# 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 = AgTiZr2 # 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 3.536756956e+02 3.536756956e+02 1.30 3.288113974e+02 3.288113974e+02 1.32 3.057477433e+02 3.057477433e+02 1.34 2.843420506e+02 2.843420506e+02 1.36 2.644637086e+02 2.644637086e+02 1.38 2.459942765e+02 2.459942765e+02 1.40 2.288265144e+02 2.288265144e+02 1.42 2.128623495e+02 2.128623495e+02 1.44 1.980111327e+02 1.980111327e+02 1.46 1.841891119e+02 1.841891119e+02 1.48 1.713196222e+02 1.713196222e+02 1.50 1.593328991e+02 1.593328991e+02 1.52 1.481652304e+02 1.481652304e+02 1.54 1.377578604e+02 1.377578604e+02 1.56 1.280563247e+02 1.280563247e+02 1.58 1.190103328e+02 1.190103328e+02 1.60 1.105736929e+02 1.105736929e+02 1.62 1.027039170e+02 1.027039170e+02 1.64 9.536166008e+01 9.536166008e+01 1.66 8.851021605e+01 8.851021605e+01 1.68 8.211522422e+01 8.211522422e+01 1.70 7.614468567e+01 7.614468567e+01 1.72 7.056902317e+01 7.056902317e+01 1.74 6.536108464e+01 6.536108464e+01 1.76 6.049596039e+01 6.049596039e+01 1.78 5.595071203e+01 5.595071203e+01 1.80 5.170405594e+01 5.170405594e+01 1.82 4.773612844e+01 4.773612844e+01 1.84 4.402824320e+01 4.402824320e+01 1.86 4.056286074e+01 4.056286074e+01 1.88 3.732363151e+01 3.732363151e+01 1.90 3.429547572e+01 3.429547572e+01 1.92 3.146455677e+01 3.146455677e+01 1.94 2.881830821e+01 2.881830821e+01 1.96 2.634583726e+01 2.634583726e+01 1.98 2.403635290e+01 2.403635290e+01 2.00 2.187981973e+01 2.187981973e+01 2.02 1.986753083e+01 1.986753083e+01 2.04 1.799082249e+01 1.799082249e+01 2.06 1.624113482e+01 1.624113482e+01 2.08 1.461030177e+01 1.461030177e+01 2.10 1.309053350e+01 1.309053350e+01 2.12 1.167444431e+01 1.167444431e+01 2.14 1.035509599e+01 1.035509599e+01 2.16 9.126049063e+00 9.126049063e+00 2.18 7.981365895e+00 7.981365895e+00 2.20 6.915584172e+00 6.915584172e+00 2.22 5.923638019e+00 5.923638019e+00 2.24 5.000794285e+00 5.000794285e+00 2.26 4.142619245e+00 4.142619245e+00 2.28 3.344960975e+00 3.344960975e+00 2.30 2.603983899e+00 2.603983899e+00 2.32 1.916133508e+00 1.916133508e+00 2.34 1.278150932e+00 1.278150932e+00 2.36 6.870139595e-01 6.870139595e-01 2.38 1.398987446e-01 1.398987446e-01 2.40 -3.658645914e-01 -3.658645914e-01 2.42 -8.328379746e-01 -8.328379746e-01 2.44 -1.263496542e+00 -1.263496542e+00 2.46 -1.660248292e+00 -1.660248292e+00 2.48 -2.025427351e+00 -2.025427351e+00 2.50 -2.361274134e+00 -2.361274134e+00 2.52 -2.669908276e+00 -2.669908276e+00 2.54 -2.953302888e+00 -2.953302888e+00 2.56 -3.213267016e+00 -3.213267016e+00 2.58 -3.451440770e+00 -3.451440770e+00 2.60 -3.669304086e+00 -3.669304086e+00 2.62 -3.868192745e+00 -3.868192745e+00 2.64 -4.049335219e+00 -4.049335219e+00 2.66 -4.213852740e+00 -4.213852740e+00 2.68 -4.362792493e+00 -4.362792493e+00 2.70 -4.497135833e+00 -4.497135833e+00 2.72 -4.617806923e+00 -4.617806923e+00 2.74 -4.725677955e+00 -4.725677955e+00 2.76 -4.821638344e+00 -4.821638344e+00 2.78 -4.906499541e+00 -4.906499541e+00 2.80 -4.980874162e+00 -4.980874162e+00 2.82 -5.045342368e+00 -5.045342368e+00 2.84 -5.100464420e+00 -5.100464420e+00 2.86 -5.146776892e+00 -5.146776892e+00 2.88 -5.184794571e+00 -5.184794571e+00 2.90 -5.215013364e+00 -5.215013364e+00 2.92 -5.237909778e+00 -5.237909778e+00 2.94 -5.253811868e+00 -5.253811868e+00 2.96 -5.262898740e+00 -5.262898740e+00 2.98 -5.265386962e+00 -5.265386962e+00 3.00 -5.261557062e+00 -5.261557062e+00 3.02 -5.251724825e+00 -5.251724825e+00 3.04 -5.236177081e+00 -5.236177081e+00 3.06 -5.215237896e+00 -5.215237896e+00 3.08 -5.189234033e+00 -5.189234033e+00 3.10 -5.158502972e+00 -5.158502972e+00 3.12 -5.123377296e+00 -5.123377296e+00 3.14 -5.084193263e+00 -5.084193263e+00 3.16 -5.041267836e+00 -5.041267836e+00 3.18 -4.994913191e+00 -4.994913191e+00 3.20 -4.945403429e+00 -4.945403429e+00 3.22 -4.892961381e+00 -4.892961381e+00 3.24 -4.837812170e+00 -4.837812170e+00 3.26 -4.780188620e+00 -4.780188620e+00 3.28 -4.720331224e+00 -4.720331224e+00 3.30 -4.658486807e+00 -4.658486807e+00 3.32 -4.594904813e+00 -4.594904813e+00 3.34 -4.529830979e+00 -4.529830979e+00 3.36 -4.463499466e+00 -4.463499466e+00 3.38 -4.396160784e+00 -4.396160784e+00 3.40 -4.328047687e+00 -4.328047687e+00 3.42 -4.259265617e+00 -4.259265617e+00 3.44 -4.189900741e+00 -4.189900741e+00 3.46 -4.120033831e+00 -4.120033831e+00 3.48 -4.049741318e+00 -4.049741318e+00 3.50 -3.979098352e+00 -3.979098352e+00 3.52 -3.908180981e+00 -3.908180981e+00 3.54 -3.837066965e+00 -3.837066965e+00 3.56 -3.765835157e+00 -3.765835157e+00 3.58 -3.694564560e+00 -3.694564560e+00 3.60 -3.623334333e+00 -3.623334333e+00 3.62 -3.552217771e+00 -3.552217771e+00 3.64 -3.481279344e+00 -3.481279344e+00 3.66 -3.410573792e+00 -3.410573792e+00 3.68 -3.340146453e+00 -3.340146453e+00 3.70 -3.270034831e+00 -3.270034831e+00 3.72 -3.200271232e+00 -3.200271232e+00 3.74 -3.130886162e+00 -3.130886162e+00 3.76 -3.061912163e+00 -3.061912163e+00 3.78 -2.993387647e+00 -2.993387647e+00 3.80 -2.925360254e+00 -2.925360254e+00 3.82 -2.857889194e+00 -2.857889194e+00 3.84 -2.791046018e+00 -2.791046018e+00 3.86 -2.724913423e+00 -2.724913423e+00 3.88 -2.659581959e+00 -2.659581959e+00 3.90 -2.595144974e+00 -2.595144974e+00 3.92 -2.531689195e+00 -2.531689195e+00 3.94 -2.469302592e+00 -2.469302592e+00 3.96 -2.408047346e+00 -2.408047346e+00 3.98 -2.347972243e+00 -2.347972243e+00 4.00 -2.289107567e+00 -2.289107567e+00 4.02 -2.231466149e+00 -2.231466149e+00 4.04 -2.175045893e+00 -2.175045893e+00 4.06 -2.119833122e+00 -2.119833122e+00 4.08 -2.065806099e+00 -2.065806099e+00 4.10 -2.012930957e+00 -2.012930957e+00 4.12 -1.961194971e+00 -1.961194971e+00 4.14 -1.910560422e+00 -1.910560422e+00 4.16 -1.860999930e+00 -1.860999930e+00 4.18 -1.812488382e+00 -1.812488382e+00 4.20 -1.765003443e+00 -1.765003443e+00 4.22 -1.718525768e+00 -1.718525768e+00 4.24 -1.673038980e+00 -1.673038980e+00 4.26 -1.628529480e+00 -1.628529480e+00 4.28 -1.584986118e+00 -1.584986118e+00 4.30 -1.542399760e+00 -1.542399760e+00 4.32 -1.500762756e+00 -1.500762756e+00 4.34 -1.460068350e+00 -1.460068350e+00 4.36 -1.420310063e+00 -1.420310063e+00 4.38 -1.381481078e+00 -1.381481078e+00 4.40 -1.343573688e+00 -1.343573688e+00 4.42 -1.306578842e+00 -1.306578842e+00 4.44 -1.270485815e+00 -1.270485815e+00 4.46 -1.235282027e+00 -1.235282027e+00 4.48 -1.200952990e+00 -1.200952990e+00 4.50 -1.167482391e+00 -1.167482391e+00 4.52 -1.134852251e+00 -1.134852251e+00 4.54 -1.103043155e+00 -1.103043155e+00 4.56 -1.072034509e+00 -1.072034509e+00 4.58 -1.041804797e+00 -1.041804797e+00 4.60 -1.012331841e+00 -1.012331841e+00 4.62 -9.835930279e-01 -9.835930279e-01 4.64 -9.555655314e-01 -9.555655314e-01 4.66 -9.282265071e-01 -9.282265071e-01 4.68 -9.015532841e-01 -9.015532841e-01 4.70 -8.755235521e-01 -8.755235521e-01 4.72 -8.501155539e-01 -8.501155539e-01 4.74 -8.253082868e-01 -8.253082868e-01 4.76 -8.010817185e-01 -8.010817185e-01 4.78 -7.774170152e-01 -7.774170152e-01 4.80 -7.542907051e-01 -7.542907051e-01 4.82 -7.317002479e-01 -7.317002479e-01 4.84 -7.096245585e-01 -7.096245585e-01 4.86 -6.880519769e-01 -6.880519769e-01 4.88 -6.669731100e-01 -6.669731100e-01 4.90 -6.463809163e-01 -6.463809163e-01 4.92 -6.262706907e-01 -6.262706907e-01 4.94 -6.066399270e-01 -6.066399270e-01 4.96 -5.874880399e-01 -5.874880399e-01 4.98 -5.688159415e-01 -5.688159415e-01 5.00 -5.506254829e-01 -5.506254829e-01 5.02 -5.329187887e-01 -5.329187887e-01 5.04 -5.156975306e-01 -5.156975306e-01 5.06 -4.989621996e-01 -4.989621996e-01 5.08 -4.827114420e-01 -4.827114420e-01 5.10 -4.669415226e-01 -4.669415226e-01 5.12 -4.516459641e-01 -4.516459641e-01 5.14 -4.368153942e-01 -4.368153942e-01 5.16 -4.224376076e-01 -4.224376076e-01 5.18 -4.084978288e-01 -4.084978288e-01 5.20 -3.949791444e-01 -3.949791444e-01 5.22 -3.818630625e-01 -3.818630625e-01 5.24 -3.691301525e-01 -3.691301525e-01 5.26 -3.567607212e-01 -3.567607212e-01 5.28 -3.447354851e-01 -3.447354851e-01 5.30 -3.330362055e-01 -3.330362055e-01 5.32 -3.216462571e-01 -3.216462571e-01 5.34 -3.105511056e-01 -3.105511056e-01 5.36 -2.997386722e-01 -2.997386722e-01 5.38 -2.891995640e-01 -2.891995640e-01 5.40 -2.789271524e-01 -2.789271524e-01 5.42 -2.689174890e-01 -2.689174890e-01 5.44 -2.591690535e-01 -2.591690535e-01 5.46 -2.496823450e-01 -2.496823450e-01 5.48 -2.404593418e-01 -2.404593418e-01 5.50 -2.315028688e-01 -2.315028688e-01 5.52 -2.228159281e-01 -2.228159281e-01 5.54 -2.144010532e-01 -2.144010532e-01 5.56 -2.062597470e-01 -2.062597470e-01 5.58 -1.983920532e-01 -1.983920532e-01 5.60 -1.907962973e-01 -1.907962973e-01 5.62 -1.834690054e-01 -1.834690054e-01 5.64 -1.764049924e-01 -1.764049924e-01 5.66 -1.695975896e-01 -1.695975896e-01 5.68 -1.630389666e-01 -1.630389666e-01 5.70 -1.567204988e-01 -1.567204988e-01 5.72 -1.506331301e-01 -1.506331301e-01 5.74 -1.447676916e-01 -1.447676916e-01 5.76 -1.391151433e-01 -1.391151433e-01 5.78 -1.336667220e-01 -1.336667220e-01 5.80 -1.284139942e-01 -1.284139942e-01 5.82 -1.233488095e-01 -1.233488095e-01 5.84 -1.184629589e-01 -1.184629589e-01 5.86 -1.137485938e-01 -1.137485938e-01 5.88 -1.091978795e-01 -1.091978795e-01 5.90 -1.048026993e-01 -1.048026993e-01 5.92 -1.005545656e-01 -1.005545656e-01 5.94 -9.644458135e-02 -9.644458135e-02 5.96 -9.246346146e-02 -9.246346146e-02 5.98 -8.860161275e-02 -8.860161275e-02 6.00 -8.484926840e-02 -8.484926840e-02