# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Bonny-G-Grigorev-P-Terentyev-D--W-H-He-1 # implementation = 2014--Bonny-G--W-H-He-1--LAMMPS--ipr1 # composition = H2HeW # 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 2022-05-24 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 9.246507977e+01 9.246507977e+01 1.00 8.566377381e+01 8.566377381e+01 1.02 7.932449260e+01 7.932449260e+01 1.04 7.339527875e+01 7.339527875e+01 1.06 6.782427968e+01 6.782427968e+01 1.08 6.256662305e+01 6.256662305e+01 1.10 5.761348436e+01 5.761348436e+01 1.12 5.294988401e+01 5.294988401e+01 1.14 4.855302414e+01 4.855302414e+01 1.16 4.443108878e+01 4.443108878e+01 1.18 4.056166308e+01 4.056166308e+01 1.20 3.692889722e+01 3.692889722e+01 1.22 3.352396911e+01 3.352396911e+01 1.24 3.034854788e+01 3.034854788e+01 1.26 2.742803174e+01 2.742803174e+01 1.28 2.474353099e+01 2.474353099e+01 1.30 2.227429190e+01 2.227429190e+01 1.32 2.000272968e+01 2.000272968e+01 1.34 1.790972933e+01 1.790972933e+01 1.36 1.597772497e+01 1.597772497e+01 1.38 1.419618750e+01 1.419618750e+01 1.40 1.256118340e+01 1.256118340e+01 1.42 1.106925061e+01 1.106925061e+01 1.44 9.714047151e+00 9.714047151e+00 1.46 8.488563704e+00 8.488563704e+00 1.48 7.384428965e+00 7.384428965e+00 1.50 6.389785979e+00 6.389785979e+00 1.52 5.486133560e+00 5.486133560e+00 1.54 4.662083580e+00 4.662083580e+00 1.56 3.910096887e+00 3.910096887e+00 1.58 3.225346490e+00 3.225346490e+00 1.60 2.615888151e+00 2.615888151e+00 1.62 2.103623551e+00 2.103623551e+00 1.64 1.684354647e+00 1.684354647e+00 1.66 1.326440057e+00 1.326440057e+00 1.68 1.010529095e+00 1.010529095e+00 1.70 7.298639408e-01 7.298639408e-01 1.72 4.795388272e-01 4.795388272e-01 1.74 2.548214039e-01 2.548214039e-01 1.76 5.373513171e-02 5.373513171e-02 1.78 -1.233535250e-01 -1.233535250e-01 1.80 -2.773897928e-01 -2.773897928e-01 1.82 -4.096959914e-01 -4.096959914e-01 1.84 -5.221189761e-01 -5.221189761e-01 1.86 -6.153157129e-01 -6.153157129e-01 1.88 -6.895052522e-01 -6.895052522e-01 1.90 -7.449003389e-01 -7.449003389e-01 1.92 -7.821658102e-01 -7.821658102e-01 1.94 -8.049724789e-01 -8.049724789e-01 1.96 -8.174808504e-01 -8.174808504e-01 1.98 -8.217173440e-01 -8.217173440e-01 2.00 -8.195971207e-01 -8.195971207e-01 2.02 -8.128087369e-01 -8.128087369e-01 2.04 -8.021404585e-01 -8.021404585e-01 2.06 -7.882586936e-01 -7.882586936e-01 2.08 -7.720481183e-01 -7.720481183e-01 2.10 -7.544116188e-01 -7.544116188e-01 2.12 -7.362395104e-01 -7.362395104e-01 2.14 -7.182655112e-01 -7.182655112e-01 2.16 -7.006888750e-01 -7.006888750e-01 2.18 -6.835022709e-01 -6.835022709e-01 2.20 -6.665001436e-01 -6.665001436e-01 2.22 -6.494859283e-01 -6.494859283e-01 2.24 -6.324599736e-01 -6.324599736e-01 2.26 -6.155109486e-01 -6.155109486e-01 2.28 -5.987296021e-01 -5.987296021e-01 2.30 -5.822083277e-01 -5.822083277e-01 2.32 -5.660410485e-01 -5.660410485e-01 2.34 -5.503183753e-01 -5.503183753e-01 2.36 -5.352630740e-01 -5.352630740e-01 2.38 -5.213775203e-01 -5.213775203e-01 2.40 -5.085692245e-01 -5.085692245e-01 2.42 -4.965256870e-01 -4.965256870e-01 2.44 -4.849347656e-01 -4.849347656e-01 2.46 -4.734857943e-01 -4.734857943e-01 2.48 -4.618695959e-01 -4.618695959e-01 2.50 -4.497785063e-01 -4.497785063e-01 2.52 -4.369063987e-01 -4.369063987e-01 2.54 -4.229487395e-01 -4.229487395e-01 2.56 -4.076028146e-01 -4.076028146e-01 2.58 -3.906722645e-01 -3.906722645e-01 2.60 -3.722527066e-01 -3.722527066e-01 2.62 -3.524891445e-01 -3.524891445e-01 2.64 -3.315213930e-01 -3.315213930e-01 2.66 -3.094897811e-01 -3.094897811e-01 2.68 -2.865299919e-01 -2.865299919e-01 2.70 -2.628257989e-01 -2.628257989e-01 2.72 -2.383990478e-01 -2.383990478e-01 2.74 -2.139989363e-01 -2.139989363e-01 2.76 -1.874500461e-01 -1.874500461e-01 2.78 -1.635358462e-01 -1.635358462e-01 2.80 -1.418135192e-01 -1.418135192e-01 2.82 -1.146201692e-01 -1.146201692e-01 2.84 -8.209938095e-02 -8.209938095e-02 2.86 -4.586061620e-02 -4.586061620e-02 2.88 -1.256359124e-02 -1.256359124e-02 2.90 1.332594045e-02 1.332594045e-02 2.92 3.158046169e-02 3.158046169e-02 2.94 4.338642399e-02 4.338642399e-02 2.96 5.013760071e-02 5.013760071e-02 2.98 5.308431778e-02 5.308431778e-02 3.00 5.334207409e-02 5.334207409e-02 3.02 5.190127767e-02 5.190127767e-02 3.04 4.920593820e-02 4.920593820e-02 3.06 4.552589334e-02 4.552589334e-02 3.08 4.114659319e-02 4.114659319e-02 3.10 3.635435385e-02 3.635435385e-02 3.12 3.143534592e-02 3.143534592e-02 3.14 2.661970542e-02 2.661970542e-02 3.16 2.199706243e-02 2.199706243e-02 3.18 1.763537803e-02 1.763537803e-02 3.20 1.360261329e-02 1.360261329e-02 3.22 9.966729319e-03 9.966729319e-03 3.24 6.795687177e-03 6.795687177e-03 3.26 4.157447951e-03 4.157447951e-03 3.28 2.120079351e-03 2.120079351e-03 3.30 7.556473466e-04 7.556473466e-04 3.32 1.222120402e-04 1.222120402e-04 3.34 5.045254222e-07 5.045254222e-07 3.36 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00