# 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 = AgAu2Fe # 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 3.037966084e+02 3.037966084e+02 1.30 2.805636338e+02 2.805636338e+02 1.32 2.591092892e+02 2.591092892e+02 1.34 2.392903601e+02 2.392903601e+02 1.36 2.209754081e+02 2.209754081e+02 1.38 2.040433087e+02 2.040433087e+02 1.40 1.883825024e+02 1.883825024e+02 1.42 1.738906009e+02 1.738906009e+02 1.44 1.604741636e+02 1.604741636e+02 1.46 1.480483172e+02 1.480483172e+02 1.48 1.365359865e+02 1.365359865e+02 1.50 1.258668956e+02 1.258668956e+02 1.52 1.159765907e+02 1.159765907e+02 1.54 1.068055637e+02 1.068055637e+02 1.56 9.829853638e+01 9.829853638e+01 1.58 9.040401779e+01 9.040401779e+01 1.60 8.307417513e+01 8.307417513e+01 1.62 7.626490651e+01 7.626490651e+01 1.64 6.993593897e+01 6.993593897e+01 1.66 6.405084046e+01 6.405084046e+01 1.68 5.857690740e+01 5.857690740e+01 1.70 5.349568958e+01 5.349568958e+01 1.72 4.880162075e+01 4.880162075e+01 1.74 4.446926466e+01 4.446926466e+01 1.76 4.047329385e+01 4.047329385e+01 1.78 3.678941839e+01 3.678941839e+01 1.80 3.339447676e+01 3.339447676e+01 1.82 3.026641241e+01 3.026641241e+01 1.84 2.738442606e+01 2.738442606e+01 1.86 2.472917562e+01 2.472917562e+01 1.88 2.228290105e+01 2.228290105e+01 1.90 2.002941463e+01 2.002941463e+01 1.92 1.795396365e+01 1.795396365e+01 1.94 1.604301442e+01 1.604301442e+01 1.96 1.428402570e+01 1.428402570e+01 1.98 1.266527815e+01 1.266527815e+01 2.00 1.117579652e+01 1.117579652e+01 2.02 9.805353191e+00 9.805353191e+00 2.04 8.544506010e+00 8.544506010e+00 2.06 7.384621190e+00 7.384621190e+00 2.08 6.317856365e+00 6.317856365e+00 2.10 5.337104940e+00 5.337104940e+00 2.12 4.435916724e+00 4.435916724e+00 2.14 3.608411362e+00 3.608411362e+00 2.16 2.849197157e+00 2.849197157e+00 2.18 2.153303144e+00 2.153303144e+00 2.20 1.516127899e+00 1.516127899e+00 2.22 9.334043311e-01 9.334043311e-01 2.24 4.011762423e-01 4.011762423e-01 2.26 -8.421900950e-02 -8.421900950e-02 2.28 -5.261664528e-01 -5.261664528e-01 2.30 -9.277905902e-01 -9.277905902e-01 2.32 -1.291974262e+00 -1.291974262e+00 2.34 -1.621378835e+00 -1.621378835e+00 2.36 -1.918464983e+00 -1.918464983e+00 2.38 -2.185513309e+00 -2.185513309e+00 2.40 -2.424644271e+00 -2.424644271e+00 2.42 -2.637837186e+00 -2.637837186e+00 2.44 -2.826948281e+00 -2.826948281e+00 2.46 -2.993727791e+00 -2.993727791e+00 2.48 -3.139835748e+00 -3.139835748e+00 2.50 -3.266855828e+00 -3.266855828e+00 2.52 -3.376306473e+00 -3.376306473e+00 2.54 -3.469648784e+00 -3.469648784e+00 2.56 -3.548290613e+00 -3.548290613e+00 2.58 -3.613585834e+00 -3.613585834e+00 2.60 -3.666861719e+00 -3.666861719e+00 2.62 -3.709491274e+00 -3.709491274e+00 2.64 -3.742425058e+00 -3.742425058e+00 2.66 -3.766497054e+00 -3.766497054e+00 2.68 -3.782465518e+00 -3.782465518e+00 2.70 -3.790999762e+00 -3.790999762e+00 2.72 -3.792671753e+00 -3.792671753e+00 2.74 -3.787975169e+00 -3.787975169e+00 2.76 -3.777334391e+00 -3.777334391e+00 2.78 -3.761114959e+00 -3.761114959e+00 2.80 -3.739663590e+00 -3.739663590e+00 2.82 -3.713427849e+00 -3.713427849e+00 2.84 -3.682627656e+00 -3.682627656e+00 2.86 -3.647360297e+00 -3.647360297e+00 2.88 -3.607710011e+00 -3.607710011e+00 2.90 -3.563817831e+00 -3.563817831e+00 2.92 -3.515875008e+00 -3.515875008e+00 2.94 -3.464114759e+00 -3.464114759e+00 2.96 -3.408812325e+00 -3.408812325e+00 2.98 -3.350278900e+00 -3.350278900e+00 3.00 -3.288848107e+00 -3.288848107e+00 3.02 -3.224872065e+00 -3.224872065e+00 3.04 -3.158716374e+00 -3.158716374e+00 3.06 -3.090752509e+00 -3.090752509e+00 3.08 -3.021347681e+00 -3.021347681e+00 3.10 -2.950853532e+00 -2.950853532e+00 3.12 -2.879595849e+00 -2.879595849e+00 3.14 -2.807867636e+00 -2.807867636e+00 3.16 -2.735926972e+00 -2.735926972e+00 3.18 -2.663999725e+00 -2.663999725e+00 3.20 -2.592285848e+00 -2.592285848e+00 3.22 -2.520967182e+00 -2.520967182e+00 3.24 -2.450214695e+00 -2.450214695e+00 3.26 -2.380193537e+00 -2.380193537e+00 3.28 -2.311065174e+00 -2.311065174e+00 3.30 -2.242986570e+00 -2.242986570e+00 3.32 -2.176107083e+00 -2.176107083e+00 3.34 -2.110564029e+00 -2.110564029e+00 3.36 -2.046478004e+00 -2.046478004e+00 3.38 -1.983948893e+00 -1.983948893e+00 3.40 -1.923053224e+00 -1.923053224e+00 3.42 -1.863843181e+00 -1.863843181e+00 3.44 -1.806347244e+00 -1.806347244e+00 3.46 -1.750572203e+00 -1.750572203e+00 3.48 -1.696506125e+00 -1.696506125e+00 3.50 -1.644121815e+00 -1.644121815e+00 3.52 -1.593380380e+00 -1.593380380e+00 3.54 -1.544234570e+00 -1.544234570e+00 3.56 -1.496631691e+00 -1.496631691e+00 3.58 -1.450515996e+00 -1.450515996e+00 3.60 -1.405830527e+00 -1.405830527e+00 3.62 -1.362518454e+00 -1.362518454e+00 3.64 -1.320523980e+00 -1.320523980e+00 3.66 -1.279792899e+00 -1.279792899e+00 3.68 -1.240272908e+00 -1.240272908e+00 3.70 -1.201913734e+00 -1.201913734e+00 3.72 -1.164667170e+00 -1.164667170e+00 3.74 -1.128487051e+00 -1.128487051e+00 3.76 -1.093329217e+00 -1.093329217e+00 3.78 -1.059151490e+00 -1.059151490e+00 3.80 -1.025913658e+00 -1.025913658e+00 3.82 -9.935774663e-01 -9.935774663e-01 3.84 -9.621066193e-01 -9.621066193e-01 3.86 -9.314667552e-01 -9.314667552e-01 3.88 -9.016253964e-01 -9.016253964e-01 3.90 -8.725518591e-01 -8.725518591e-01 3.92 -8.442171197e-01 -8.442171197e-01 3.94 -8.165936516e-01 -8.165936516e-01 3.96 -7.896552314e-01 -7.896552314e-01 3.98 -7.633767582e-01 -7.633767582e-01 4.00 -7.377340963e-01 -7.377340963e-01 4.02 -7.127039786e-01 -7.127039786e-01 4.04 -6.882639955e-01 -6.882639955e-01 4.06 -6.643926947e-01 -6.643926947e-01 4.08 -6.410698061e-01 -6.410698061e-01 4.10 -6.182765986e-01 -6.182765986e-01 4.12 -5.959963769e-01 -5.959963769e-01 4.14 -5.742150526e-01 -5.742150526e-01 4.16 -5.529218095e-01 -5.529218095e-01 4.18 -5.321097538e-01 -5.321097538e-01 4.20 -5.117764870e-01 -5.117764870e-01 4.22 -4.919245012e-01 -4.919245012e-01 4.24 -4.725612955e-01 -4.725612955e-01 4.26 -4.536991192e-01 -4.536991192e-01 4.28 -4.353542796e-01 -4.353542796e-01 4.30 -4.175459988e-01 -4.175459988e-01 4.32 -4.002948688e-01 -4.002948688e-01 4.34 -3.836210210e-01 -3.836210210e-01 4.36 -3.675421850e-01 -3.675421850e-01 4.38 -3.520718417e-01 -3.520718417e-01 4.40 -3.372176731e-01 -3.372176731e-01 4.42 -3.229804710e-01 -3.229804710e-01 4.44 -3.093535992e-01 -3.093535992e-01 4.46 -2.963230205e-01 -2.963230205e-01 4.48 -2.838678294e-01 -2.838678294e-01 4.50 -2.719611748e-01 -2.719611748e-01 4.52 -2.605714290e-01 -2.605714290e-01 4.54 -2.496634627e-01 -2.496634627e-01 4.56 -2.391999050e-01 -2.391999050e-01 4.58 -2.291423017e-01 -2.291423017e-01 4.60 -2.194521217e-01 -2.194521217e-01 4.62 -2.100915925e-01 -2.100915925e-01 4.64 -2.010243756e-01 -2.010243756e-01 4.66 -1.922161046e-01 -1.922161046e-01 4.68 -1.836348199e-01 -1.836348199e-01 4.70 -1.752513370e-01 -1.752513370e-01 4.72 -1.670395780e-01 -1.670395780e-01 4.74 -1.589768931e-01 -1.589768931e-01 4.76 -1.510443856e-01 -1.510443856e-01 4.78 -1.432272435e-01 -1.432272435e-01 4.80 -1.355150686e-01 -1.355150686e-01 4.82 -1.279021873e-01 -1.279021873e-01 4.84 -1.203878889e-01 -1.203878889e-01 4.86 -1.129765785e-01 -1.129765785e-01 4.88 -1.056777723e-01 -1.056777723e-01 4.90 -9.850589907e-02 -9.850589907e-02 4.92 -9.147986649e-02 -9.147986649e-02 4.94 -8.462237184e-02 -8.462237184e-02 4.96 -7.795895796e-02 -7.795895796e-02 4.98 -7.151684904e-02 -7.151684904e-02 5.00 -6.532362690e-02 -6.532362690e-02 5.02 -5.940583642e-02 -5.940583642e-02 5.04 -5.378762494e-02 -5.378762494e-02 5.06 -4.848952324e-02 -4.848952324e-02 5.08 -4.352736850e-02 -4.352736850e-02 5.10 -3.891160465e-02 -3.891160465e-02 5.12 -3.464744135e-02 -3.464744135e-02 5.14 -3.073447746e-02 -3.073447746e-02 5.16 -2.716700439e-02 -2.716700439e-02 5.18 -2.393458653e-02 -2.393458653e-02 5.20 -2.102277539e-02 -2.102277539e-02 5.22 -1.841349079e-02 -1.841349079e-02 5.24 -1.608718474e-02 -1.608718474e-02 5.26 -1.402300218e-02 -1.402300218e-02 5.28 -1.219926265e-02 -1.219926265e-02 5.30 -1.059416221e-02 -1.059416221e-02 5.32 -9.186336634e-03 -9.186336634e-03 5.34 -7.955288814e-03 -7.955288814e-03 5.36 -6.881691908e-03 -6.881691908e-03 5.38 -5.947584729e-03 -5.947584729e-03 5.40 -5.136477864e-03 -5.136477864e-03 5.42 -4.433389052e-03 -4.433389052e-03 5.44 -3.824824969e-03 -3.824824969e-03 5.46 -3.298724450e-03 -3.298724450e-03 5.48 -2.844375703e-03 -2.844375703e-03 5.50 -2.452317624e-03 -2.452317624e-03 5.52 -2.114233064e-03 -2.114233064e-03 5.54 -1.822839886e-03 -1.822839886e-03 5.56 -1.571784008e-03 -1.571784008e-03 5.58 -1.355537282e-03 -1.355537282e-03 5.60 -1.169302004e-03 -1.169302004e-03 5.62 -1.008923058e-03 -1.008923058e-03 5.64 -8.708081283e-04 -8.708081283e-04 5.66 -7.518559658e-04 -7.518559658e-04 5.68 -6.493924568e-04 -6.493924568e-04 5.70 -5.611140276e-04 -5.611140276e-04 5.72 -4.850378371e-04 -4.850378371e-04 5.74 -4.194581516e-04 -4.194581516e-04 5.76 -3.629082856e-04 -3.629082856e-04 5.78 -3.141275118e-04 -3.141275118e-04 5.80 -2.720323691e-04 -2.720323691e-04 5.82 -2.356918435e-04 -2.356918435e-04 5.84 -2.043059405e-04 -2.043059405e-04 5.86 -1.771872134e-04 -1.771872134e-04 5.88 -1.537448631e-04 -1.537448631e-04 5.90 -1.334710638e-04 -1.334710638e-04 5.92 -1.159292139e-04 -1.159292139e-04 5.94 -1.007438484e-04 -1.007438484e-04 5.96 -8.759198073e-05 -8.759198073e-05 5.98 -7.619567565e-05 -7.619567565e-05 6.00 -6.631567935e-05 -6.631567935e-05