# 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 = AgAlPt2 # 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 2.776712666e+02 2.776712666e+02 1.30 2.588766871e+02 2.588766871e+02 1.32 2.413134982e+02 2.413134982e+02 1.34 2.248931947e+02 2.248931947e+02 1.36 2.095357437e+02 2.095357437e+02 1.38 1.951645065e+02 1.951645065e+02 1.40 1.817063265e+02 1.817063265e+02 1.42 1.690952571e+02 1.690952571e+02 1.44 1.572739821e+02 1.572739821e+02 1.46 1.461927899e+02 1.461927899e+02 1.48 1.358083776e+02 1.358083776e+02 1.50 1.260812465e+02 1.260812465e+02 1.52 1.169712672e+02 1.169712672e+02 1.54 1.084346160e+02 1.084346160e+02 1.56 1.004243482e+02 1.004243482e+02 1.58 9.289336072e+01 9.289336072e+01 1.60 8.579742588e+01 8.579742588e+01 1.62 7.909731400e+01 7.909731400e+01 1.64 7.276019113e+01 7.276019113e+01 1.66 6.676040280e+01 6.676040280e+01 1.68 6.107923504e+01 6.107923504e+01 1.70 5.570360182e+01 5.570360182e+01 1.72 5.069671631e+01 5.069671631e+01 1.74 4.609428005e+01 4.609428005e+01 1.76 4.186747845e+01 4.186747845e+01 1.78 3.798460839e+01 3.798460839e+01 1.80 3.441411397e+01 3.441411397e+01 1.82 3.112683567e+01 3.112683567e+01 1.84 2.809754157e+01 2.809754157e+01 1.86 2.530534419e+01 2.530534419e+01 1.88 2.273302410e+01 2.273302410e+01 1.90 2.036567131e+01 2.036567131e+01 1.92 1.818929701e+01 1.818929701e+01 1.94 1.619003522e+01 1.619003522e+01 1.96 1.435413748e+01 1.435413748e+01 1.98 1.266843727e+01 1.266843727e+01 2.00 1.112077575e+01 1.112077575e+01 2.02 9.700117674e+00 9.700117674e+00 2.04 8.396421062e+00 8.396421062e+00 2.06 7.200452495e+00 7.200452495e+00 2.08 6.103660853e+00 6.103660853e+00 2.10 5.098108915e+00 5.098108915e+00 2.12 4.176426161e+00 4.176426161e+00 2.14 3.331770089e+00 3.331770089e+00 2.16 2.557806896e+00 2.557806896e+00 2.18 1.848718404e+00 1.848718404e+00 2.20 1.199223830e+00 1.199223830e+00 2.22 6.045952222e-01 6.045952222e-01 2.24 6.065092691e-02 6.065092691e-02 2.26 -4.362763151e-01 -4.362763151e-01 2.28 -8.893911952e-01 -8.893911952e-01 2.30 -1.301499800e+00 -1.301499800e+00 2.32 -1.675079979e+00 -1.675079979e+00 2.34 -2.012354554e+00 -2.012354554e+00 2.36 -2.315365025e+00 -2.315365025e+00 2.38 -2.586042552e+00 -2.586042552e+00 2.40 -2.826271596e+00 -2.826271596e+00 2.42 -3.037940305e+00 -3.037940305e+00 2.44 -3.222972330e+00 -3.222972330e+00 2.46 -3.383338349e+00 -3.383338349e+00 2.48 -3.521699243e+00 -3.521699243e+00 2.50 -3.642169656e+00 -3.642169656e+00 2.52 -3.746301272e+00 -3.746301272e+00 2.54 -3.835480953e+00 -3.835480953e+00 2.56 -3.911134654e+00 -3.911134654e+00 2.58 -3.974670212e+00 -3.974670212e+00 2.60 -4.027420105e+00 -4.027420105e+00 2.62 -4.070592688e+00 -4.070592688e+00 2.64 -4.105237103e+00 -4.105237103e+00 2.66 -4.132223302e+00 -4.132223302e+00 2.68 -4.152237347e+00 -4.152237347e+00 2.70 -4.165791346e+00 -4.165791346e+00 2.72 -4.173246092e+00 -4.173246092e+00 2.74 -4.174842149e+00 -4.174842149e+00 2.76 -4.170733858e+00 -4.170733858e+00 2.78 -4.161021395e+00 -4.161021395e+00 2.80 -4.145778385e+00 -4.145778385e+00 2.82 -4.125195762e+00 -4.125195762e+00 2.84 -4.099811653e+00 -4.099811653e+00 2.86 -4.069627946e+00 -4.069627946e+00 2.88 -4.034663935e+00 -4.034663935e+00 2.90 -3.995042249e+00 -3.995042249e+00 2.92 -3.951001442e+00 -3.951001442e+00 2.94 -3.902902298e+00 -3.902902298e+00 2.96 -3.851222331e+00 -3.851222331e+00 2.98 -3.796534728e+00 -3.796534728e+00 3.00 -3.739472125e+00 -3.739472125e+00 3.02 -3.680684288e+00 -3.680684288e+00 3.04 -3.620794587e+00 -3.620794587e+00 3.06 -3.560365537e+00 -3.560365537e+00 3.08 -3.499898387e+00 -3.499898387e+00 3.10 -3.439681349e+00 -3.439681349e+00 3.12 -3.379887397e+00 -3.379887397e+00 3.14 -3.320601270e+00 -3.320601270e+00 3.16 -3.261836969e+00 -3.261836969e+00 3.18 -3.203556883e+00 -3.203556883e+00 3.20 -3.145689874e+00 -3.145689874e+00 3.22 -3.088147000e+00 -3.088147000e+00 3.24 -3.030834248e+00 -3.030834248e+00 3.26 -2.973662249e+00 -2.973662249e+00 3.28 -2.916553986e+00 -2.916553986e+00 3.30 -2.859451406e+00 -2.859451406e+00 3.32 -2.802315176e+00 -2.802315176e+00 3.34 -2.745125116e+00 -2.745125116e+00 3.36 -2.687887158e+00 -2.687887158e+00 3.38 -2.630680946e+00 -2.630680946e+00 3.40 -2.573617746e+00 -2.573617746e+00 3.42 -2.516806999e+00 -2.516806999e+00 3.44 -2.460355375e+00 -2.460355375e+00 3.46 -2.404365547e+00 -2.404365547e+00 3.48 -2.348934694e+00 -2.348934694e+00 3.50 -2.294152968e+00 -2.294152968e+00 3.52 -2.240102084e+00 -2.240102084e+00 3.54 -2.186854128e+00 -2.186854128e+00 3.56 -2.134470616e+00 -2.134470616e+00 3.58 -2.083001833e+00 -2.083001833e+00 3.60 -2.032486431e+00 -2.032486431e+00 3.62 -1.982951270e+00 -1.982951270e+00 3.64 -1.934411495e+00 -1.934411495e+00 3.66 -1.886870829e+00 -1.886870829e+00 3.68 -1.840322088e+00 -1.840322088e+00 3.70 -1.794747917e+00 -1.794747917e+00 3.72 -1.750121745e+00 -1.750121745e+00 3.74 -1.706408963e+00 -1.706408963e+00 3.76 -1.663568291e+00 -1.663568291e+00 3.78 -1.621553302e+00 -1.621553302e+00 3.80 -1.580314052e+00 -1.580314052e+00 3.82 -1.539798735e+00 -1.539798735e+00 3.84 -1.499955298e+00 -1.499955298e+00 3.86 -1.460732930e+00 -1.460732930e+00 3.88 -1.422083392e+00 -1.422083392e+00 3.90 -1.383962130e+00 -1.383962130e+00 3.92 -1.346329180e+00 -1.346329180e+00 3.94 -1.309149912e+00 -1.309149912e+00 3.96 -1.272395584e+00 -1.272395584e+00 3.98 -1.236043855e+00 -1.236043855e+00 4.00 -1.200079246e+00 -1.200079246e+00 4.02 -1.164493605e+00 -1.164493605e+00 4.04 -1.129286570e+00 -1.129286570e+00 4.06 -1.094466008e+00 -1.094466008e+00 4.08 -1.060048334e+00 -1.060048334e+00 4.10 -1.026058584e+00 -1.026058584e+00 4.12 -9.925301975e-01 -9.925301975e-01 4.14 -9.595041706e-01 -9.595041706e-01 4.16 -9.270278054e-01 -9.270278054e-01 4.18 -8.951528353e-01 -8.951528353e-01 4.20 -8.639331250e-01 -8.639331250e-01 4.22 -8.334221126e-01 -8.334221126e-01 4.24 -8.036702247e-01 -8.036702247e-01 4.26 -7.747224909e-01 -7.747224909e-01 4.28 -7.466165263e-01 -7.466165263e-01 4.30 -7.193809683e-01 -7.193809683e-01 4.32 -6.930343679e-01 -6.930343679e-01 4.34 -6.675844833e-01 -6.675844833e-01 4.36 -6.430279104e-01 -6.430279104e-01 4.38 -6.193500026e-01 -6.193500026e-01 4.40 -5.965250707e-01 -5.965250707e-01 4.42 -5.745168765e-01 -5.745168765e-01 4.44 -5.532794394e-01 -5.532794394e-01 4.46 -5.327581598e-01 -5.327581598e-01 4.48 -5.128912304e-01 -5.128912304e-01 4.50 -4.936112821e-01 -4.936112821e-01 4.52 -4.748471903e-01 -4.748471903e-01 4.54 -4.565259706e-01 -4.565259706e-01 4.56 -4.385747052e-01 -4.385747052e-01 4.58 -4.209224624e-01 -4.209224624e-01 4.60 -4.035021937e-01 -4.035021937e-01 4.62 -3.862526087e-01 -3.862526087e-01 4.64 -3.691200296e-01 -3.691200296e-01 4.66 -3.520602186e-01 -3.520602186e-01 4.68 -3.350401468e-01 -3.350401468e-01 4.70 -3.180396425e-01 -3.180396425e-01 4.72 -3.010528195e-01 -3.010528195e-01 4.74 -2.840891493e-01 -2.840891493e-01 4.76 -2.671740206e-01 -2.671740206e-01 4.78 -2.503486243e-01 -2.503486243e-01 4.80 -2.336690202e-01 -2.336690202e-01 4.82 -2.172043464e-01 -2.172043464e-01 4.84 -2.010340651e-01 -2.010340651e-01 4.86 -1.852444988e-01 -1.852444988e-01 4.88 -1.699247541e-01 -1.699247541e-01 4.90 -1.551623785e-01 -1.551623785e-01 4.92 -1.410390921e-01 -1.410390921e-01 4.94 -1.276269473e-01 -1.276269473e-01 4.96 -1.149852188e-01 -1.149852188e-01 4.98 -1.031582398e-01 -1.031582398e-01 5.00 -9.217428135e-02 -9.217428135e-02 5.02 -8.204545928e-02 -8.204545928e-02 5.04 -7.276855204e-02 -7.276855204e-02 5.06 -6.432654088e-02 -6.432654088e-02 5.08 -5.669065057e-02 -5.669065057e-02 5.10 -4.982266411e-02 -4.982266411e-02 5.12 -4.367730812e-02 -4.367730812e-02 5.14 -3.820455206e-02 -3.820455206e-02 5.16 -3.335168035e-02 -3.335168035e-02 5.18 -2.906508236e-02 -2.906508236e-02 5.20 -2.529171179e-02 -2.529171179e-02 5.22 -2.198024561e-02 -2.198024561e-02 5.24 -1.908194638e-02 -1.908194638e-02 5.26 -1.655108333e-02 -1.655108333e-02 5.28 -1.434507490e-02 -1.434507490e-02 5.30 -1.242583249e-02 -1.242583249e-02 5.32 -1.075994748e-02 -1.075994748e-02 5.34 -9.315811182e-03 -9.315811182e-03 5.36 -8.064694311e-03 -8.064694311e-03 5.38 -6.981378457e-03 -6.981378457e-03 5.40 -6.043773901e-03 -6.043773901e-03 5.42 -5.232569063e-03 -5.232569063e-03 5.44 -4.530911591e-03 -4.530911591e-03 5.46 -3.924119897e-03 -3.924119897e-03 5.48 -3.399423400e-03 -3.399423400e-03 5.50 -2.945729557e-03 -2.945729557e-03 5.52 -2.553415723e-03 -2.553415723e-03 5.54 -2.214143876e-03 -2.214143876e-03 5.56 -1.920696317e-03 -1.920696317e-03 5.58 -1.666830473e-03 -1.666830473e-03 5.60 -1.447151019e-03 -1.447151019e-03 5.62 -1.256997627e-03 -1.256997627e-03 5.64 -1.092346697e-03 -1.092346697e-03 5.66 -9.497255764e-04 -9.497255764e-04 5.68 -8.261378490e-04 -8.261378490e-04 5.70 -7.189984095e-04 -7.189984095e-04 5.72 -6.260771408e-04 -6.260771408e-04 5.74 -5.454501374e-04 -5.454501374e-04 5.76 -4.754575184e-04 -4.754575184e-04 5.78 -4.146669840e-04 -4.146669840e-04 5.80 -3.618423642e-04 -3.618423642e-04 5.82 -3.159164951e-04 -3.159164951e-04 5.84 -2.759678448e-04 -2.759678448e-04 5.86 -2.412003775e-04 -2.412003775e-04 5.88 -2.109262152e-04 -2.109262152e-04 5.90 -1.845507112e-04 -1.845507112e-04 5.92 -1.615596021e-04 -1.615596021e-04 5.94 -1.415079487e-04 -1.415079487e-04 5.96 -1.240106172e-04 -1.240106172e-04 5.98 -1.087340853e-04 -1.087340853e-04 6.00 -9.538938771e-05 -9.538938771e-05