# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgAu2Pt # 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 2022-05-24 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 9.945961410e+02 9.945961410e+02 1.00 9.121939503e+02 9.121939503e+02 1.02 8.373783424e+02 8.373783424e+02 1.04 7.693851571e+02 7.693851571e+02 1.06 7.075325120e+02 7.075325120e+02 1.08 6.512120458e+02 6.512120458e+02 1.10 5.998811529e+02 5.998811529e+02 1.12 5.530528091e+02 5.530528091e+02 1.14 5.102912683e+02 5.102912683e+02 1.16 4.712069963e+02 4.712069963e+02 1.18 4.354492678e+02 4.354492678e+02 1.20 4.027027676e+02 4.027027676e+02 1.22 3.726843974e+02 3.726843974e+02 1.24 3.451387175e+02 3.451387175e+02 1.26 3.198359059e+02 3.198359059e+02 1.28 2.965692453e+02 2.965692453e+02 1.30 2.751532426e+02 2.751532426e+02 1.32 2.554205107e+02 2.554205107e+02 1.34 2.372199928e+02 2.372199928e+02 1.36 2.204149817e+02 2.204149817e+02 1.38 2.048829092e+02 2.048829092e+02 1.40 1.905125213e+02 1.905125213e+02 1.42 1.772042687e+02 1.772042687e+02 1.44 1.648675155e+02 1.648675155e+02 1.46 1.534204551e+02 1.534204551e+02 1.48 1.427887612e+02 1.427887612e+02 1.50 1.329055453e+02 1.329055453e+02 1.52 1.237101913e+02 1.237101913e+02 1.54 1.151471082e+02 1.151471082e+02 1.56 1.071666812e+02 1.071666812e+02 1.58 9.972379536e+01 9.972379536e+01 1.60 9.277692086e+01 9.277692086e+01 1.62 8.628850009e+01 8.628850009e+01 1.64 8.022380872e+01 8.022380872e+01 1.66 7.455191767e+01 7.455191767e+01 1.68 6.924440967e+01 6.924440967e+01 1.70 6.427515287e+01 6.427515287e+01 1.72 5.962013899e+01 5.962013899e+01 1.74 5.525746669e+01 5.525746669e+01 1.76 5.116696723e+01 5.116696723e+01 1.78 4.733021514e+01 4.733021514e+01 1.80 4.372997158e+01 4.372997158e+01 1.82 4.035041970e+01 4.035041970e+01 1.84 3.717703023e+01 3.717703023e+01 1.86 3.419620835e+01 3.419620835e+01 1.88 3.139555091e+01 3.139555091e+01 1.90 2.874968352e+01 2.874968352e+01 1.92 2.628079323e+01 2.628079323e+01 1.94 2.396821952e+01 2.396821952e+01 1.96 2.180296577e+01 2.180296577e+01 1.98 1.977647936e+01 1.977647936e+01 2.00 1.788093874e+01 1.788093874e+01 2.02 1.610893610e+01 1.610893610e+01 2.04 1.445349664e+01 1.445349664e+01 2.06 1.290789812e+01 1.290789812e+01 2.08 1.146588151e+01 1.146588151e+01 2.10 1.012189215e+01 1.012189215e+01 2.12 8.870468966e+00 8.870468966e+00 2.14 7.706315391e+00 7.706315391e+00 2.16 6.624438657e+00 6.624438657e+00 2.18 5.620153488e+00 5.620153488e+00 2.20 4.689084847e+00 4.689084847e+00 2.22 3.826842514e+00 3.826842514e+00 2.24 3.029614232e+00 3.029614232e+00 2.26 2.293719647e+00 2.293719647e+00 2.28 1.615584934e+00 1.615584934e+00 2.30 9.917998252e-01 9.917998252e-01 2.32 4.192712877e-01 4.192712877e-01 2.34 -1.050968360e-01 -1.050968360e-01 2.36 -5.843018640e-01 -5.843018640e-01 2.38 -1.021048004e+00 -1.021048004e+00 2.40 -1.418040851e+00 -1.418040851e+00 2.42 -1.777878618e+00 -1.777878618e+00 2.44 -2.102891116e+00 -2.102891116e+00 2.46 -2.395098460e+00 -2.395098460e+00 2.48 -2.656868998e+00 -2.656868998e+00 2.50 -2.890249669e+00 -2.890249669e+00 2.52 -3.097183222e+00 -3.097183222e+00 2.54 -3.279510646e+00 -3.279510646e+00 2.56 -3.438975007e+00 -3.438975007e+00 2.58 -3.577208610e+00 -3.577208610e+00 2.60 -3.695552081e+00 -3.695552081e+00 2.62 -3.795712227e+00 -3.795712227e+00 2.64 -3.879078648e+00 -3.879078648e+00 2.66 -3.947012409e+00 -3.947012409e+00 2.68 -4.000726981e+00 -4.000726981e+00 2.70 -4.041303389e+00 -4.041303389e+00 2.72 -4.069737694e+00 -4.069737694e+00 2.74 -4.087070530e+00 -4.087070530e+00 2.76 -4.094349470e+00 -4.094349470e+00 2.78 -4.092750359e+00 -4.092750359e+00 2.80 -4.083125495e+00 -4.083125495e+00 2.82 -4.065949068e+00 -4.065949068e+00 2.84 -4.041938792e+00 -4.041938792e+00 2.86 -4.011763295e+00 -4.011763295e+00 2.88 -3.976044353e+00 -3.976044353e+00 2.90 -3.935413396e+00 -3.935413396e+00 2.92 -3.890943154e+00 -3.890943154e+00 2.94 -3.842493202e+00 -3.842493202e+00 2.96 -3.790536186e+00 -3.790536186e+00 2.98 -3.735139522e+00 -3.735139522e+00 3.00 -3.676634077e+00 -3.676634077e+00 3.02 -3.615867821e+00 -3.615867821e+00 3.04 -3.553149271e+00 -3.553149271e+00 3.06 -3.488786502e+00 -3.488786502e+00 3.08 -3.423057588e+00 -3.423057588e+00 3.10 -3.356206672e+00 -3.356206672e+00 3.12 -3.287913907e+00 -3.287913907e+00 3.14 -3.218983778e+00 -3.218983778e+00 3.16 -3.149606995e+00 -3.149606995e+00 3.18 -3.079929581e+00 -3.079929581e+00 3.20 -3.010168672e+00 -3.010168672e+00 3.22 -2.940484590e+00 -2.940484590e+00 3.24 -2.871002753e+00 -2.871002753e+00 3.26 -2.802169434e+00 -2.802169434e+00 3.28 -2.733863849e+00 -2.733863849e+00 3.30 -2.666071492e+00 -2.666071492e+00 3.32 -2.598881187e+00 -2.598881187e+00 3.34 -2.532372830e+00 -2.532372830e+00 3.36 -2.466617423e+00 -2.466617423e+00 3.38 -2.401678030e+00 -2.401678030e+00 3.40 -2.337638452e+00 -2.337638452e+00 3.42 -2.274898809e+00 -2.274898809e+00 3.44 -2.213101732e+00 -2.213101732e+00 3.46 -2.152285534e+00 -2.152285534e+00 3.48 -2.092482266e+00 -2.092482266e+00 3.50 -2.033720322e+00 -2.033720322e+00 3.52 -1.976021035e+00 -1.976021035e+00 3.54 -1.919405905e+00 -1.919405905e+00 3.56 -1.863889444e+00 -1.863889444e+00 3.58 -1.809480289e+00 -1.809480289e+00 3.60 -1.756190649e+00 -1.756190649e+00 3.62 -1.704023881e+00 -1.704023881e+00 3.64 -1.652927470e+00 -1.652927470e+00 3.66 -1.602855822e+00 -1.602855822e+00 3.68 -1.553842674e+00 -1.553842674e+00 3.70 -1.505951687e+00 -1.505951687e+00 3.72 -1.459196522e+00 -1.459196522e+00 3.74 -1.413535596e+00 -1.413535596e+00 3.76 -1.368926452e+00 -1.368926452e+00 3.78 -1.325351655e+00 -1.325351655e+00 3.80 -1.282824650e+00 -1.282824650e+00 3.82 -1.241353328e+00 -1.241353328e+00 3.84 -1.200941339e+00 -1.200941339e+00 3.86 -1.161559068e+00 -1.161559068e+00 3.88 -1.123194542e+00 -1.123194542e+00 3.90 -1.085831241e+00 -1.085831241e+00 3.92 -1.049461174e+00 -1.049461174e+00 3.94 -1.014090874e+00 -1.014090874e+00 3.96 -9.796032078e-01 -9.796032078e-01 3.98 -9.459763686e-01 -9.459763686e-01 4.00 -9.132180186e-01 -9.132180186e-01 4.02 -8.812865362e-01 -8.812865362e-01 4.04 -8.503050516e-01 -8.503050516e-01 4.06 -8.203799195e-01 -8.203799195e-01 4.08 -7.915853343e-01 -7.915853343e-01 4.10 -7.640618830e-01 -7.640618830e-01 4.12 -7.378031997e-01 -7.378031997e-01 4.14 -7.126345699e-01 -7.126345699e-01 4.16 -6.885063096e-01 -6.885063096e-01 4.18 -6.651184061e-01 -6.651184061e-01 4.20 -6.421818514e-01 -6.421818514e-01 4.22 -6.194919763e-01 -6.194919763e-01 4.24 -5.969111815e-01 -5.969111815e-01 4.26 -5.743546106e-01 -5.743546106e-01 4.28 -5.517783159e-01 -5.517783159e-01 4.30 -5.291695339e-01 -5.291695339e-01 4.32 -5.065353527e-01 -5.065353527e-01 4.34 -4.838441480e-01 -4.838441480e-01 4.36 -4.611843233e-01 -4.611843233e-01 4.38 -4.386624703e-01 -4.386624703e-01 4.40 -4.163257285e-01 -4.163257285e-01 4.42 -3.943330963e-01 -3.943330963e-01 4.44 -3.728288061e-01 -3.728288061e-01 4.46 -3.519221089e-01 -3.519221089e-01 4.48 -3.316934253e-01 -3.316934253e-01 4.50 -3.121995234e-01 -3.121995234e-01 4.52 -2.934778731e-01 -2.934778731e-01 4.54 -2.755502971e-01 -2.755502971e-01 4.56 -2.584259214e-01 -2.584259214e-01 4.58 -2.420949216e-01 -2.420949216e-01 4.60 -2.268067113e-01 -2.268067113e-01 4.62 -2.125229518e-01 -2.125229518e-01 4.64 -1.989629571e-01 -1.989629571e-01 4.66 -1.861125258e-01 -1.861125258e-01 4.68 -1.739464439e-01 -1.739464439e-01 4.70 -1.624380623e-01 -1.624380623e-01 4.72 -1.515598954e-01 -1.515598954e-01 4.74 -1.412840736e-01 -1.412840736e-01 4.76 -1.315827050e-01 -1.315827050e-01 4.78 -1.224281590e-01 -1.224281590e-01 4.80 -1.137808135e-01 -1.137808135e-01 4.82 -1.059960316e-01 -1.059960316e-01 4.84 -9.879941378e-02 -9.879941378e-02 4.86 -9.201131834e-02 -9.201131834e-02 4.88 -8.561017645e-02 -8.561017645e-02 4.90 -7.957527446e-02 -7.957527446e-02 4.92 -7.388677330e-02 -7.388677330e-02 4.94 -6.852571549e-02 -6.852571549e-02 4.96 -6.347402133e-02 -6.347402133e-02 4.98 -5.871447735e-02 -5.871447735e-02 5.00 -5.423071889e-02 -5.423071889e-02 5.02 -5.000720841e-02 -5.000720841e-02 5.04 -4.602921018e-02 -4.602921018e-02 5.06 -4.228276156e-02 -4.228276156e-02 5.08 -3.875464351e-02 -3.875464351e-02 5.10 -3.543234993e-02 -3.543234993e-02 5.12 -3.230405690e-02 -3.230405690e-02 5.14 -2.935859129e-02 -2.935859129e-02 5.16 -2.658539965e-02 -2.658539965e-02 5.18 -2.397451783e-02 -2.397451783e-02 5.20 -2.151654147e-02 -2.151654147e-02 5.22 -1.920259737e-02 -1.920259737e-02 5.24 -1.702431534e-02 -1.702431534e-02 5.26 -1.497378821e-02 -1.497378821e-02 5.28 -1.304443786e-02 -1.304443786e-02 5.30 -1.124804199e-02 -1.124804199e-02 5.32 -9.976940550e-03 -9.976940550e-03 5.34 -8.795764894e-03 -8.795764894e-03 5.36 -7.688870316e-03 -7.688870316e-03 5.38 -6.648699639e-03 -6.648699639e-03 5.40 -5.671307503e-03 -5.671307503e-03 5.42 -4.752977032e-03 -4.752977032e-03 5.44 -3.890206885e-03 -3.890206885e-03 5.46 -3.079699044e-03 -3.079699044e-03 5.48 -2.318347314e-03 -2.318347314e-03 5.50 -1.603226455e-03 -1.603226455e-03 5.52 -9.315817586e-04 -9.315817586e-04 5.54 -2.967695735e-04 -2.967695735e-04 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00