -4.072409232e+00 2.92 -4.063430880e+00 -4.063430880e+00 2.94 -4.051019057e+00 -4.051019057e+00 2.96 -4.035046151e+00 -4.035046151e+00 2.98 -4.015454055e+00 -4.015454055e+00 3.00 -3.992257253e+00 -3.992257253e+00 3.02 -3.965616416e+00 -3.965616416e+00 3.04 -3.935632100e+00 -3.935632100e+00 3.06 -3.902419963e+00 -3.902419963e+00 3.08 -3.866167445e+00 -3.866167445e+00 3.10 -3.827091805e+00 -3.827091805e+00 3.12 -3.785414853e+00 -3.785414853e+00 3.14 -3.741346207e+00 -3.741346207e+00 3.16 -3.695071994e+00 -3.695071994e+00 3.18 -3.646754322e+00 -3.646754322e+00 3.20 -3.596539031e+00 -3.596539031e+00 3.22 -3.544554971e+00 -3.544554971e+00 3.24 -3.490922835e+00 -3.490922835e+00 3.26 -3.435765386e+00 -3.435765386e+00 3.28 -3.379215532e+00 -3.379215532e+00 3.30 -3.321420968e+00 -3.321420968e+00 3.32 -3.262544860e+00 -3.262544860e+00 3.34 -3.202762783e+00 -3.202762783e+00 3.36 -3.142256702e+00 -3.142256702e+00 3.38 -3.081207159e+00 -3.081207159e+00 3.40 -3.019784991e+00 -3.019784991e+00 3.42 -2.958143844e+00 -2.958143844e+00 3.44 -2.896414361e+00 -2.896414361e+00 3.46 -2.834700660e+00 -2.834700660e+00 3.48 -2.773079169e+00 -2.773079169e+00 3.50 -2.711599614e+00 -2.711599614e+00 3.52 -2.650287749e+00 -2.650287749e+00 3.54 -2.589149305e+00 -2.589149305e+00 3.56 -2.528174715e+00 -2.528174715e+00 3.58 -2.467344225e+00 -2.467344225e+00 3.60 -2.406633131e+00 -2.406633131e+00 3.62 -2.346016962e+00 -2.346016962e+00 3.64 -2.285476489e+00 -2.285476489e+00 3.66 -2.225002441e+00 -2.225002441e+00 3.68 -2.164599820e+00 -2.164599820e+00 3.70 -2.104291610e+00 -2.104291610e+00 3.72 -2.044121683e+00 -2.044121683e+00 3.74 -1.984156617e+00 -1.984156617e+00 3.76 -1.924486193e+00 -1.924486193e+00 3.78 -1.865222324e+00 -1.865222324e+00 3.80 -1.806496322e+00 -1.806496322e+00 3.82 -1.748454525e+00 -1.748454525e+00 3.84 -1.691252494e+00 -1.691252494e+00 3.86 -1.635048169e+00 -1.635048169e+00 3.88 -1.579994524e+00 -1.579994524e+00 3.90 -1.526232334e+00 -1.526232334e+00 3.92 -1.473883669e+00 -1.473883669e+00 3.94 -1.423046677e+00 -1.423046677e+00 3.96 -1.373791945e+00 -1.373791945e+00 3.98 -1.326160752e+00 -1.326160752e+00 4.00 -1.280165110e+00 -1.280165110e+00 4.02 -1.235789467e+00 -1.235789467e+00 4.04 -1.192993780e+00 -1.192993780e+00 4.06 -1.151717623e+00 -1.151717623e+00 4.08 -1.111884975e+00 -1.111884975e+00 4.10 -1.073409362e+00 -1.073409362e+00 4.12 -1.036199193e+00 -1.036199193e+00 4.14 -1.000162742e+00 -1.000162742e+00 4.16 -9.652130358e-01 -9.652130358e-01 4.18 -9.312721209e-01 -9.312721209e-01 4.20 -8.982746673e-01 -8.982746673e-01 4.22 -8.661706983e-01 -8.661706983e-01 4.24 -8.349272450e-01 -8.349272450e-01 4.26 -8.045287485e-01 -8.045287485e-01 4.28 -7.749760924e-01 -7.749760924e-01 4.30 -7.462842565e-01 -7.462842565e-01 4.32 -7.184787294e-01 -7.184787294e-01 4.34 -6.915909807e-01 -6.915909807e-01 4.36 -6.656534379e-01 -6.656534379e-01 4.38 -6.406944970e-01 -6.406944970e-01 4.40 -6.167340948e-01 -6.167340948e-01 4.42 -5.937802806e-01 -5.937802806e-01 4.44 -5.718270608e-01 -5.718270608e-01 4.46 -5.508535956e-01 -5.508535956e-01 4.48 -5.308246405e-01 -5.308246405e-01 4.50 -5.116919873e-01 -5.116919873e-01 4.52 -4.933965860e-01 -4.933965860e-01 4.54 -4.758710194e-01 -4.758710194e-01 4.56 -4.590420471e-01 -4.590420471e-01 4.58 -4.428330061e-01 -4.428330061e-01 4.60 -4.271659377e-01 -4.271659377e-01 4.62 -4.119633894e-01 -4.119633894e-01 4.64 -3.971498945e-01 -3.971498945e-01 4.66 -3.826531816e-01 -3.826531816e-01 4.68 -3.684051823e-01 -3.684051823e-01 4.70 -3.543429168e-01 -3.543429168e-01 4.72 -3.404093320e-01 -3.404093320e-01 4.74 -3.265541511e-01 -3.265541511e-01 4.76 -3.127347729e-01 -3.127347729e-01 4.78 -2.989172343e-01 -2.989172343e-01 4.80 -2.850772041e-01 -2.850772041e-01 4.82 -2.712010298e-01 -2.712010298e-01 4.84 -2.572865734e-01 -2.572865734e-01 4.86 -2.433439747e-01 -2.433439747e-01 4.88 -2.293960182e-01 -2.293960182e-01 4.90 -2.154780553e-01 -2.154780553e-01 4.92 -2.016373498e-01 -2.016373498e-01 4.94 -1.879317672e-01 -1.879317672e-01 4.96 -1.744277783e-01 -1.744277783e-01 4.98 -1.611978458e-01 -1.611978458e-01 5.00 -1.483173192e-01 -1.483173192e-01 5.02 -1.358610390e-01 -1.358610390e-01 5.04 -1.238999112e-01 -1.238999112e-01 5.06 -1.124977225e-01 -1.124977225e-01 5.08 -1.017084011e-01 -1.017084011e-01 5.10 -9.157380078e-02 -9.157380078e-02 5.12 -8.212322237e-02 -8.212322237e-02 5.14 -7.337264501e-02 -7.337264501e-02 5.16 -6.532504089e-02 -6.532504089e-02 5.18 -5.797144412e-02 -5.797144412e-02 5.20 -5.129249613e-02 -5.129249613e-02 5.22 -4.526028234e-02 -4.526028234e-02 5.24 -3.984028095e-02 -3.984028095e-02 5.26 -3.499329217e-02 -3.499329217e-02 5.28 -3.067721956e-02 -3.067721956e-02 5.30 -2.684863453e-02 -2.684863453e-02 5.32 -2.346407354e-02 -2.346407354e-02 5.34 -2.048107542e-02 -2.048107542e-02 5.36 -1.785895850e-02 -1.785895850e-02 5.38 -1.555897634e-02 -1.555897634e-02 5.40 -1.354553917e-02 -1.354553917e-02 5.42 -1.178615539e-02 -1.178615539e-02 5.44 -1.025110828e-02 -1.025110828e-02 5.46 -8.913478339e-03 -8.913478339e-03 5.48 -7.749072684e-03 -7.749072684e-03 5.50 -6.736291944e-03 -6.736291944e-03 5.52 -5.855958292e-03 -5.855958292e-03 5.54 -5.091122393e-03 -5.091122393e-03 5.56 -4.426862270e-03 -4.426862270e-03 5.58 -3.850083295e-03 -3.850083295e-03 5.60 -3.349325479e-03 -3.349325479e-03 5.62 -2.914582021e-03 -2.914582021e-03 5.64 -2.537131379e-03 -2.537131379e-03 5.66 -2.209383902e-03 -2.209383902e-03 5.68 -1.924743245e-03 -1.924743245e-03 5.70 -1.677482188e-03 -1.677482188e-03 5.72 -1.462632126e-03 -1.462632126e-03 5.74 -1.275885275e-03 -1.275885275e-03 5.76 -1.113508521e-03 -1.113508521e-03 5.78 -9.722678327e-04 -9.722678327e-04 5.80 -8.493621326e-04 -8.493621326e-04 5.82 -7.423656035e-04 -7.423656035e-04 5.84 -6.491774604e-04 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