# 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 = AuCu2Pt # 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 6.118689387e+02 6.118689387e+02 1.00 5.561256860e+02 5.561256860e+02 1.02 5.056553542e+02 5.056553542e+02 1.04 4.599493082e+02 4.599493082e+02 1.06 4.185476384e+02 4.185476384e+02 1.08 3.810438547e+02 3.810438547e+02 1.10 3.470684083e+02 3.470684083e+02 1.12 3.162855607e+02 3.162855607e+02 1.14 2.883910646e+02 2.883910646e+02 1.16 2.631025725e+02 2.631025725e+02 1.18 2.401748092e+02 2.401748092e+02 1.20 2.193809492e+02 2.193809492e+02 1.22 2.005172583e+02 2.005172583e+02 1.24 1.833991218e+02 1.833991218e+02 1.26 1.678564626e+02 1.678564626e+02 1.28 1.537377753e+02 1.537377753e+02 1.30 1.409031256e+02 1.409031256e+02 1.32 1.292279781e+02 1.292279781e+02 1.34 1.186014488e+02 1.186014488e+02 1.36 1.089199143e+02 1.089199143e+02 1.38 1.000900232e+02 1.000900232e+02 1.40 9.203162924e+01 9.203162924e+01 1.42 8.466890164e+01 8.466890164e+01 1.44 7.793288473e+01 7.793288473e+01 1.46 7.176432733e+01 7.176432733e+01 1.48 6.610958545e+01 6.610958545e+01 1.50 6.091901272e+01 6.091901272e+01 1.52 5.614827368e+01 5.614827368e+01 1.54 5.175714277e+01 5.175714277e+01 1.56 4.771064953e+01 4.771064953e+01 1.58 4.397667997e+01 4.397667997e+01 1.60 4.052728450e+01 4.052728450e+01 1.62 3.733671768e+01 3.733671768e+01 1.64 3.438145954e+01 3.438145954e+01 1.66 3.164144587e+01 3.164144587e+01 1.68 2.909795926e+01 2.909795926e+01 1.70 2.673384268e+01 2.673384268e+01 1.72 2.453405871e+01 2.453405871e+01 1.74 2.248505900e+01 2.248505900e+01 1.76 2.057645637e+01 2.057645637e+01 1.78 1.879839961e+01 1.879839961e+01 1.80 1.714454152e+01 1.714454152e+01 1.82 1.560598709e+01 1.560598709e+01 1.84 1.417442743e+01 1.417442743e+01 1.86 1.284214074e+01 1.284214074e+01 1.88 1.157012824e+01 1.157012824e+01 1.90 1.039771189e+01 1.039771189e+01 1.92 9.287776961e+00 9.287776961e+00 1.94 8.236070593e+00 8.236070593e+00 1.96 7.242287654e+00 7.242287654e+00 1.98 6.304270129e+00 6.304270129e+00 2.00 5.419880449e+00 5.419880449e+00 2.02 4.587267151e+00 4.587267151e+00 2.04 3.804720746e+00 3.804720746e+00 2.06 3.070591027e+00 3.070591027e+00 2.08 2.383188563e+00 2.383188563e+00 2.10 1.740816956e+00 1.740816956e+00 2.12 1.141597729e+00 1.141597729e+00 2.14 5.840548391e-01 5.840548391e-01 2.16 6.623209057e-02 6.623209057e-02 2.18 -4.132426713e-01 -4.132426713e-01 2.20 -8.559494960e-01 -8.559494960e-01 2.22 -1.263591093e+00 -1.263591093e+00 2.24 -1.637666798e+00 -1.637666798e+00 2.26 -1.979684340e+00 -1.979684340e+00 2.28 -2.290132011e+00 -2.290132011e+00 2.30 -2.572179626e+00 -2.572179626e+00 2.32 -2.827383476e+00 -2.827383476e+00 2.34 -3.057150678e+00 -3.057150678e+00 2.36 -3.262820619e+00 -3.262820619e+00 2.38 -3.445887042e+00 -3.445887042e+00 2.40 -3.607701998e+00 -3.607701998e+00 2.42 -3.749603730e+00 -3.749603730e+00 2.44 -3.872828774e+00 -3.872828774e+00 2.46 -3.978582441e+00 -3.978582441e+00 2.48 -4.068128083e+00 -4.068128083e+00 2.50 -4.142286647e+00 -4.142286647e+00 2.52 -4.202004006e+00 -4.202004006e+00 2.54 -4.248512499e+00 -4.248512499e+00 2.56 -4.282893660e+00 -4.282893660e+00 2.58 -4.306022899e+00 -4.306022899e+00 2.60 -4.320443257e+00 -4.320443257e+00 2.62 -4.325835752e+00 -4.325835752e+00 2.64 -4.322406948e+00 -4.322406948e+00 2.66 -4.311001467e+00 -4.311001467e+00 2.68 -4.292330373e+00 -4.292330373e+00 2.70 -4.266982393e+00 -4.266982393e+00 2.72 -4.235565162e+00 -4.235565162e+00 2.74 -4.198650325e+00 -4.198650325e+00 2.76 -4.156772385e+00 -4.156772385e+00 2.78 -4.110650981e+00 -4.110650981e+00 2.80 -4.060716291e+00 -4.060716291e+00 2.82 -4.007203357e+00 -4.007203357e+00 2.84 -3.950530172e+00 -3.950530172e+00 2.86 -3.890532091e+00 -3.890532091e+00 2.88 -3.827086181e+00 -3.827086181e+00 2.90 -3.761698406e+00 -3.761698406e+00 2.92 -3.694450976e+00 -3.694450976e+00 2.94 -3.625273450e+00 -3.625273450e+00 2.96 -3.554972085e+00 -3.554972085e+00 2.98 -3.483757866e+00 -3.483757866e+00 3.00 -3.411850000e+00 -3.411850000e+00 3.02 -3.339456876e+00 -3.339456876e+00 3.04 -3.267025918e+00 -3.267025918e+00 3.06 -3.194695668e+00 -3.194695668e+00 3.08 -3.122349436e+00 -3.122349436e+00 3.10 -3.050129508e+00 -3.050129508e+00 3.12 -2.978163650e+00 -2.978163650e+00 3.14 -2.906567895e+00 -2.906567895e+00 3.16 -2.835446973e+00 -2.835446973e+00 3.18 -2.764895280e+00 -2.764895280e+00 3.20 -2.694997619e+00 -2.694997619e+00 3.22 -2.625829898e+00 -2.625829898e+00 3.24 -2.557453313e+00 -2.557453313e+00 3.26 -2.490265895e+00 -2.490265895e+00 3.28 -2.424081586e+00 -2.424081586e+00 3.30 -2.358830030e+00 -2.358830030e+00 3.32 -2.294553008e+00 -2.294553008e+00 3.34 -2.231286992e+00 -2.231286992e+00 3.36 -2.169063062e+00 -2.169063062e+00 3.38 -2.107908242e+00 -2.107908242e+00 3.40 -2.047854968e+00 -2.047854968e+00 3.42 -1.989079794e+00 -1.989079794e+00 3.44 -1.931437641e+00 -1.931437641e+00 3.46 -1.874891021e+00 -1.874891021e+00 3.48 -1.819407485e+00 -1.819407485e+00 3.50 -1.764907005e+00 -1.764907005e+00 3.52 -1.711311145e+00 -1.711311145e+00 3.54 -1.658766794e+00 -1.658766794e+00 3.56 -1.607405368e+00 -1.607405368e+00 3.58 -1.557157758e+00 -1.557157758e+00 3.60 -1.507951616e+00 -1.507951616e+00 3.62 -1.459817348e+00 -1.459817348e+00 3.64 -1.412813869e+00 -1.412813869e+00 3.66 -1.366970965e+00 -1.366970965e+00 3.68 -1.322251501e+00 -1.322251501e+00 3.70 -1.278621027e+00 -1.278621027e+00 3.72 -1.236053543e+00 -1.236053543e+00 3.74 -1.194526165e+00 -1.194526165e+00 3.76 -1.154035467e+00 -1.154035467e+00 3.78 -1.114581869e+00 -1.114581869e+00 3.80 -1.076158112e+00 -1.076158112e+00 3.82 -1.038731987e+00 -1.038731987e+00 3.84 -1.002282466e+00 -1.002282466e+00 3.86 -9.668068856e-01 -9.668068856e-01 3.88 -9.322941443e-01 -9.322941443e-01 3.90 -8.987265424e-01 -8.987265424e-01 3.92 -8.660469498e-01 -8.660469498e-01 3.94 -8.341637295e-01 -8.341637295e-01 3.96 -8.031354595e-01 -8.031354595e-01 3.98 -7.729932387e-01 -7.729932387e-01 4.00 -7.437020770e-01 -7.437020770e-01 4.02 -7.153162819e-01 -7.153162819e-01 4.04 -6.878841911e-01 -6.878841911e-01 4.06 -6.614674729e-01 -6.614674729e-01 4.08 -6.361623149e-01 -6.361623149e-01 4.10 -6.118083524e-01 -6.118083524e-01 4.12 -5.882610698e-01 -5.882610698e-01 4.14 -5.654628247e-01 -5.654628247e-01 4.16 -5.432227141e-01 -5.432227141e-01 4.18 -5.213737987e-01 -5.213737987e-01 4.20 -4.997984575e-01 -4.997984575e-01 4.22 -4.784183728e-01 -4.784183728e-01 4.24 -4.571861925e-01 -4.571861925e-01 4.26 -4.360783156e-01 -4.360783156e-01 4.28 -4.150528353e-01 -4.150528353e-01 4.30 -3.948495756e-01 -3.948495756e-01 4.32 -3.751158202e-01 -3.751158202e-01 4.34 -3.556205686e-01 -3.556205686e-01 4.36 -3.364354818e-01 -3.364354818e-01 4.38 -3.176160584e-01 -3.176160584e-01 4.40 -2.992564476e-01 -2.992564476e-01 4.42 -2.814287701e-01 -2.814287701e-01 4.44 -2.641858217e-01 -2.641858217e-01 4.46 -2.475644308e-01 -2.475644308e-01 4.48 -2.315883118e-01 -2.315883118e-01 4.50 -2.162704634e-01 -2.162704634e-01 4.52 -2.016151997e-01 -2.016151997e-01 4.54 -1.876198574e-01 -1.876198574e-01 4.56 -1.742761333e-01 -1.742761333e-01 4.58 -1.615633923e-01 -1.615633923e-01 4.60 -1.496959318e-01 -1.496959318e-01 4.62 -1.386308614e-01 -1.386308614e-01 4.64 -1.281155606e-01 -1.281155606e-01 4.66 -1.181377221e-01 -1.181377221e-01 4.68 -1.086763730e-01 -1.086763730e-01 4.70 -9.971012672e-02 -9.971012672e-02 4.72 -9.121748934e-02 -9.121748934e-02 4.74 -8.317707953e-02 -8.317707953e-02 4.76 -7.556780531e-02 -7.556780531e-02 4.78 -6.836899656e-02 -6.836899656e-02 4.80 -6.155582325e-02 -6.155582325e-02 4.82 -5.525199149e-02 -5.525199149e-02 4.84 -4.934451033e-02 -4.934451033e-02 4.86 -4.375710124e-02 -4.375710124e-02 4.88 -3.847329375e-02 -3.847329375e-02 4.90 -3.347729633e-02 -3.347729633e-02 4.92 -2.875325178e-02 -2.875325178e-02 4.94 -2.419783580e-02 -2.419783580e-02 4.96 -2.117328863e-02 -2.117328863e-02 4.98 -1.956750011e-02 -1.956750011e-02 5.00 -1.797186943e-02 -1.797186943e-02 5.02 -1.646852087e-02 -1.646852087e-02 5.04 -1.505292662e-02 -1.505292662e-02 5.06 -1.372015005e-02 -1.372015005e-02 5.08 -1.246551131e-02 -1.246551131e-02 5.10 -1.128457731e-02 -1.128457731e-02 5.12 -1.017315155e-02 -1.017315155e-02 5.14 -9.127263707e-03 -9.127263707e-03 5.16 -8.143159266e-03 -8.143159266e-03 5.18 -7.217289342e-03 -7.217289342e-03 5.20 -6.346300725e-03 -6.346300725e-03 5.22 -5.527026224e-03 -5.527026224e-03 5.24 -4.756475091e-03 -4.756475091e-03 5.26 -4.031815183e-03 -4.031815183e-03 5.28 -3.350952828e-03 -3.350952828e-03 5.30 -2.723777527e-03 -2.723777527e-03 5.32 -2.410123320e-03 -2.410123320e-03 5.34 -2.124069386e-03 -2.124069386e-03 5.36 -1.857179419e-03 -1.857179419e-03 5.38 -1.606252461e-03 -1.606252461e-03 5.40 -1.370363835e-03 -1.370363835e-03 5.42 -1.148640593e-03 -1.148640593e-03 5.44 -9.402587178e-04 -9.402587178e-04 5.46 -7.444404734e-04 -7.444404734e-04 5.48 -5.604519152e-04 -5.604519152e-04 5.50 -3.876005235e-04 -3.876005235e-04 5.52 -2.252329286e-04 -2.252329286e-04 5.54 -7.175383578e-05 -7.175383578e-05 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 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