# 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 = AlNiTa2 # 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 2.168976409e+02 2.168976409e+02 1.30 2.008647338e+02 2.008647338e+02 1.32 1.860224697e+02 1.860224697e+02 1.34 1.722726151e+02 1.722726151e+02 1.36 1.595270267e+02 1.595270267e+02 1.38 1.477072918e+02 1.477072918e+02 1.40 1.367432620e+02 1.367432620e+02 1.42 1.265711282e+02 1.265711282e+02 1.44 1.171315438e+02 1.171315438e+02 1.46 1.083683340e+02 1.083683340e+02 1.48 1.002281595e+02 1.002281595e+02 1.50 9.266086349e+01 9.266086349e+01 1.52 8.561990417e+01 8.561990417e+01 1.54 7.906260552e+01 7.906260552e+01 1.56 7.295028910e+01 7.295028910e+01 1.58 6.724833261e+01 6.724833261e+01 1.60 6.192609578e+01 6.192609578e+01 1.62 5.695664533e+01 5.695664533e+01 1.64 5.231626140e+01 5.231626140e+01 1.66 4.798379015e+01 4.798379015e+01 1.68 4.393999400e+01 4.393999400e+01 1.70 4.016704195e+01 4.016704195e+01 1.72 3.664817503e+01 3.664817503e+01 1.74 3.336750468e+01 3.336750468e+01 1.76 3.030990908e+01 3.030990908e+01 1.78 2.746101734e+01 2.746101734e+01 1.80 2.480760638e+01 2.480760638e+01 1.82 2.234393579e+01 2.234393579e+01 1.84 2.006032130e+01 2.006032130e+01 1.86 1.794499894e+01 1.794499894e+01 1.88 1.598685706e+01 1.598685706e+01 1.90 1.417529275e+01 1.417529275e+01 1.92 1.250139160e+01 1.250139160e+01 1.94 1.095557659e+01 1.095557659e+01 1.96 9.527977067e+00 9.527977067e+00 1.98 8.209172603e+00 8.209172603e+00 2.00 6.990341274e+00 6.990341274e+00 2.02 5.863374147e+00 5.863374147e+00 2.04 4.820943888e+00 4.820943888e+00 2.06 3.856529898e+00 3.856529898e+00 2.08 2.964400023e+00 2.964400023e+00 2.10 2.139548781e+00 2.139548781e+00 2.12 1.377600189e+00 1.377600189e+00 2.14 6.746921630e-01 6.746921630e-01 2.16 2.736151372e-02 2.736151372e-02 2.18 -5.675570041e-01 -5.675570041e-01 2.20 -1.113013062e+00 -1.113013062e+00 2.22 -1.611807460e+00 -1.611807460e+00 2.24 -2.066648897e+00 -2.066648897e+00 2.26 -2.480204793e+00 -2.480204793e+00 2.28 -2.855145795e+00 -2.855145795e+00 2.30 -3.194178371e+00 -3.194178371e+00 2.32 -3.500056190e+00 -3.500056190e+00 2.34 -3.775560210e+00 -3.775560210e+00 2.36 -4.023443666e+00 -4.023443666e+00 2.38 -4.246349906e+00 -4.246349906e+00 2.40 -4.446723629e+00 -4.446723629e+00 2.42 -4.626740512e+00 -4.626740512e+00 2.44 -4.788273280e+00 -4.788273280e+00 2.46 -4.932898083e+00 -4.932898083e+00 2.48 -5.061916823e+00 -5.061916823e+00 2.50 -5.176232166e+00 -5.176232166e+00 2.52 -5.276957079e+00 -5.276957079e+00 2.54 -5.365189762e+00 -5.365189762e+00 2.56 -5.441928264e+00 -5.441928264e+00 2.58 -5.508114326e+00 -5.508114326e+00 2.60 -5.564656636e+00 -5.564656636e+00 2.62 -5.612432796e+00 -5.612432796e+00 2.64 -5.652242982e+00 -5.652242982e+00 2.66 -5.684508935e+00 -5.684508935e+00 2.68 -5.709476179e+00 -5.709476179e+00 2.70 -5.727415112e+00 -5.727415112e+00 2.72 -5.738597593e+00 -5.738597593e+00 2.74 -5.743282276e+00 -5.743282276e+00 2.76 -5.741707636e+00 -5.741707636e+00 2.78 -5.734088928e+00 -5.734088928e+00 2.80 -5.720617312e+00 -5.720617312e+00 2.82 -5.701460994e+00 -5.701460994e+00 2.84 -5.676769309e+00 -5.676769309e+00 2.86 -5.646677173e+00 -5.646677173e+00 2.88 -5.611313095e+00 -5.611313095e+00 2.90 -5.570807448e+00 -5.570807448e+00 2.92 -5.525298375e+00 -5.525298375e+00 2.94 -5.474935967e+00 -5.474935967e+00 2.96 -5.419884528e+00 -5.419884528e+00 2.98 -5.360323064e+00 -5.360323064e+00 3.00 -5.296693272e+00 -5.296693272e+00 3.02 -5.229676480e+00 -5.229676480e+00 3.04 -5.159208304e+00 -5.159208304e+00 3.06 -5.085194532e+00 -5.085194532e+00 3.08 -5.007590351e+00 -5.007590351e+00 3.10 -4.926396975e+00 -4.926396975e+00 3.12 -4.841658040e+00 -4.841658040e+00 3.14 -4.753458798e+00 -4.753458798e+00 3.16 -4.661928438e+00 -4.661928438e+00 3.18 -4.567251626e+00 -4.567251626e+00 3.20 -4.469675120e+00 -4.469675120e+00 3.22 -4.369503041e+00 -4.369503041e+00 3.24 -4.267100630e+00 -4.267100630e+00 3.26 -4.162894204e+00 -4.162894204e+00 3.28 -4.057365001e+00 -4.057365001e+00 3.30 -3.951036150e+00 -3.951036150e+00 3.32 -3.844453122e+00 -3.844453122e+00 3.34 -3.738159203e+00 -3.738159203e+00 3.36 -3.632668528e+00 -3.632668528e+00 3.38 -3.528439772e+00 -3.528439772e+00 3.40 -3.425853580e+00 -3.425853580e+00 3.42 -3.325196208e+00 -3.325196208e+00 3.44 -3.226650859e+00 -3.226650859e+00 3.46 -3.130297015e+00 -3.130297015e+00 3.48 -3.036117011e+00 -3.036117011e+00 3.50 -2.944008343e+00 -2.944008343e+00 3.52 -2.853799895e+00 -2.853799895e+00 3.54 -2.765270209e+00 -2.765270209e+00 3.56 -2.678166274e+00 -2.678166274e+00 3.58 -2.592221665e+00 -2.592221665e+00 3.60 -2.507173312e+00 -2.507173312e+00 3.62 -2.422776536e+00 -2.422776536e+00 3.64 -2.338818252e+00 -2.338818252e+00 3.66 -2.255128340e+00 -2.255128340e+00 3.68 -2.171589224e+00 -2.171589224e+00 3.70 -2.088143562e+00 -2.088143562e+00 3.72 -2.004799858e+00 -2.004799858e+00 3.74 -1.921635607e+00 -1.921635607e+00 3.76 -1.838797509e+00 -1.838797509e+00 3.78 -1.756498269e+00 -1.756498269e+00 3.80 -1.675009624e+00 -1.675009624e+00 3.82 -1.594651507e+00 -1.594651507e+00 3.84 -1.515777623e+00 -1.515777623e+00 3.86 -1.438758188e+00 -1.438758188e+00 3.88 -1.363960991e+00 -1.363960991e+00 3.90 -1.291732275e+00 -1.291732275e+00 3.92 -1.222379073e+00 -1.222379073e+00 3.94 -1.156154544e+00 -1.156154544e+00 3.96 -1.093247454e+00 -1.093247454e+00 3.98 -1.033776528e+00 -1.033776528e+00 4.00 -9.777896982e-01 -9.777896982e-01 4.02 -9.252677800e-01 -9.252677800e-01 4.04 -8.761316852e-01 -8.761316852e-01 4.06 -8.302520527e-01 -8.302520527e-01 4.08 -7.874601708e-01 -7.874601708e-01 4.10 -7.475591711e-01 -7.475591711e-01 4.12 -7.103347875e-01 -7.103347875e-01 4.14 -6.755649446e-01 -6.755649446e-01 4.16 -6.430281338e-01 -6.430281338e-01 4.18 -6.125102358e-01 -6.125102358e-01 4.20 -5.838098672e-01 -5.838098672e-01 4.22 -5.567422975e-01 -5.567422975e-01 4.24 -5.311420382e-01 -5.311420382e-01 4.26 -5.068642158e-01 -5.068642158e-01 4.28 -4.837848570e-01 -4.837848570e-01 4.30 -4.618002254e-01 -4.618002254e-01 4.32 -4.408253845e-01 -4.408253845e-01 4.34 -4.207921712e-01 -4.207921712e-01 4.36 -4.016467821e-01 -4.016467821e-01 4.38 -3.833471834e-01 -3.833471834e-01 4.40 -3.658605417e-01 -3.658605417e-01 4.42 -3.491607753e-01 -3.491607753e-01 4.44 -3.332262736e-01 -3.332262736e-01 4.46 -3.180376327e-01 -3.180376327e-01 4.48 -3.035764468e-01 -3.035764468e-01 4.50 -2.898233187e-01 -2.898233187e-01 4.52 -2.767563447e-01 -2.767563447e-01 4.54 -2.643500350e-01 -2.643500350e-01 4.56 -2.525745555e-01 -2.525745555e-01 4.58 -2.413953536e-01 -2.413953536e-01 4.60 -2.307732028e-01 -2.307732028e-01 4.62 -2.206646608e-01 -2.206646608e-01 4.64 -2.110228771e-01 -2.110228771e-01 4.66 -2.017984736e-01 -2.017984736e-01 4.68 -1.929413300e-01 -1.929413300e-01 4.70 -1.844016788e-01 -1.844016788e-01 4.72 -1.761312869e-01 -1.761312869e-01 4.74 -1.680847705e-01 -1.680847705e-01 4.76 -1.602207939e-01 -1.602207939e-01 4.78 -1.525031365e-01 -1.525031365e-01 4.80 -1.449016121e-01 -1.449016121e-01 4.82 -1.373928646e-01 -1.373928646e-01 4.84 -1.299609271e-01 -1.299609271e-01 4.86 -1.225976380e-01 -1.225976380e-01 4.88 -1.153027782e-01 -1.153027782e-01 4.90 -1.080839237e-01 -1.080839237e-01 4.92 -1.009559699e-01 -1.009559699e-01 4.94 -9.394030371e-02 -9.394030371e-02 4.96 -8.706363016e-02 -8.706363016e-02 4.98 -8.035649324e-02 -8.035649324e-02 5.00 -7.385156816e-02 -7.385156816e-02 5.02 -6.758183629e-02 -6.758183629e-02 5.04 -6.157877481e-02 -6.157877481e-02 5.06 -5.587069771e-02 -5.587069771e-02 5.08 -5.048137251e-02 -5.048137251e-02 5.10 -4.542900175e-02 -4.542900175e-02 5.12 -4.072561517e-02 -4.072561517e-02 5.14 -3.637689865e-02 -3.637689865e-02 5.16 -3.238239968e-02 -3.238239968e-02 5.18 -2.873605776e-02 -2.873605776e-02 5.20 -2.542695184e-02 -2.542695184e-02 5.22 -2.244018232e-02 -2.244018232e-02 5.24 -1.975781492e-02 -1.975781492e-02 5.26 -1.735978417e-02 -1.735978417e-02 5.28 -1.522441168e-02 -1.522441168e-02 5.30 -1.333000805e-02 -1.333000805e-02 5.32 -1.165508340e-02 -1.165508340e-02 5.34 -1.017862375e-02 -1.017862375e-02 5.36 -8.880495623e-03 -8.880495623e-03 5.38 -7.741726856e-03 -7.741726856e-03 5.40 -6.744682895e-03 -6.744682895e-03 5.42 -5.873158649e-03 -5.873158649e-03 5.44 -5.112404712e-03 -5.112404712e-03 5.46 -4.449104729e-03 -4.449104729e-03 5.48 -3.871318164e-03 -3.871318164e-03 5.50 -3.368400095e-03 -3.368400095e-03 5.52 -2.930907235e-03 -2.930907235e-03 5.54 -2.550497193e-03 -2.550497193e-03 5.56 -2.219826155e-03 -2.219826155e-03 5.58 -1.932448656e-03 -1.932448656e-03 5.60 -1.682721915e-03 -1.682721915e-03 5.62 -1.465716307e-03 -1.465716307e-03 5.64 -1.277132808e-03 -1.277132808e-03 5.66 -1.113227795e-03 -1.113227795e-03 5.68 -9.707451812e-04 -9.707451812e-04 5.70 -8.468556610e-04 -8.468556610e-04 5.72 -7.391026543e-04 -7.391026543e-04 5.74 -6.453544733e-04 -6.453544733e-04 5.76 -5.637621749e-04 -5.637621749e-04 5.78 -4.927225608e-04 -4.927225608e-04 5.80 -4.308457921e-04 -4.308457921e-04 5.82 -3.769271161e-04 -3.769271161e-04 5.84 -3.299222334e-04 -3.299222334e-04 5.86 -2.889258730e-04 -2.889258730e-04 5.88 -2.531531849e-04 -2.531531849e-04 5.90 -2.219235974e-04 -2.219235974e-04 5.92 -1.946468256e-04 -1.946468256e-04 5.94 -1.708107535e-04 -1.708107535e-04 5.96 -1.499709441e-04 -1.499709441e-04 5.98 -1.317415631e-04 -1.317415631e-04 6.00 -1.157875280e-04 -1.157875280e-04