# 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 = Cu2FeMg # 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 1.837431934e+02 1.837431934e+02 1.30 1.688050454e+02 1.688050454e+02 1.32 1.550754375e+02 1.550754375e+02 1.34 1.424451716e+02 1.424451716e+02 1.36 1.308181415e+02 1.308181415e+02 1.38 1.201104899e+02 1.201104899e+02 1.40 1.102483289e+02 1.102483289e+02 1.42 1.011654565e+02 1.011654565e+02 1.44 9.280150628e+01 9.280150628e+01 1.46 8.510056374e+01 8.510056374e+01 1.48 7.801033904e+01 7.801033904e+01 1.50 7.148196766e+01 7.148196766e+01 1.52 6.547024373e+01 6.547024373e+01 1.54 5.993368971e+01 5.993368971e+01 1.56 5.483434963e+01 5.483434963e+01 1.58 5.013727082e+01 5.013727082e+01 1.60 4.581058504e+01 4.581058504e+01 1.62 4.182549577e+01 4.182549577e+01 1.64 3.815597690e+01 3.815597690e+01 1.66 3.477831533e+01 3.477831533e+01 1.68 3.167047556e+01 3.167047556e+01 1.70 2.881152923e+01 2.881152923e+01 1.72 2.618132983e+01 2.618132983e+01 1.74 2.376052633e+01 2.376052633e+01 1.76 2.153087361e+01 2.153087361e+01 1.78 1.947566144e+01 1.947566144e+01 1.80 1.758002894e+01 1.758002894e+01 1.82 1.583102055e+01 1.583102055e+01 1.84 1.421737328e+01 1.421737328e+01 1.86 1.272915759e+01 1.272915759e+01 1.88 1.135740815e+01 1.135740815e+01 1.90 1.009384267e+01 1.009384267e+01 1.92 8.930691699e+00 8.930691699e+00 1.94 7.860624346e+00 7.860624346e+00 1.96 6.876734941e+00 6.876734941e+00 1.98 5.972557525e+00 5.972557525e+00 2.00 5.142075951e+00 5.142075951e+00 2.02 4.379716046e+00 4.379716046e+00 2.04 3.680325268e+00 3.680325268e+00 2.06 3.039148808e+00 3.039148808e+00 2.08 2.451805943e+00 2.451805943e+00 2.10 1.914266275e+00 1.914266275e+00 2.12 1.422823233e+00 1.422823233e+00 2.14 9.740626399e-01 9.740626399e-01 2.16 5.648269424e-01 5.648269424e-01 2.18 1.921748737e-01 1.921748737e-01 2.20 -1.466574326e-01 -1.466574326e-01 2.22 -4.542899529e-01 -4.542899529e-01 2.24 -7.332207861e-01 -7.332207861e-01 2.26 -9.858381169e-01 -9.858381169e-01 2.28 -1.214426451e+00 -1.214426451e+00 2.30 -1.421164700e+00 -1.421164700e+00 2.32 -1.608115499e+00 -1.608115499e+00 2.34 -1.777194315e+00 -1.777194315e+00 2.36 -1.930129576e+00 -1.930129576e+00 2.38 -2.068426264e+00 -2.068426264e+00 2.40 -2.193353030e+00 -2.193353030e+00 2.42 -2.305960826e+00 -2.305960826e+00 2.44 -2.407126953e+00 -2.407126953e+00 2.46 -2.497976912e+00 -2.497976912e+00 2.48 -2.579135435e+00 -2.579135435e+00 2.50 -2.650678963e+00 -2.650678963e+00 2.52 -2.712772641e+00 -2.712772641e+00 2.54 -2.765658396e+00 -2.765658396e+00 2.56 -2.809640578e+00 -2.809640578e+00 2.58 -2.845071705e+00 -2.845071705e+00 2.60 -2.872296816e+00 -2.872296816e+00 2.62 -2.891673601e+00 -2.891673601e+00 2.64 -2.903633034e+00 -2.903633034e+00 2.66 -2.908644493e+00 -2.908644493e+00 2.68 -2.907214258e+00 -2.907214258e+00 2.70 -2.899880756e+00 -2.899880756e+00 2.72 -2.887203667e+00 -2.887203667e+00 2.74 -2.869745723e+00 -2.869745723e+00 2.76 -2.848049541e+00 -2.848049541e+00 2.78 -2.822614543e+00 -2.822614543e+00 2.80 -2.793880559e+00 -2.793880559e+00 2.82 -2.762220069e+00 -2.762220069e+00 2.84 -2.727942157e+00 -2.727942157e+00 2.86 -2.691303211e+00 -2.691303211e+00 2.88 -2.652520997e+00 -2.652520997e+00 2.90 -2.611788102e+00 -2.611788102e+00 2.92 -2.569299279e+00 -2.569299279e+00 2.94 -2.525225615e+00 -2.525225615e+00 2.96 -2.479698343e+00 -2.479698343e+00 2.98 -2.432855094e+00 -2.432855094e+00 3.00 -2.384836576e+00 -2.384836576e+00 3.02 -2.335782712e+00 -2.335782712e+00 3.04 -2.285829184e+00 -2.285829184e+00 3.06 -2.235095578e+00 -2.235095578e+00 3.08 -2.183665149e+00 -2.183665149e+00 3.10 -2.131622887e+00 -2.131622887e+00 3.12 -2.079061353e+00 -2.079061353e+00 3.14 -2.026081042e+00 -2.026081042e+00 3.16 -1.972789724e+00 -1.972789724e+00 3.18 -1.919304886e+00 -1.919304886e+00 3.20 -1.865754864e+00 -1.865754864e+00 3.22 -1.812279669e+00 -1.812279669e+00 3.24 -1.759030723e+00 -1.759030723e+00 3.26 -1.706169077e+00 -1.706169077e+00 3.28 -1.653861887e+00 -1.653861887e+00 3.30 -1.602277186e+00 -1.602277186e+00 3.32 -1.551577357e+00 -1.551577357e+00 3.34 -1.501912048e+00 -1.501912048e+00 3.36 -1.453411483e+00 -1.453411483e+00 3.38 -1.406181100e+00 -1.406181100e+00 3.40 -1.360298129e+00 -1.360298129e+00 3.42 -1.315810717e+00 -1.315810717e+00 3.44 -1.272738611e+00 -1.272738611e+00 3.46 -1.231076126e+00 -1.231076126e+00 3.48 -1.190795893e+00 -1.190795893e+00 3.50 -1.151853208e+00 -1.151853208e+00 3.52 -1.114190410e+00 -1.114190410e+00 3.54 -1.077740978e+00 -1.077740978e+00 3.56 -1.042433144e+00 -1.042433144e+00 3.58 -1.008192975e+00 -1.008192975e+00 3.60 -9.749469426e-01 -9.749469426e-01 3.62 -9.426240850e-01 -9.426240850e-01 3.64 -9.111578671e-01 -9.111578671e-01 3.66 -8.804878516e-01 -8.804878516e-01 3.68 -8.505612629e-01 -8.505612629e-01 3.70 -8.213344686e-01 -8.213344686e-01 3.72 -7.927743391e-01 -7.927743391e-01 3.74 -7.648593663e-01 -7.648593663e-01 3.76 -7.375803533e-01 -7.375803533e-01 3.78 -7.109404453e-01 -7.109404453e-01 3.80 -6.849542764e-01 -6.849542764e-01 3.82 -6.596460816e-01 -6.596460816e-01 3.84 -6.350467662e-01 -6.350467662e-01 3.86 -6.111901150e-01 -6.111901150e-01 3.88 -5.881085209e-01 -5.881085209e-01 3.90 -5.658287487e-01 -5.658287487e-01 3.92 -5.443681671e-01 -5.443681671e-01 3.94 -5.237326403e-01 -5.237326403e-01 3.96 -5.039144428e-01 -5.039144428e-01 3.98 -4.848928511e-01 -4.848928511e-01 4.00 -4.666351651e-01 -4.666351651e-01 4.02 -4.490986809e-01 -4.490986809e-01 4.04 -4.322330830e-01 -4.322330830e-01 4.06 -4.159829143e-01 -4.159829143e-01 4.08 -4.002898699e-01 -4.002898699e-01 4.10 -3.850944987e-01 -3.850944987e-01 4.12 -3.703389765e-01 -3.703389765e-01 4.14 -3.559665596e-01 -3.559665596e-01 4.16 -3.419239138e-01 -3.419239138e-01 4.18 -3.281616436e-01 -3.281616436e-01 4.20 -3.146351051e-01 -3.146351051e-01 4.22 -3.013052326e-01 -3.013052326e-01 4.24 -2.881394261e-01 -2.881394261e-01 4.26 -2.751125159e-01 -2.751125159e-01 4.28 -2.622077719e-01 -2.622077719e-01 4.30 -2.494178874e-01 -2.494178874e-01 4.32 -2.367458210e-01 -2.367458210e-01 4.34 -2.242053477e-01 -2.242053477e-01 4.36 -2.118211540e-01 -2.118211540e-01 4.38 -1.996283210e-01 -1.996283210e-01 4.40 -1.876710822e-01 -1.876710822e-01 4.42 -1.760008209e-01 -1.760008209e-01 4.44 -1.646733730e-01 -1.646733730e-01 4.46 -1.537458181e-01 -1.537458181e-01 4.48 -1.432730352e-01 -1.432730352e-01 4.50 -1.333043641e-01 -1.333043641e-01 4.52 -1.238807105e-01 -1.238807105e-01 4.54 -1.150323805e-01 -1.150323805e-01 4.56 -1.067778215e-01 -1.067778215e-01 4.58 -9.912331737e-02 -9.912331737e-02 4.60 -9.206356287e-02 -9.206356287e-02 4.62 -8.558294673e-02 -8.558294673e-02 4.64 -7.965730230e-02 -7.965730230e-02 4.66 -7.425589370e-02 -7.425589370e-02 4.68 -6.934346036e-02 -6.934346036e-02 4.70 -6.488210076e-02 -6.488210076e-02 4.72 -6.083202990e-02 -6.083202990e-02 4.74 -5.715479480e-02 -5.715479480e-02 4.76 -5.381395309e-02 -5.381395309e-02 4.78 -5.077470366e-02 -5.077470366e-02 4.80 -4.800433281e-02 -4.800433281e-02 4.82 -4.547343950e-02 -4.547343950e-02 4.84 -4.315473082e-02 -4.315473082e-02 4.86 -4.102396511e-02 -4.102396511e-02 4.88 -3.905959151e-02 -3.905959151e-02 4.90 -3.724257522e-02 -3.724257522e-02 4.92 -3.555618680e-02 -3.555618680e-02 4.94 -3.398571401e-02 -3.398571401e-02 4.96 -3.251833248e-02 -3.251833248e-02 4.98 -3.114291927e-02 -3.114291927e-02 5.00 -2.984977180e-02 -2.984977180e-02 5.02 -2.863042653e-02 -2.863042653e-02 5.04 -2.747749546e-02 -2.747749546e-02 5.06 -2.638452082e-02 -2.638452082e-02 5.08 -2.534584748e-02 -2.534584748e-02 5.10 -2.435651229e-02 -2.435651229e-02 5.12 -2.341214888e-02 -2.341214888e-02 5.14 -2.250890686e-02 -2.250890686e-02 5.16 -2.164338387e-02 -2.164338387e-02 5.18 -2.081256922e-02 -2.081256922e-02 5.20 -2.001379794e-02 -2.001379794e-02 5.22 -1.924471394e-02 -1.924471394e-02 5.24 -1.850324117e-02 -1.850324117e-02 5.26 -1.778756153e-02 -1.778756153e-02 5.28 -1.709609821e-02 -1.709609821e-02 5.30 -1.642750312e-02 -1.642750312e-02 5.32 -1.578064682e-02 -1.578064682e-02 5.34 -1.515460872e-02 -1.515460872e-02 5.36 -1.454864450e-02 -1.454864450e-02 5.38 -1.396221104e-02 -1.396221104e-02 5.40 -1.339494890e-02 -1.339494890e-02 5.42 -1.284664429e-02 -1.284664429e-02 5.44 -1.231720115e-02 -1.231720115e-02 5.46 -1.180660795e-02 -1.180660795e-02 5.48 -1.131490056e-02 -1.131490056e-02 5.50 -1.084212325e-02 -1.084212325e-02 5.52 -1.038829072e-02 -1.038829072e-02 5.54 -9.953353834e-03 -9.953353834e-03 5.56 -9.537171826e-03 -9.537171826e-03 5.58 -9.139492957e-03 -9.139492957e-03 5.60 -8.759944597e-03 -8.759944597e-03 5.62 -8.398032704e-03 -8.398032704e-03 5.64 -8.053149674e-03 -8.053149674e-03 5.66 -7.724588796e-03 -7.724588796e-03 5.68 -7.411563162e-03 -7.411563162e-03 5.70 -7.113226815e-03 -7.113226815e-03 5.72 -6.828696138e-03 -6.828696138e-03 5.74 -6.557069917e-03 -6.557069917e-03 5.76 -6.297446973e-03 -6.297446973e-03 5.78 -6.048940770e-03 -6.048940770e-03 5.80 -5.810690816e-03 -5.810690816e-03 5.82 -5.581871003e-03 -5.581871003e-03 5.84 -5.361695228e-03 -5.361695228e-03 5.86 -5.149420806e-03 -5.149420806e-03 5.88 -4.944350178e-03 -4.944350178e-03 5.90 -4.745831455e-03 -4.745831455e-03 5.92 -4.553258265e-03 -4.553258265e-03 5.94 -4.366069328e-03 -4.366069328e-03 5.96 -4.183748105e-03 -4.183748105e-03 5.98 -4.005822784e-03 -4.005822784e-03 6.00 -3.831866796e-03 -3.831866796e-03