# 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 = Al2PbTa # 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 2.419045995e+02 2.419045995e+02 1.30 2.259701634e+02 2.259701634e+02 1.32 2.111291315e+02 2.111291315e+02 1.34 1.972935931e+02 1.972935931e+02 1.36 1.843827469e+02 1.843827469e+02 1.38 1.723225864e+02 1.723225864e+02 1.40 1.610462657e+02 1.610462657e+02 1.42 1.504947565e+02 1.504947565e+02 1.44 1.406171555e+02 1.406171555e+02 1.46 1.313702429e+02 1.313702429e+02 1.48 1.227170077e+02 1.227170077e+02 1.50 1.146241098e+02 1.146241098e+02 1.52 1.070590782e+02 1.070590782e+02 1.54 9.998849044e+01 9.998849044e+01 1.56 9.337774559e+01 9.337774559e+01 1.58 8.719209315e+01 8.719209315e+01 1.60 8.139812196e+01 8.139812196e+01 1.62 7.596505722e+01 7.596505722e+01 1.64 7.086551204e+01 7.086551204e+01 1.66 6.607562462e+01 6.607562462e+01 1.68 6.157461709e+01 6.157461709e+01 1.70 5.734407240e+01 5.734407240e+01 1.72 5.337032745e+01 5.337032745e+01 1.74 4.963837109e+01 4.963837109e+01 1.76 4.613214967e+01 4.613214967e+01 1.78 4.284084559e+01 4.284084559e+01 1.80 3.975143709e+01 3.975143709e+01 1.82 3.685075224e+01 3.685075224e+01 1.84 3.412912427e+01 3.412912427e+01 1.86 3.157561253e+01 3.157561253e+01 1.88 2.918020841e+01 2.918020841e+01 1.90 2.693399072e+01 2.693399072e+01 1.92 2.482889388e+01 2.482889388e+01 1.94 2.285747297e+01 2.285747297e+01 1.96 2.101269548e+01 2.101269548e+01 1.98 1.928777411e+01 1.928777411e+01 2.00 1.767603594e+01 1.767603594e+01 2.02 1.617083916e+01 1.617083916e+01 2.04 1.476555661e+01 1.476555661e+01 2.06 1.345363740e+01 1.345363740e+01 2.08 1.222872300e+01 1.222872300e+01 2.10 1.108477470e+01 1.108477470e+01 2.12 1.001616933e+01 1.001616933e+01 2.14 9.017745667e+00 9.017745667e+00 2.16 8.084806225e+00 8.084806225e+00 2.18 7.213090025e+00 7.213090025e+00 2.20 6.398727766e+00 6.398727766e+00 2.22 5.638192364e+00 5.638192364e+00 2.24 4.928243982e+00 4.928243982e+00 2.26 4.265873429e+00 4.265873429e+00 2.28 3.648245141e+00 3.648245141e+00 2.30 3.072653554e+00 3.072653554e+00 2.32 2.536488420e+00 2.536488420e+00 2.34 2.037226527e+00 2.037226527e+00 2.36 1.572439201e+00 1.572439201e+00 2.38 1.139816666e+00 1.139816666e+00 2.40 7.371971693e-01 7.371971693e-01 2.42 3.626689283e-01 3.626689283e-01 2.44 1.443734978e-02 1.443734978e-02 2.46 -3.092655214e-01 -3.092655214e-01 2.48 -6.100159297e-01 -6.100159297e-01 2.50 -8.892324209e-01 -8.892324209e-01 2.52 -1.148213847e+00 -1.148213847e+00 2.54 -1.388175671e+00 -1.388175671e+00 2.56 -1.610270287e+00 -1.610270287e+00 2.58 -1.815461279e+00 -1.815461279e+00 2.60 -2.004627305e+00 -2.004627305e+00 2.62 -2.178702897e+00 -2.178702897e+00 2.64 -2.338656622e+00 -2.338656622e+00 2.66 -2.485451152e+00 -2.485451152e+00 2.68 -2.620003944e+00 -2.620003944e+00 2.70 -2.743153711e+00 -2.743153711e+00 2.72 -2.855642287e+00 -2.855642287e+00 2.74 -2.958112691e+00 -2.958112691e+00 2.76 -3.051119337e+00 -3.051119337e+00 2.78 -3.135144251e+00 -3.135144251e+00 2.80 -3.210614503e+00 -3.210614503e+00 2.82 -3.277916543e+00 -3.277916543e+00 2.84 -3.337408074e+00 -3.337408074e+00 2.86 -3.389426502e+00 -3.389426502e+00 2.88 -3.434295427e+00 -3.434295427e+00 2.90 -3.472330085e+00 -3.472330085e+00 2.92 -3.503842568e+00 -3.503842568e+00 2.94 -3.529665654e+00 -3.529665654e+00 2.96 -3.550910105e+00 -3.550910105e+00 2.98 -3.567520652e+00 -3.567520652e+00 3.00 -3.579479655e+00 -3.579479655e+00 3.02 -3.586835339e+00 -3.586835339e+00 3.04 -3.589695141e+00 -3.589695141e+00 3.06 -3.588220504e+00 -3.588220504e+00 3.08 -3.582609312e+00 -3.582609312e+00 3.10 -3.573085208e+00 -3.573085208e+00 3.12 -3.559887235e+00 -3.559887235e+00 3.14 -3.543270496e+00 -3.543270496e+00 3.16 -3.523469835e+00 -3.523469835e+00 3.18 -3.500692099e+00 -3.500692099e+00 3.20 -3.475115751e+00 -3.475115751e+00 3.22 -3.446894732e+00 -3.446894732e+00 3.24 -3.416164522e+00 -3.416164522e+00 3.26 -3.383048976e+00 -3.383048976e+00 3.28 -3.347666798e+00 -3.347666798e+00 3.30 -3.310145956e+00 -3.310145956e+00 3.32 -3.270651676e+00 -3.270651676e+00 3.34 -3.229259697e+00 -3.229259697e+00 3.36 -3.186050774e+00 -3.186050774e+00 3.38 -3.141127603e+00 -3.141127603e+00 3.40 -3.094609760e+00 -3.094609760e+00 3.42 -3.046627841e+00 -3.046627841e+00 3.44 -2.997312966e+00 -2.997312966e+00 3.46 -2.946780526e+00 -2.946780526e+00 3.48 -2.895139008e+00 -2.895139008e+00 3.50 -2.842491685e+00 -2.842491685e+00 3.52 -2.788932729e+00 -2.788932729e+00 3.54 -2.734545333e+00 -2.734545333e+00 3.56 -2.679401650e+00 -2.679401650e+00 3.58 -2.623564269e+00 -2.623564269e+00 3.60 -2.567088941e+00 -2.567088941e+00 3.62 -2.510028193e+00 -2.510028193e+00 3.64 -2.452435527e+00 -2.452435527e+00 3.66 -2.394369837e+00 -2.394369837e+00 3.68 -2.335899706e+00 -2.335899706e+00 3.70 -2.277107217e+00 -2.277107217e+00 3.72 -2.218090900e+00 -2.218090900e+00 3.74 -2.158967495e+00 -2.158967495e+00 3.76 -2.099872250e+00 -2.099872250e+00 3.78 -2.040957597e+00 -2.040957597e+00 3.80 -1.982390184e+00 -1.982390184e+00 3.82 -1.924346394e+00 -1.924346394e+00 3.84 -1.867006648e+00 -1.867006648e+00 3.86 -1.810548916e+00 -1.810548916e+00 3.88 -1.755141950e+00 -1.755141950e+00 3.90 -1.700938801e+00 -1.700938801e+00 3.92 -1.648070689e+00 -1.648070689e+00 3.94 -1.596644475e+00 -1.596644475e+00 3.96 -1.546736799e+00 -1.546736799e+00 3.98 -1.498394984e+00 -1.498394984e+00 4.00 -1.451636945e+00 -1.451636945e+00 4.02 -1.406453116e+00 -1.406453116e+00 4.04 -1.362809600e+00 -1.362809600e+00 4.06 -1.320652201e+00 -1.320652201e+00 4.08 -1.279911025e+00 -1.279911025e+00 4.10 -1.240504287e+00 -1.240504287e+00 4.12 -1.202347729e+00 -1.202347729e+00 4.14 -1.165352298e+00 -1.165352298e+00 4.16 -1.129433536e+00 -1.129433536e+00 4.18 -1.094514212e+00 -1.094514212e+00 4.20 -1.060527651e+00 -1.060527651e+00 4.22 -1.027420276e+00 -1.027420276e+00 4.24 -9.951532023e-01 -9.951532023e-01 4.26 -9.637027453e-01 -9.637027453e-01 4.28 -9.330597420e-01 -9.330597420e-01 4.30 -9.032276784e-01 -9.032276784e-01 4.32 -8.742197480e-01 -8.742197480e-01 4.34 -8.460550944e-01 -8.460550944e-01 4.36 -8.187546178e-01 -8.187546178e-01 4.38 -7.923367904e-01 -7.923367904e-01 4.40 -7.668139256e-01 -7.668139256e-01 4.42 -7.421892648e-01 -7.421892648e-01 4.44 -7.184551095e-01 -7.184551095e-01 4.46 -6.955920619e-01 -6.955920619e-01 4.48 -6.735692831e-01 -6.735692831e-01 4.50 -6.523455672e-01 -6.523455672e-01 4.52 -6.318709686e-01 -6.318709686e-01 4.54 -6.120887186e-01 -6.120887186e-01 4.56 -5.929372004e-01 -5.929372004e-01 4.58 -5.743518178e-01 -5.743518178e-01 4.60 -5.562666537e-01 -5.562666537e-01 4.62 -5.386158840e-01 -5.386158840e-01 4.64 -5.213349538e-01 -5.213349538e-01 4.66 -5.043615619e-01 -5.043615619e-01 4.68 -4.876365144e-01 -4.876365144e-01 4.70 -4.711045146e-01 -4.711045146e-01 4.72 -4.547149518e-01 -4.547149518e-01 4.74 -4.384227385e-01 -4.384227385e-01 4.76 -4.221892276e-01 -4.221892276e-01 4.78 -4.059832144e-01 -4.059832144e-01 4.80 -3.897812904e-01 -3.897812904e-01 4.82 -3.735718919e-01 -3.735718919e-01 4.84 -3.573516737e-01 -3.573516737e-01 4.86 -3.411295694e-01 -3.411295694e-01 4.88 -3.249264682e-01 -3.249264682e-01 4.90 -3.087752976e-01 -3.087752976e-01 4.92 -2.927205435e-01 -2.927205435e-01 4.94 -2.768171232e-01 -2.768171232e-01 4.96 -2.611285818e-01 -2.611285818e-01 4.98 -2.457246579e-01 -2.457246579e-01 5.00 -2.306783409e-01 -2.306783409e-01 5.02 -2.160626196e-01 -2.160626196e-01 5.04 -2.019471702e-01 -2.019471702e-01 5.06 -1.883952541e-01 -1.883952541e-01 5.08 -1.754610756e-01 -1.754610756e-01 5.10 -1.631877991e-01 -1.631877991e-01 5.12 -1.516063420e-01 -1.516063420e-01 5.14 -1.407349731e-01 -1.407349731e-01 5.16 -1.305796594e-01 -1.305796594e-01 5.18 -1.211350365e-01 -1.211350365e-01 5.20 -1.123858370e-01 -1.123858370e-01 5.22 -1.043085951e-01 -1.043085951e-01 5.24 -9.687345152e-02 -9.687345152e-02 5.26 -9.004593124e-02 -9.004593124e-02 5.28 -8.378857248e-02 -8.378857248e-02 5.30 -7.806232649e-02 -7.806232649e-02 5.32 -7.282772157e-02 -7.282772157e-02 5.34 -6.804577547e-02 -6.804577547e-02 5.36 -6.367867073e-02 -6.367867073e-02 5.38 -5.968967489e-02 -5.968967489e-02 5.40 -5.604467055e-02 -5.604467055e-02 5.42 -5.271198102e-02 -5.271198102e-02 5.44 -4.966190168e-02 -4.966190168e-02 5.46 -4.686664963e-02 -4.686664963e-02 5.48 -4.430082019e-02 -4.430082019e-02 5.50 -4.194109559e-02 -4.194109559e-02 5.52 -3.976609963e-02 -3.976609963e-02 5.54 -3.775632267e-02 -3.775632267e-02 5.56 -3.589402672e-02 -3.589402672e-02 5.58 -3.416313889e-02 -3.416313889e-02 5.60 -3.254913897e-02 -3.254913897e-02 5.62 -3.103894513e-02 -3.103894513e-02 5.64 -2.962079968e-02 -2.962079968e-02 5.66 -2.828416027e-02 -2.828416027e-02 5.68 -2.701959604e-02 -2.701959604e-02 5.70 -2.581869053e-02 -2.581869053e-02 5.72 -2.467395273e-02 -2.467395273e-02 5.74 -2.357873685e-02 -2.357873685e-02 5.76 -2.252717114e-02 -2.252717114e-02 5.78 -2.151409598e-02 -2.151409598e-02 5.80 -2.053501084e-02 -2.053501084e-02 5.82 -1.958602961e-02 -1.958602961e-02 5.84 -1.866384342e-02 -1.866384342e-02 5.86 -1.776568986e-02 -1.776568986e-02 5.88 -1.688932713e-02 -1.688932713e-02 5.90 -1.603301143e-02 -1.603301143e-02 5.92 -1.519547584e-02 -1.519547584e-02 5.94 -1.437589136e-02 -1.437589136e-02 5.96 -1.357378059e-02 -1.357378059e-02 5.98 -1.278917273e-02 -1.278917273e-02 6.00 -1.202248261e-02 -1.202248261e-02