# 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 = AgTaTi2 # 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 3.151493936e+02 3.151493936e+02 1.30 2.921126546e+02 2.921126546e+02 1.32 2.707884550e+02 2.707884550e+02 1.34 2.510386812e+02 2.510386812e+02 1.36 2.327375707e+02 2.327375707e+02 1.38 2.157711656e+02 2.157711656e+02 1.40 2.000363107e+02 2.000363107e+02 1.42 1.854392914e+02 1.854392914e+02 1.44 1.718944392e+02 1.718944392e+02 1.46 1.593227772e+02 1.593227772e+02 1.48 1.476507156e+02 1.476507156e+02 1.50 1.368091565e+02 1.368091565e+02 1.52 1.267333101e+02 1.267333101e+02 1.54 1.173630958e+02 1.173630958e+02 1.56 1.086436992e+02 1.086436992e+02 1.58 1.005257916e+02 1.005257916e+02 1.60 9.296520283e+01 9.296520283e+01 1.62 8.592223813e+01 8.592223813e+01 1.64 7.936091899e+01 7.936091899e+01 1.66 7.324826882e+01 7.324826882e+01 1.68 6.755373099e+01 6.755373099e+01 1.70 6.224883523e+01 6.224883523e+01 1.72 5.730710376e+01 5.730710376e+01 1.74 5.270401683e+01 5.270401683e+01 1.76 4.841686673e+01 4.841686673e+01 1.78 4.442451559e+01 4.442451559e+01 1.80 4.070719000e+01 4.070719000e+01 1.82 3.724638496e+01 3.724638496e+01 1.84 3.402609973e+01 3.402609973e+01 1.86 3.103347906e+01 3.103347906e+01 1.88 2.825357004e+01 2.825357004e+01 1.90 2.567295762e+01 2.567295762e+01 1.92 2.327857357e+01 2.327857357e+01 1.94 2.105736335e+01 2.105736335e+01 1.96 1.899691927e+01 1.899691927e+01 1.98 1.708551191e+01 1.708551191e+01 2.00 1.531215004e+01 1.531215004e+01 2.02 1.366662916e+01 1.366662916e+01 2.04 1.213955348e+01 1.213955348e+01 2.06 1.072233816e+01 1.072233816e+01 2.08 9.407198334e+00 9.407198334e+00 2.10 8.187119091e+00 8.187119091e+00 2.12 7.055792703e+00 7.055792703e+00 2.14 6.007521360e+00 6.007521360e+00 2.16 5.037102199e+00 5.037102199e+00 2.18 4.139716865e+00 4.139716865e+00 2.20 3.310839945e+00 3.310839945e+00 2.22 2.546168632e+00 2.546168632e+00 2.24 1.841573452e+00 1.841573452e+00 2.26 1.193069820e+00 1.193069820e+00 2.28 5.968092851e-01 5.968092851e-01 2.30 4.908669539e-02 4.908669539e-02 2.32 -4.536448815e-01 -4.536448815e-01 2.34 -9.147539674e-01 -9.147539674e-01 2.36 -1.337409505e+00 -1.337409505e+00 2.38 -1.724561184e+00 -1.724561184e+00 2.40 -2.078926694e+00 -2.078926694e+00 2.42 -2.402989424e+00 -2.402989424e+00 2.44 -2.699006724e+00 -2.699006724e+00 2.46 -2.969027373e+00 -2.969027373e+00 2.48 -3.214914640e+00 -3.214914640e+00 2.50 -3.438371074e+00 -3.438371074e+00 2.52 -3.640954259e+00 -3.640954259e+00 2.54 -3.824012233e+00 -3.824012233e+00 2.56 -3.988942969e+00 -3.988942969e+00 2.58 -4.137083895e+00 -4.137083895e+00 2.60 -4.269661826e+00 -4.269661826e+00 2.62 -4.387805518e+00 -4.387805518e+00 2.64 -4.492555492e+00 -4.492555492e+00 2.66 -4.584870570e+00 -4.584870570e+00 2.68 -4.665633340e+00 -4.665633340e+00 2.70 -4.735593908e+00 -4.735593908e+00 2.72 -4.795311343e+00 -4.795311343e+00 2.74 -4.845310585e+00 -4.845310585e+00 2.76 -4.886104275e+00 -4.886104275e+00 2.78 -4.918247131e+00 -4.918247131e+00 2.80 -4.942255200e+00 -4.942255200e+00 2.82 -4.958505683e+00 -4.958505683e+00 2.84 -4.967381314e+00 -4.967381314e+00 2.86 -4.969269571e+00 -4.969269571e+00 2.88 -4.964561006e+00 -4.964561006e+00 2.90 -4.953648205e+00 -4.953648205e+00 2.92 -4.936925235e+00 -4.936925235e+00 2.94 -4.914786908e+00 -4.914786908e+00 2.96 -4.887556486e+00 -4.887556486e+00 2.98 -4.855451014e+00 -4.855451014e+00 3.00 -4.818722174e+00 -4.818722174e+00 3.02 -4.777663802e+00 -4.777663802e+00 3.04 -4.732599453e+00 -4.732599453e+00 3.06 -4.683865554e+00 -4.683865554e+00 3.08 -4.631791380e+00 -4.631791380e+00 3.10 -4.576681142e+00 -4.576681142e+00 3.12 -4.518842332e+00 -4.518842332e+00 3.14 -4.458582060e+00 -4.458582060e+00 3.16 -4.395951517e+00 -4.395951517e+00 3.18 -4.330979251e+00 -4.330979251e+00 3.20 -4.263699481e+00 -4.263699481e+00 3.22 -4.194161071e+00 -4.194161071e+00 3.24 -4.122435520e+00 -4.122435520e+00 3.26 -4.048624981e+00 -4.048624981e+00 3.28 -3.972876107e+00 -3.972876107e+00 3.30 -3.895369542e+00 -3.895369542e+00 3.32 -3.816310569e+00 -3.816310569e+00 3.34 -3.735923162e+00 -3.735923162e+00 3.36 -3.654441833e+00 -3.654441833e+00 3.38 -3.572102314e+00 -3.572102314e+00 3.40 -3.489132327e+00 -3.489132327e+00 3.42 -3.405743782e+00 -3.405743782e+00 3.44 -3.322127040e+00 -3.322127040e+00 3.46 -3.238448202e+00 -3.238448202e+00 3.48 -3.154848999e+00 -3.154848999e+00 3.50 -3.071448835e+00 -3.071448835e+00 3.52 -2.988348021e+00 -2.988348021e+00 3.54 -2.905631155e+00 -2.905631155e+00 3.56 -2.823369874e+00 -2.823369874e+00 3.58 -2.741624664e+00 -2.741624664e+00 3.60 -2.660446062e+00 -2.660446062e+00 3.62 -2.579875957e+00 -2.579875957e+00 3.64 -2.499949833e+00 -2.499949833e+00 3.66 -2.420700464e+00 -2.420700464e+00 3.68 -2.342163037e+00 -2.342163037e+00 3.70 -2.264381134e+00 -2.264381134e+00 3.72 -2.187412650e+00 -2.187412650e+00 3.74 -2.111334661e+00 -2.111334661e+00 3.76 -2.036246401e+00 -2.036246401e+00 3.78 -1.962269804e+00 -1.962269804e+00 3.80 -1.889547436e+00 -1.889547436e+00 3.82 -1.818237961e+00 -1.818237961e+00 3.84 -1.748509592e+00 -1.748509592e+00 3.86 -1.680532191e+00 -1.680532191e+00 3.88 -1.614468834e+00 -1.614468834e+00 3.90 -1.550467670e+00 -1.550467670e+00 3.92 -1.488654785e+00 -1.488654785e+00 3.94 -1.429128964e+00 -1.429128964e+00 3.96 -1.371957943e+00 -1.371957943e+00 3.98 -1.317177306e+00 -1.317177306e+00 4.00 -1.264791094e+00 -1.264791094e+00 4.02 -1.214774129e+00 -1.214774129e+00 4.04 -1.167075604e+00 -1.167075604e+00 4.06 -1.121623463e+00 -1.121623463e+00 4.08 -1.078329134e+00 -1.078329134e+00 4.10 -1.037092123e+00 -1.037092123e+00 4.12 -9.978050457e-01 -9.978050457e-01 4.14 -9.603566619e-01 -9.603566619e-01 4.16 -9.246359151e-01 -9.246359151e-01 4.18 -8.905345199e-01 -8.905345199e-01 4.20 -8.579491010e-01 -8.579491010e-01 4.22 -8.267827415e-01 -8.267827415e-01 4.24 -7.969459849e-01 -7.969459849e-01 4.26 -7.683573371e-01 -7.683573371e-01 4.28 -7.409433244e-01 -7.409433244e-01 4.30 -7.146381617e-01 -7.146381617e-01 4.32 -6.893830999e-01 -6.893830999e-01 4.34 -6.651255303e-01 -6.651255303e-01 4.36 -6.418179382e-01 -6.418179382e-01 4.38 -6.194168031e-01 -6.194168031e-01 4.40 -5.978815433e-01 -5.978815433e-01 4.42 -5.771735882e-01 -5.771735882e-01 4.44 -5.572556382e-01 -5.572556382e-01 4.46 -5.380911406e-01 -5.380911406e-01 4.48 -5.196439814e-01 -5.196439814e-01 4.50 -5.018783666e-01 -5.018783666e-01 4.52 -4.847588471e-01 -4.847588471e-01 4.54 -4.682504414e-01 -4.682504414e-01 4.56 -4.523188067e-01 -4.523188067e-01 4.58 -4.369304219e-01 -4.369304219e-01 4.60 -4.220527581e-01 -4.220527581e-01 4.62 -4.076544212e-01 -4.076544212e-01 4.64 -3.937052669e-01 -3.937052669e-01 4.66 -3.801764906e-01 -3.801764906e-01 4.68 -3.670407059e-01 -3.670407059e-01 4.70 -3.542720216e-01 -3.542720216e-01 4.72 -3.418461341e-01 -3.418461341e-01 4.74 -3.297404443e-01 -3.297404443e-01 4.76 -3.179342121e-01 -3.179342121e-01 4.78 -3.064087509e-01 -3.064087509e-01 4.80 -2.951475819e-01 -2.951475819e-01 4.82 -2.841370525e-01 -2.841370525e-01 4.84 -2.733660874e-01 -2.733660874e-01 4.86 -2.628268584e-01 -2.628268584e-01 4.88 -2.525149415e-01 -2.525149415e-01 4.90 -2.424294975e-01 -2.424294975e-01 4.92 -2.325733336e-01 -2.325733336e-01 4.94 -2.229527983e-01 -2.229527983e-01 4.96 -2.135774736e-01 -2.135774736e-01 4.98 -2.044596418e-01 -2.044596418e-01 5.00 -1.956135275e-01 -1.956135275e-01 5.02 -1.870543482e-01 -1.870543482e-01 5.04 -1.787972335e-01 -1.787972335e-01 5.06 -1.708561023e-01 -1.708561023e-01 5.08 -1.632425981e-01 -1.632425981e-01 5.10 -1.559651842e-01 -1.559651842e-01 5.12 -1.490284784e-01 -1.490284784e-01 5.14 -1.424328837e-01 -1.424328837e-01 5.16 -1.361745223e-01 -1.361745223e-01 5.18 -1.302454518e-01 -1.302454518e-01 5.20 -1.246337999e-01 -1.246337999e-01 5.22 -1.193248575e-01 -1.193248575e-01 5.24 -1.143020270e-01 -1.143020270e-01 5.26 -1.095469165e-01 -1.095469165e-01 5.28 -1.050400400e-01 -1.050400400e-01 5.30 -1.007614305e-01 -1.007614305e-01 5.32 -9.669114490e-02 -9.669114490e-02 5.34 -9.280965564e-02 -9.280965564e-02 5.36 -8.909813792e-02 -8.909813792e-02 5.38 -8.553866608e-02 -8.553866608e-02 5.40 -8.211433740e-02 -8.211433740e-02 5.42 -7.880934200e-02 -7.880934200e-02 5.44 -7.560899687e-02 -7.560899687e-02 5.46 -7.249976006e-02 -7.249976006e-02 5.48 -6.946923874e-02 -6.946923874e-02 5.50 -6.650620184e-02 -6.650620184e-02 5.52 -6.360060568e-02 -6.360060568e-02 5.54 -6.074363770e-02 -6.074363770e-02 5.56 -5.792778059e-02 -5.792778059e-02 5.58 -5.514689598e-02 -5.514689598e-02 5.60 -5.239632350e-02 -5.239632350e-02 5.62 -4.967298718e-02 -4.967298718e-02 5.64 -4.697549815e-02 -4.697549815e-02 5.66 -4.430423926e-02 -4.430423926e-02 5.68 -4.166141238e-02 -4.166141238e-02 5.70 -3.905103444e-02 -3.905103444e-02 5.72 -3.647886306e-02 -3.647886306e-02 5.74 -3.395223843e-02 -3.395223843e-02 5.76 -3.147983490e-02 -3.147983490e-02 5.78 -2.907132403e-02 -2.907132403e-02 5.80 -2.673696273e-02 -2.673696273e-02 5.82 -2.448712423e-02 -2.448712423e-02 5.84 -2.233180627e-02 -2.233180627e-02 5.86 -2.028015270e-02 -2.028015270e-02 5.88 -1.834002475e-02 -1.834002475e-02 5.90 -1.651765441e-02 -1.651765441e-02 5.92 -1.481729606e-02 -1.481729606e-02 5.94 -1.324106640e-02 -1.324106640e-02 5.96 -1.178952229e-02 -1.178952229e-02 5.98 -1.046129871e-02 -1.046129871e-02 6.00 -9.253274292e-03 -9.253274292e-03