# 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 = CuFe2Pt # 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 2.062198550e+02 2.062198550e+02 1.30 1.895554265e+02 1.895554265e+02 1.32 1.741644881e+02 1.741644881e+02 1.34 1.599548690e+02 1.599548690e+02 1.36 1.468421395e+02 1.468421395e+02 1.38 1.347429718e+02 1.347429718e+02 1.40 1.235725886e+02 1.235725886e+02 1.42 1.132471524e+02 1.132471524e+02 1.44 1.036885301e+02 1.036885301e+02 1.46 9.482840437e+01 9.482840437e+01 1.48 8.660967752e+01 8.660967752e+01 1.50 7.898470595e+01 7.898470595e+01 1.52 7.191166601e+01 7.191166601e+01 1.54 6.535107579e+01 6.535107579e+01 1.56 5.926387505e+01 5.926387505e+01 1.58 5.361121679e+01 5.361121679e+01 1.60 4.835530339e+01 4.835530339e+01 1.62 4.346061801e+01 4.346061801e+01 1.64 3.889511208e+01 3.889511208e+01 1.66 3.465205785e+01 3.465205785e+01 1.68 3.077484520e+01 3.077484520e+01 1.70 2.724438793e+01 2.724438793e+01 1.72 2.403927855e+01 2.403927855e+01 1.74 2.113887376e+01 2.113887376e+01 1.76 1.852119282e+01 1.852119282e+01 1.78 1.616237545e+01 1.616237545e+01 1.80 1.403767042e+01 1.403767042e+01 1.82 1.212301988e+01 1.212301988e+01 1.84 1.039626322e+01 1.039626322e+01 1.86 8.837591475e+00 8.837591475e+00 1.88 7.429440428e+00 7.429440428e+00 1.90 6.156185309e+00 6.156185309e+00 1.92 5.003887954e+00 5.003887954e+00 1.94 3.960161638e+00 3.960161638e+00 1.96 3.014100757e+00 3.014100757e+00 1.98 2.156198888e+00 2.156198888e+00 2.00 1.378212303e+00 1.378212303e+00 2.02 6.729758753e-01 6.729758753e-01 2.04 3.421110485e-02 3.421110485e-02 2.06 -5.436378577e-01 -5.436378577e-01 2.08 -1.065531319e+00 -1.065531319e+00 2.10 -1.535934828e+00 -1.535934828e+00 2.12 -1.958903418e+00 -1.958903418e+00 2.14 -2.338149683e+00 -2.338149683e+00 2.16 -2.677093099e+00 -2.677093099e+00 2.18 -2.978893471e+00 -2.978893471e+00 2.20 -3.246476379e+00 -3.246476379e+00 2.22 -3.482556898e+00 -3.482556898e+00 2.24 -3.689662463e+00 -3.689662463e+00 2.26 -3.870152414e+00 -3.870152414e+00 2.28 -4.026232180e+00 -4.026232180e+00 2.30 -4.160305940e+00 -4.160305940e+00 2.32 -4.275712104e+00 -4.275712104e+00 2.34 -4.373867087e+00 -4.373867087e+00 2.36 -4.455907821e+00 -4.455907821e+00 2.38 -4.522927392e+00 -4.522927392e+00 2.40 -4.575969949e+00 -4.575969949e+00 2.42 -4.616038626e+00 -4.616038626e+00 2.44 -4.644111033e+00 -4.644111033e+00 2.46 -4.661156019e+00 -4.661156019e+00 2.48 -4.668147473e+00 -4.668147473e+00 2.50 -4.666072245e+00 -4.666072245e+00 2.52 -4.655928177e+00 -4.655928177e+00 2.54 -4.638707729e+00 -4.638707729e+00 2.56 -4.615366258e+00 -4.615366258e+00 2.58 -4.586822289e+00 -4.586822289e+00 2.60 -4.554063916e+00 -4.554063916e+00 2.62 -4.517507874e+00 -4.517507874e+00 2.64 -4.477406181e+00 -4.477406181e+00 2.66 -4.433950146e+00 -4.433950146e+00 2.68 -4.387287776e+00 -4.387287776e+00 2.70 -4.337543564e+00 -4.337543564e+00 2.72 -4.284833432e+00 -4.284833432e+00 2.74 -4.229251588e+00 -4.229251588e+00 2.76 -4.170713786e+00 -4.170713786e+00 2.78 -4.109081009e+00 -4.109081009e+00 2.80 -4.044259232e+00 -4.044259232e+00 2.82 -3.976196376e+00 -3.976196376e+00 2.84 -3.904885745e+00 -3.904885745e+00 2.86 -3.830374570e+00 -3.830374570e+00 2.88 -3.752774632e+00 -3.752774632e+00 2.90 -3.672271658e+00 -3.672271658e+00 2.92 -3.589130210e+00 -3.589130210e+00 2.94 -3.503691048e+00 -3.503691048e+00 2.96 -3.416358709e+00 -3.416358709e+00 2.98 -3.327595365e+00 -3.327595365e+00 3.00 -3.238060970e+00 -3.238060970e+00 3.02 -3.148465591e+00 -3.148465591e+00 3.04 -3.059393243e+00 -3.059393243e+00 3.06 -2.971285393e+00 -2.971285393e+00 3.08 -2.884446119e+00 -2.884446119e+00 3.10 -2.799063484e+00 -2.799063484e+00 3.12 -2.715240507e+00 -2.715240507e+00 3.14 -2.633028439e+00 -2.633028439e+00 3.16 -2.552456460e+00 -2.552456460e+00 3.18 -2.473554388e+00 -2.473554388e+00 3.20 -2.396367112e+00 -2.396367112e+00 3.22 -2.320961078e+00 -2.320961078e+00 3.24 -2.247424021e+00 -2.247424021e+00 3.26 -2.175859553e+00 -2.175859553e+00 3.28 -2.106378391e+00 -2.106378391e+00 3.30 -2.039087995e+00 -2.039087995e+00 3.32 -1.974082270e+00 -1.974082270e+00 3.34 -1.911432732e+00 -1.911432732e+00 3.36 -1.851182136e+00 -1.851182136e+00 3.38 -1.793341085e+00 -1.793341085e+00 3.40 -1.737887661e+00 -1.737887661e+00 3.42 -1.684769705e+00 -1.684769705e+00 3.44 -1.633909063e+00 -1.633909063e+00 3.46 -1.585207049e+00 -1.585207049e+00 3.48 -1.538550362e+00 -1.538550362e+00 3.50 -1.493816830e+00 -1.493816830e+00 3.52 -1.450880548e+00 -1.450880548e+00 3.54 -1.409616151e+00 -1.409616151e+00 3.56 -1.369902116e+00 -1.369902116e+00 3.58 -1.331623138e+00 -1.331623138e+00 3.60 -1.294671664e+00 -1.294671664e+00 3.62 -1.258948740e+00 -1.258948740e+00 3.64 -1.224364323e+00 -1.224364323e+00 3.66 -1.190837194e+00 -1.190837194e+00 3.68 -1.158294601e+00 -1.158294601e+00 3.70 -1.126671714e+00 -1.126671714e+00 3.72 -1.095910960e+00 -1.095910960e+00 3.74 -1.065961270e+00 -1.065961270e+00 3.76 -1.036777257e+00 -1.036777257e+00 3.78 -1.008318327e+00 -1.008318327e+00 3.80 -9.805477406e-01 -9.805477406e-01 3.82 -9.534316370e-01 -9.534316370e-01 3.84 -9.269380621e-01 -9.269380621e-01 3.86 -9.010360601e-01 -9.010360601e-01 3.88 -8.756948982e-01 -8.756948982e-01 3.90 -8.508834964e-01 -8.508834964e-01 3.92 -8.265701231e-01 -8.265701231e-01 3.94 -8.027223978e-01 -8.027223978e-01 3.96 -7.793075962e-01 -7.793075962e-01 3.98 -7.562932578e-01 -7.562932578e-01 4.00 -7.336480677e-01 -7.336480677e-01 4.02 -7.113429257e-01 -7.113429257e-01 4.04 -6.893521484e-01 -6.893521484e-01 4.06 -6.676552459e-01 -6.676552459e-01 4.08 -6.462374558e-01 -6.462374558e-01 4.10 -6.250897550e-01 -6.250897550e-01 4.12 -6.042112300e-01 -6.042112300e-01 4.14 -5.836090826e-01 -5.836090826e-01 4.16 -5.632981414e-01 -5.632981414e-01 4.18 -5.432997759e-01 -5.432997759e-01 4.20 -5.236402470e-01 -5.236402470e-01 4.22 -5.043486100e-01 -5.043486100e-01 4.24 -4.854543945e-01 -4.854543945e-01 4.26 -4.669853469e-01 -4.669853469e-01 4.28 -4.489655264e-01 -4.489655264e-01 4.30 -4.314139803e-01 -4.314139803e-01 4.32 -4.143441126e-01 -4.143441126e-01 4.34 -3.977637198e-01 -3.977637198e-01 4.36 -3.816755452e-01 -3.816755452e-01 4.38 -3.660781185e-01 -3.660781185e-01 4.40 -3.509666277e-01 -3.509666277e-01 4.42 -3.363336044e-01 -3.363336044e-01 4.44 -3.221692884e-01 -3.221692884e-01 4.46 -3.084616373e-01 -3.084616373e-01 4.48 -2.951960482e-01 -2.951960482e-01 4.50 -2.823549344e-01 -2.823549344e-01 4.52 -2.699172920e-01 -2.699172920e-01 4.54 -2.578583847e-01 -2.578583847e-01 4.56 -2.461503763e-01 -2.461503763e-01 4.58 -2.347624610e-01 -2.347624610e-01 4.60 -2.236617671e-01 -2.236617671e-01 4.62 -2.128146828e-01 -2.128146828e-01 4.64 -2.021884352e-01 -2.021884352e-01 4.66 -1.917528132e-01 -1.917528132e-01 4.68 -1.814819188e-01 -1.814819188e-01 4.70 -1.713558216e-01 -1.713558216e-01 4.72 -1.613619966e-01 -1.613619966e-01 4.74 -1.514964280e-01 -1.514964280e-01 4.76 -1.417642720e-01 -1.417642720e-01 4.78 -1.321799885e-01 -1.321799885e-01 4.80 -1.227668785e-01 -1.227668785e-01 4.82 -1.135560120e-01 -1.135560120e-01 4.84 -1.045845734e-01 -1.045845734e-01 4.86 -9.589373284e-02 -9.589373284e-02 4.88 -8.752619056e-02 -8.752619056e-02 4.90 -7.952360207e-02 -7.952360207e-02 4.92 -7.192410472e-02 -7.192410472e-02 4.94 -6.476016003e-02 -6.476016003e-02 4.96 -5.805688518e-02 -5.805688518e-02 4.98 -5.183098410e-02 -5.183098410e-02 5.00 -4.609031450e-02 -4.609031450e-02 5.02 -4.083405529e-02 -4.083405529e-02 5.04 -3.605338092e-02 -3.605338092e-02 5.06 -3.173251297e-02 -3.173251297e-02 5.08 -2.785000497e-02 -2.785000497e-02 5.10 -2.438011654e-02 -2.438011654e-02 5.12 -2.129417803e-02 -2.129417803e-02 5.14 -1.856184252e-02 -1.856184252e-02 5.16 -1.615210404e-02 -1.615210404e-02 5.18 -1.403362789e-02 -1.403362789e-02 5.20 -1.217715379e-02 -1.217715379e-02 5.22 -1.055498210e-02 -1.055498210e-02 5.24 -9.141037530e-03 -9.141037530e-03 5.26 -7.911163535e-03 -7.911163535e-03 5.28 -6.843269595e-03 -6.843269595e-03 5.30 -5.917368352e-03 -5.917368352e-03 5.32 -5.115533748e-03 -5.115533748e-03 5.34 -4.421805548e-03 -4.421805548e-03 5.36 -3.822060171e-03 -3.822060171e-03 5.38 -3.303862887e-03 -3.303862887e-03 5.40 -2.856312464e-03 -2.856312464e-03 5.42 -2.469886059e-03 -2.469886059e-03 5.44 -2.136289645e-03 -2.136289645e-03 5.46 -1.848317294e-03 -1.848317294e-03 5.48 -1.599721231e-03 -1.599721231e-03 5.50 -1.385093544e-03 -1.385093544e-03 5.52 -1.199759687e-03 -1.199759687e-03 5.54 -1.039683482e-03 -1.039683482e-03 5.56 -9.013829738e-04 -9.013829738e-04 5.58 -7.818563435e-04 -7.818563435e-04 5.60 -6.785169936e-04 -6.785169936e-04 5.62 -5.891368962e-04 -5.891368962e-04 5.64 -5.117973143e-04 -5.117973143e-04 5.66 -4.448460516e-04 -4.448460516e-04 5.68 -3.868604494e-04 -3.868604494e-04 5.70 -3.366154155e-04 -3.366154155e-04 5.72 -2.930558425e-04 -2.930558425e-04 5.74 -2.552728395e-04 -2.552728395e-04 5.76 -2.224832717e-04 -2.224832717e-04 5.78 -1.940121576e-04 -1.940121576e-04 5.80 -1.692775358e-04 -1.692775358e-04 5.82 -1.477774588e-04 -1.477774588e-04 5.84 -1.290788173e-04 -1.290788173e-04 5.86 -1.128077403e-04 -1.128077403e-04 5.88 -9.864134783e-05 -9.864134783e-05 5.90 -8.630066697e-05 -8.630066697e-05 5.92 -7.554454476e-05 -7.554454476e-05 5.94 -6.616441821e-05 -6.616441821e-05 5.96 -5.797981903e-05 -5.797981903e-05 5.98 -5.083450904e-05 -5.083450904e-05 6.00 -4.459315670e-05 -4.459315670e-05