# 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 = Ag2PtTa # 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 3.628837221e+02 3.628837221e+02 1.30 3.377076138e+02 3.377076138e+02 1.32 3.142790715e+02 3.142790715e+02 1.34 2.924603885e+02 2.924603885e+02 1.36 2.721291002e+02 2.721291002e+02 1.38 2.531714459e+02 2.531714459e+02 1.40 2.354795394e+02 2.354795394e+02 1.42 2.189536899e+02 2.189536899e+02 1.44 2.035067029e+02 2.035067029e+02 1.46 1.890665813e+02 1.890665813e+02 1.48 1.755754034e+02 1.755754034e+02 1.50 1.629839698e+02 1.629839698e+02 1.52 1.512445000e+02 1.512445000e+02 1.54 1.403052959e+02 1.403052959e+02 1.56 1.301097792e+02 1.301097792e+02 1.58 1.205990883e+02 1.205990883e+02 1.60 1.117157051e+02 1.117157051e+02 1.62 1.034062490e+02 1.034062490e+02 1.64 9.562301857e+01 9.562301857e+01 1.66 8.832459028e+01 8.832459028e+01 1.68 8.147574036e+01 8.147574036e+01 1.70 7.504674721e+01 7.504674721e+01 1.72 6.901211547e+01 6.901211547e+01 1.74 6.334901317e+01 6.334901317e+01 1.76 5.803889480e+01 5.803889480e+01 1.78 5.306110709e+01 5.306110709e+01 1.80 4.841363166e+01 4.841363166e+01 1.82 4.411474218e+01 4.411474218e+01 1.84 4.014059579e+01 4.014059579e+01 1.86 3.646704425e+01 3.646704425e+01 1.88 3.307237943e+01 3.307237943e+01 1.90 2.993714469e+01 2.993714469e+01 1.92 2.704351564e+01 2.704351564e+01 1.94 2.437479675e+01 2.437479675e+01 1.96 2.191510438e+01 2.191510438e+01 1.98 1.964922519e+01 1.964922519e+01 2.00 1.756259273e+01 1.756259273e+01 2.02 1.564133129e+01 1.564133129e+01 2.04 1.387234390e+01 1.387234390e+01 2.06 1.224342569e+01 1.224342569e+01 2.08 1.074336238e+01 1.074336238e+01 2.10 9.361967708e+00 9.361967708e+00 2.12 8.090041014e+00 8.090041014e+00 2.14 6.919267358e+00 6.919267358e+00 2.16 5.842102781e+00 5.842102781e+00 2.18 4.851677362e+00 4.851677362e+00 2.20 3.941723734e+00 3.941723734e+00 2.22 3.106520251e+00 3.106520251e+00 2.24 2.340834770e+00 2.340834770e+00 2.26 1.639861952e+00 1.639861952e+00 2.28 9.991554507e-01 9.991554507e-01 2.30 4.145615566e-01 4.145615566e-01 2.32 -1.178380577e-01 -1.178380577e-01 2.34 -6.017682238e-01 -6.017682238e-01 2.36 -1.040783891e+00 -1.040783891e+00 2.38 -1.438276460e+00 -1.438276460e+00 2.40 -1.797467504e+00 -1.797467504e+00 2.42 -2.121342949e+00 -2.121342949e+00 2.44 -2.412678054e+00 -2.412678054e+00 2.46 -2.674288836e+00 -2.674288836e+00 2.48 -2.908765941e+00 -2.908765941e+00 2.50 -3.118480044e+00 -3.118480044e+00 2.52 -3.305610713e+00 -3.305610713e+00 2.54 -3.472467140e+00 -3.472467140e+00 2.56 -3.622014151e+00 -3.622014151e+00 2.58 -3.755497539e+00 -3.755497539e+00 2.60 -3.873905504e+00 -3.873905504e+00 2.62 -3.978201670e+00 -3.978201670e+00 2.64 -4.069295515e+00 -4.069295515e+00 2.66 -4.148024908e+00 -4.148024908e+00 2.68 -4.215148018e+00 -4.215148018e+00 2.70 -4.271342383e+00 -4.271342383e+00 2.72 -4.317209767e+00 -4.317209767e+00 2.74 -4.353285288e+00 -4.353285288e+00 2.76 -4.380048844e+00 -4.380048844e+00 2.78 -4.397936964e+00 -4.397936964e+00 2.80 -4.407353932e+00 -4.407353932e+00 2.82 -4.408682009e+00 -4.408682009e+00 2.84 -4.402291388e+00 -4.402291388e+00 2.86 -4.388550615e+00 -4.388550615e+00 2.88 -4.367837892e+00 -4.367837892e+00 2.90 -4.340552727e+00 -4.340552727e+00 2.92 -4.307126344e+00 -4.307126344e+00 2.94 -4.268028240e+00 -4.268028240e+00 2.96 -4.223766064e+00 -4.223766064e+00 2.98 -4.174876835e+00 -4.174876835e+00 3.00 -4.121909575e+00 -4.121909575e+00 3.02 -4.065402065e+00 -4.065402065e+00 3.04 -4.005856418e+00 -4.005856418e+00 3.06 -3.943718666e+00 -3.943718666e+00 3.08 -3.879366154e+00 -3.879366154e+00 3.10 -3.813114014e+00 -3.813114014e+00 3.12 -3.745352276e+00 -3.745352276e+00 3.14 -3.676202159e+00 -3.676202159e+00 3.16 -3.605681683e+00 -3.605681683e+00 3.18 -3.533814550e+00 -3.533814550e+00 3.20 -3.460643234e+00 -3.460643234e+00 3.22 -3.386240068e+00 -3.386240068e+00 3.24 -3.310715284e+00 -3.310715284e+00 3.26 -3.234291221e+00 -3.234291221e+00 3.28 -3.157403331e+00 -3.157403331e+00 3.30 -3.080500903e+00 -3.080500903e+00 3.32 -3.004006038e+00 -3.004006038e+00 3.34 -2.928293792e+00 -2.928293792e+00 3.36 -2.853677243e+00 -2.853677243e+00 3.38 -2.780399070e+00 -2.780399070e+00 3.40 -2.708627679e+00 -2.708627679e+00 3.42 -2.638458398e+00 -2.638458398e+00 3.44 -2.569919292e+00 -2.569919292e+00 3.46 -2.502980466e+00 -2.502980466e+00 3.48 -2.437565395e+00 -2.437565395e+00 3.50 -2.373562882e+00 -2.373562882e+00 3.52 -2.310838506e+00 -2.310838506e+00 3.54 -2.249244853e+00 -2.249244853e+00 3.56 -2.188630214e+00 -2.188630214e+00 3.58 -2.128845738e+00 -2.128845738e+00 3.60 -2.069751255e+00 -2.069751255e+00 3.62 -2.011220058e+00 -2.011220058e+00 3.64 -1.953142946e+00 -1.953142946e+00 3.66 -1.895431727e+00 -1.895431727e+00 3.68 -1.838022297e+00 -1.838022297e+00 3.70 -1.780877257e+00 -1.780877257e+00 3.72 -1.723987912e+00 -1.723987912e+00 3.74 -1.667375400e+00 -1.667375400e+00 3.76 -1.611090650e+00 -1.611090650e+00 3.78 -1.555212886e+00 -1.555212886e+00 3.80 -1.499846488e+00 -1.499846488e+00 3.82 -1.445116174e+00 -1.445116174e+00 3.84 -1.391160679e+00 -1.391160679e+00 3.86 -1.338125321e+00 -1.338125321e+00 3.88 -1.286154027e+00 -1.286154027e+00 3.90 -1.235381500e+00 -1.235381500e+00 3.92 -1.185926239e+00 -1.185926239e+00 3.94 -1.137885033e+00 -1.137885033e+00 3.96 -1.091329338e+00 -1.091329338e+00 3.98 -1.046303817e+00 -1.046303817e+00 4.00 -1.002826976e+00 -1.002826976e+00 4.02 -9.608937044e-01 -9.608937044e-01 4.04 -9.204793246e-01 -9.204793246e-01 4.06 -8.815446721e-01 -8.815446721e-01 4.08 -8.440416615e-01 -8.440416615e-01 4.10 -8.079188028e-01 -8.079188028e-01 4.12 -7.731261937e-01 -7.731261937e-01 4.14 -7.396194822e-01 -7.396194822e-01 4.16 -7.073625818e-01 -7.073625818e-01 4.18 -6.763288756e-01 -6.763288756e-01 4.20 -6.465009303e-01 -6.465009303e-01 4.22 -6.178688776e-01 -6.178688776e-01 4.24 -5.904277895e-01 -5.904277895e-01 4.26 -5.641744795e-01 -5.641744795e-01 4.28 -5.391042001e-01 -5.391042001e-01 4.30 -5.152076579e-01 -5.152076579e-01 4.32 -4.924686606e-01 -4.924686606e-01 4.34 -4.708625644e-01 -4.708625644e-01 4.36 -4.503555528e-01 -4.503555528e-01 4.38 -4.309046692e-01 -4.309046692e-01 4.40 -4.124584641e-01 -4.124584641e-01 4.42 -3.949580917e-01 -3.949580917e-01 4.44 -3.783387005e-01 -3.783387005e-01 4.46 -3.625309801e-01 -3.625309801e-01 4.48 -3.474627554e-01 -3.474627554e-01 4.50 -3.330605450e-01 -3.330605450e-01 4.52 -3.192510263e-01 -3.192510263e-01 4.54 -3.059623735e-01 -3.059623735e-01 4.56 -2.931254562e-01 -2.931254562e-01 4.58 -2.806749060e-01 -2.806749060e-01 4.60 -2.685500688e-01 -2.685500688e-01 4.62 -2.566958702e-01 -2.566958702e-01 4.64 -2.450636182e-01 -2.450636182e-01 4.66 -2.336117591e-01 -2.336117591e-01 4.68 -2.223065880e-01 -2.223065880e-01 4.70 -2.111228946e-01 -2.111228946e-01 4.72 -2.000445046e-01 -2.000445046e-01 4.74 -1.890646560e-01 -1.890646560e-01 4.76 -1.781861389e-01 -1.781861389e-01 4.78 -1.674211221e-01 -1.674211221e-01 4.80 -1.567906013e-01 -1.567906013e-01 4.82 -1.463234397e-01 -1.463234397e-01 4.84 -1.360549775e-01 -1.360549775e-01 4.86 -1.260252931e-01 -1.260252931e-01 4.88 -1.162771863e-01 -1.162771863e-01 4.90 -1.068540288e-01 -1.068540288e-01 4.92 -9.779763586e-02 -9.779763586e-02 4.94 -8.914631479e-02 -8.914631479e-02 4.96 -8.093322043e-02 -8.093322043e-02 4.98 -7.318511015e-02 -7.318511015e-02 5.00 -6.592154340e-02 -6.592154340e-02 5.02 -5.915451975e-02 -5.915451975e-02 5.04 -5.288852054e-02 -5.288852054e-02 5.06 -4.712089037e-02 -4.712089037e-02 5.08 -4.184247492e-02 -4.184247492e-02 5.10 -3.703844328e-02 -3.703844328e-02 5.12 -3.268923033e-02 -3.268923033e-02 5.14 -2.877150426e-02 -2.877150426e-02 5.16 -2.525907830e-02 -2.525907830e-02 5.18 -2.212348153e-02 -2.212348153e-02 5.20 -1.933616307e-02 -1.933616307e-02 5.22 -1.686837916e-02 -1.686837916e-02 5.24 -1.469107872e-02 -1.469107872e-02 5.26 -1.277610733e-02 -1.277610733e-02 5.28 -1.109663659e-02 -1.109663659e-02 5.30 -9.627447621e-03 -9.627447621e-03 5.32 -8.345113034e-03 -8.345113034e-03 5.34 -7.228093399e-03 -7.228093399e-03 5.36 -6.256763948e-03 -6.256763948e-03 5.38 -5.413386510e-03 -5.413386510e-03 5.40 -4.682040315e-03 -4.682040315e-03 5.42 -4.048523660e-03 -4.048523660e-03 5.44 -3.500236625e-03 -3.500236625e-03 5.46 -3.026053135e-03 -3.026053135e-03 5.48 -2.616188940e-03 -2.616188940e-03 5.50 -2.262070487e-03 -2.262070487e-03 5.52 -1.956208257e-03 -1.956208257e-03 5.54 -1.692077031e-03 -1.692077031e-03 5.56 -1.464004595e-03 -1.464004595e-03 5.58 -1.267069696e-03 -1.267069696e-03 5.60 -1.097009514e-03 -1.097009514e-03 5.62 -9.501365363e-04 -9.501365363e-04 5.64 -8.232644480e-04 -8.232644480e-04 5.66 -7.136424781e-04 -7.136424781e-04 5.68 -6.188975544e-04 -6.188975544e-04 5.70 -5.369835662e-04 -5.369835662e-04 5.72 -4.661370300e-04 -4.661370300e-04 5.74 -4.048384753e-04 -4.048384753e-04 5.76 -3.517789021e-04 -3.517789021e-04 5.78 -3.058307088e-04 -3.058307088e-04 5.80 -2.660225431e-04 -2.660225431e-04 5.82 -2.315175795e-04 -2.315175795e-04 5.84 -2.015947798e-04 -2.015947798e-04 5.86 -1.756327445e-04 -1.756327445e-04 5.88 -1.530958079e-04 -1.530958079e-04 5.90 -1.335220722e-04 -1.335220722e-04 5.92 -1.165131164e-04 -1.165131164e-04 5.94 -1.017251474e-04 -1.017251474e-04 5.96 -8.886139385e-05 -8.886139385e-05 5.98 -7.766556815e-05 -7.766556815e-05 6.00 -6.791624792e-05 -6.791624792e-05