# 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 = Ag2AlCo # 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 1.723885811e+02 1.723885811e+02 1.30 1.594419280e+02 1.594419280e+02 1.32 1.474713340e+02 1.474713340e+02 1.34 1.363974775e+02 1.363974775e+02 1.36 1.261479260e+02 1.261479260e+02 1.38 1.166573507e+02 1.166573507e+02 1.40 1.078667371e+02 1.078667371e+02 1.42 9.972202926e+01 9.972202926e+01 1.44 9.217278938e+01 9.217278938e+01 1.46 8.517153950e+01 8.517153950e+01 1.48 7.867417671e+01 7.867417671e+01 1.50 7.264089874e+01 7.264089874e+01 1.52 6.703653350e+01 6.703653350e+01 1.54 6.182989244e+01 6.182989244e+01 1.56 5.699273327e+01 5.699273327e+01 1.58 5.249895709e+01 5.249895709e+01 1.60 4.832415706e+01 4.832415706e+01 1.62 4.444725728e+01 4.444725728e+01 1.64 4.084939320e+01 4.084939320e+01 1.66 3.751148822e+01 3.751148822e+01 1.68 3.441402200e+01 3.441402200e+01 1.70 3.153872717e+01 3.153872717e+01 1.72 2.886894728e+01 2.886894728e+01 1.74 2.638957766e+01 2.638957766e+01 1.76 2.408684401e+01 2.408684401e+01 1.78 2.194810038e+01 2.194810038e+01 1.80 1.996175645e+01 1.996175645e+01 1.82 1.811728116e+01 1.811728116e+01 1.84 1.640516334e+01 1.640516334e+01 1.86 1.481677193e+01 1.481677193e+01 1.88 1.334414103e+01 1.334414103e+01 1.90 1.197974028e+01 1.197974028e+01 1.92 1.071629003e+01 1.071629003e+01 1.94 9.546669916e+00 9.546669916e+00 1.96 8.463944309e+00 8.463944309e+00 1.98 7.461484335e+00 7.461484335e+00 2.00 6.533125195e+00 6.533125195e+00 2.02 5.673287855e+00 5.673287855e+00 2.04 4.877016482e+00 4.877016482e+00 2.06 4.139923070e+00 4.139923070e+00 2.08 3.458069886e+00 3.458069886e+00 2.10 2.827838870e+00 2.827838870e+00 2.12 2.245828352e+00 2.245828352e+00 2.14 1.708794725e+00 1.708794725e+00 2.16 1.213637205e+00 1.213637205e+00 2.18 7.574132171e-01 7.574132171e-01 2.20 3.373676974e-01 3.373676974e-01 2.22 -4.904033182e-02 -4.904033182e-02 2.24 -4.041254373e-01 -4.041254373e-01 2.26 -7.299808151e-01 -7.299808151e-01 2.28 -1.028496587e+00 -1.028496587e+00 2.30 -1.301384390e+00 -1.301384390e+00 2.32 -1.550202857e+00 -1.550202857e+00 2.34 -1.776381146e+00 -1.776381146e+00 2.36 -1.981240394e+00 -1.981240394e+00 2.38 -2.166013817e+00 -2.166013817e+00 2.40 -2.331866372e+00 -2.331866372e+00 2.42 -2.479914183e+00 -2.479914183e+00 2.44 -2.611242962e+00 -2.611242962e+00 2.46 -2.726954389e+00 -2.726954389e+00 2.48 -2.828122171e+00 -2.828122171e+00 2.50 -2.915771861e+00 -2.915771861e+00 2.52 -2.990943978e+00 -2.990943978e+00 2.54 -3.054693646e+00 -3.054693646e+00 2.56 -3.108089779e+00 -3.108089779e+00 2.58 -3.152211158e+00 -3.152211158e+00 2.60 -3.188434129e+00 -3.188434129e+00 2.62 -3.218342807e+00 -3.218342807e+00 2.64 -3.242526145e+00 -3.242526145e+00 2.66 -3.261484726e+00 -3.261484726e+00 2.68 -3.275649504e+00 -3.275649504e+00 2.70 -3.285359286e+00 -3.285359286e+00 2.72 -3.290860838e+00 -3.290860838e+00 2.74 -3.292325423e+00 -3.292325423e+00 2.76 -3.289951578e+00 -3.289951578e+00 2.78 -3.283961731e+00 -3.283961731e+00 2.80 -3.274281536e+00 -3.274281536e+00 2.82 -3.260864391e+00 -3.260864391e+00 2.84 -3.243705269e+00 -3.243705269e+00 2.86 -3.222834708e+00 -3.222834708e+00 2.88 -3.198313473e+00 -3.198313473e+00 2.90 -3.170229134e+00 -3.170229134e+00 2.92 -3.138695475e+00 -3.138695475e+00 2.94 -3.103858037e+00 -3.103858037e+00 2.96 -3.065906532e+00 -3.065906532e+00 2.98 -3.025071301e+00 -3.025071301e+00 3.00 -2.981627270e+00 -2.981627270e+00 3.02 -2.935896790e+00 -2.935896790e+00 3.04 -2.888245710e+00 -2.888245710e+00 3.06 -2.839071049e+00 -2.839071049e+00 3.08 -2.788780768e+00 -2.788780768e+00 3.10 -2.737769038e+00 -2.737769038e+00 3.12 -2.686391907e+00 -2.686391907e+00 3.14 -2.634948486e+00 -2.634948486e+00 3.16 -2.583670846e+00 -2.583670846e+00 3.18 -2.532723453e+00 -2.532723453e+00 3.20 -2.482210386e+00 -2.482210386e+00 3.22 -2.432187385e+00 -2.432187385e+00 3.24 -2.382675614e+00 -2.382675614e+00 3.26 -2.333674688e+00 -2.333674688e+00 3.28 -2.285173487e+00 -2.285173487e+00 3.30 -2.237158203e+00 -2.237158203e+00 3.32 -2.189617682e+00 -2.189617682e+00 3.34 -2.142546496e+00 -2.142546496e+00 3.36 -2.095946267e+00 -2.095946267e+00 3.38 -2.049825771e+00 -2.049825771e+00 3.40 -2.004200235e+00 -2.004200235e+00 3.42 -1.959090191e+00 -1.959090191e+00 3.44 -1.914520059e+00 -1.914520059e+00 3.46 -1.870516695e+00 -1.870516695e+00 3.48 -1.827107953e+00 -1.827107953e+00 3.50 -1.784321369e+00 -1.784321369e+00 3.52 -1.742182987e+00 -1.742182987e+00 3.54 -1.700716370e+00 -1.700716370e+00 3.56 -1.659941800e+00 -1.659941800e+00 3.58 -1.619875661e+00 -1.619875661e+00 3.60 -1.580530024e+00 -1.580530024e+00 3.62 -1.541912397e+00 -1.541912397e+00 3.64 -1.504025651e+00 -1.504025651e+00 3.66 -1.466868105e+00 -1.466868105e+00 3.68 -1.430433753e+00 -1.430433753e+00 3.70 -1.394712613e+00 -1.394712613e+00 3.72 -1.359691190e+00 -1.359691190e+00 3.74 -1.325353006e+00 -1.325353006e+00 3.76 -1.291679198e+00 -1.291679198e+00 3.78 -1.258649123e+00 -1.258649123e+00 3.80 -1.226240960e+00 -1.226240960e+00 3.82 -1.194432274e+00 -1.194432274e+00 3.84 -1.163200513e+00 -1.163200513e+00 3.86 -1.132523420e+00 -1.132523420e+00 3.88 -1.102379333e+00 -1.102379333e+00 3.90 -1.072747388e+00 -1.072747388e+00 3.92 -1.043607583e+00 -1.043607583e+00 3.94 -1.014940784e+00 -1.014940784e+00 3.96 -9.867285897e-01 -9.867285897e-01 3.98 -9.589532138e-01 -9.589532138e-01 4.00 -9.315973311e-01 -9.315973311e-01 4.02 -9.046439877e-01 -9.046439877e-01 4.04 -8.780766143e-01 -8.780766143e-01 4.06 -8.518791982e-01 -8.518791982e-01 4.08 -8.260366580e-01 -8.260366580e-01 4.10 -8.005354408e-01 -8.005354408e-01 4.12 -7.753644180e-01 -7.753644180e-01 4.14 -7.505158855e-01 -7.505158855e-01 4.16 -7.259868455e-01 -7.259868455e-01 4.18 -7.017802831e-01 -7.017802831e-01 4.20 -6.779063626e-01 -6.779063626e-01 4.22 -6.543833421e-01 -6.543833421e-01 4.24 -6.312380007e-01 -6.312380007e-01 4.26 -6.085053826e-01 -6.085053826e-01 4.28 -5.862277236e-01 -5.862277236e-01 4.30 -5.644525206e-01 -5.644525206e-01 4.32 -5.432298375e-01 -5.432298375e-01 4.34 -5.226090742e-01 -5.226090742e-01 4.36 -5.026355366e-01 -5.026355366e-01 4.38 -4.833471934e-01 -4.833471934e-01 4.40 -4.647719853e-01 -4.647719853e-01 4.42 -4.469259616e-01 -4.469259616e-01 4.44 -4.298123844e-01 -4.298123844e-01 4.46 -4.134217957e-01 -4.134217957e-01 4.48 -3.977329163e-01 -3.977329163e-01 4.50 -3.827141648e-01 -3.827141648e-01 4.52 -3.683255525e-01 -3.683255525e-01 4.54 -3.545207209e-01 -3.545207209e-01 4.56 -3.412489346e-01 -3.412489346e-01 4.58 -3.284568961e-01 -3.284568961e-01 4.60 -3.160903146e-01 -3.160903146e-01 4.62 -3.040952075e-01 -3.040952075e-01 4.64 -2.924189569e-01 -2.924189569e-01 4.66 -2.810111655e-01 -2.810111655e-01 4.68 -2.698243708e-01 -2.698243708e-01 4.70 -2.588146789e-01 -2.588146789e-01 4.72 -2.479423719e-01 -2.479423719e-01 4.74 -2.371725333e-01 -2.371725333e-01 4.76 -2.264757159e-01 -2.264757159e-01 4.78 -2.158286596e-01 -2.158286596e-01 4.80 -2.052150343e-01 -2.052150343e-01 4.82 -1.946262059e-01 -1.946262059e-01 4.84 -1.840618547e-01 -1.840618547e-01 4.86 -1.735305008e-01 -1.735305008e-01 4.88 -1.630497270e-01 -1.630497270e-01 4.90 -1.526460416e-01 -1.526460416e-01 4.92 -1.423542898e-01 -1.423542898e-01 4.94 -1.322165599e-01 -1.322165599e-01 4.96 -1.222805841e-01 -1.222805841e-01 4.98 -1.125976915e-01 -1.125976915e-01 5.00 -1.032204348e-01 -1.032204348e-01 5.02 -9.420006834e-02 -9.420006834e-02 5.04 -8.558407354e-02 -8.558407354e-02 5.06 -7.741393890e-02 -7.741393890e-02 5.08 -6.972337521e-02 -6.972337521e-02 5.10 -6.253708448e-02 -6.253708448e-02 5.12 -5.587014528e-02 -5.587014528e-02 5.14 -4.972801115e-02 -4.972801115e-02 5.16 -4.410703901e-02 -4.410703901e-02 5.18 -3.899544268e-02 -3.899544268e-02 5.20 -3.437440087e-02 -3.437440087e-02 5.22 -3.021948533e-02 -3.021948533e-02 5.24 -2.650269267e-02 -2.650269267e-02 5.26 -2.319325276e-02 -2.319325276e-02 5.28 -2.025878439e-02 -2.025878439e-02 5.30 -1.766610630e-02 -1.766610630e-02 5.32 -1.538321286e-02 -1.538321286e-02 5.34 -1.337919195e-02 -1.337919195e-02 5.36 -1.162461970e-02 -1.162461970e-02 5.38 -1.009194368e-02 -1.009194368e-02 5.40 -8.755709337e-03 -8.755709337e-03 5.42 -7.592662559e-03 -7.592662559e-03 5.44 -6.581758240e-03 -6.581758240e-03 5.46 -5.704100711e-03 -5.704100711e-03 5.48 -4.942837407e-03 -4.942837407e-03 5.50 -4.283022937e-03 -4.283022937e-03 5.52 -3.711466781e-03 -3.711466781e-03 5.54 -3.216574524e-03 -3.216574524e-03 5.56 -2.788189741e-03 -2.788189741e-03 5.58 -2.417441452e-03 -2.417441452e-03 5.60 -2.096600326e-03 -2.096600326e-03 5.62 -1.818945490e-03 -1.818945490e-03 5.64 -1.578642860e-03 -1.578642860e-03 5.66 -1.370635203e-03 -1.370635203e-03 5.68 -1.190543675e-03 -1.190543675e-03 5.70 -1.034580278e-03 -1.034580278e-03 5.72 -8.994704804e-04 -8.994704804e-04 5.74 -7.823851605e-04 -7.823851605e-04 5.76 -6.808809911e-04 -6.808809911e-04 5.78 -5.928483967e-04 -5.928483967e-04 5.80 -5.164662479e-04 -5.164662479e-04 5.82 -4.501625138e-04 -4.501625138e-04 5.84 -3.925801532e-04 -3.925801532e-04 5.86 -3.425475953e-04 -3.425475953e-04 5.88 -2.990532246e-04 -2.990532246e-04 5.90 -2.612233493e-04 -2.612233493e-04 5.92 -2.283031947e-04 -2.283031947e-04 5.94 -1.996405145e-04 -1.996405145e-04 5.96 -1.746714683e-04 -1.746714683e-04 5.98 -1.529084547e-04 -1.529084547e-04 6.00 -1.339296327e-04 -1.339296327e-04