# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-As # implementation = 2026--Park-J-H--Fe-Cu-As--LAMMPS--ipr1 # composition = AsCuFe2 # 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 2026-06-16 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 2.809695154e+02 2.809695154e+02 0.86 2.642828198e+02 2.642828198e+02 0.88 2.485080339e+02 2.485080339e+02 0.90 2.335978845e+02 2.335978845e+02 0.92 2.195074545e+02 2.195074545e+02 0.94 2.061940695e+02 2.061940695e+02 0.96 1.936171899e+02 1.936171899e+02 0.98 1.817383070e+02 1.817383070e+02 1.00 1.705208452e+02 1.705208452e+02 1.02 1.599300680e+02 1.599300680e+02 1.04 1.499329882e+02 1.499329882e+02 1.06 1.404982832e+02 1.404982832e+02 1.08 1.315962135e+02 1.315962135e+02 1.10 1.231985453e+02 1.231985453e+02 1.12 1.152784767e+02 1.152784767e+02 1.14 1.078105678e+02 1.078105678e+02 1.16 1.007706732e+02 1.007706732e+02 1.18 9.413587863e+01 9.413587863e+01 1.20 8.788444020e+01 8.788444020e+01 1.22 8.199572660e+01 8.199572660e+01 1.24 7.645016404e+01 7.645016404e+01 1.26 7.122918387e+01 7.122918387e+01 1.28 6.631517279e+01 6.631517279e+01 1.30 6.169142532e+01 6.169142532e+01 1.32 5.734209870e+01 5.734209870e+01 1.34 5.325216990e+01 5.325216990e+01 1.36 4.940739477e+01 4.940739477e+01 1.38 4.579426911e+01 4.579426911e+01 1.40 4.239999168e+01 4.239999168e+01 1.42 3.921242904e+01 3.921242904e+01 1.44 3.622008202e+01 3.622008202e+01 1.46 3.341205394e+01 3.341205394e+01 1.48 3.077802028e+01 3.077802028e+01 1.50 2.830819989e+01 2.830819989e+01 1.52 2.599332764e+01 2.599332764e+01 1.54 2.382462833e+01 2.382462833e+01 1.56 2.179379196e+01 2.179379196e+01 1.58 1.989295018e+01 1.989295018e+01 1.60 1.811465389e+01 1.811465389e+01 1.62 1.645185195e+01 1.645185195e+01 1.64 1.489787099e+01 1.489787099e+01 1.66 1.344639611e+01 1.344639611e+01 1.68 1.209145262e+01 1.209145262e+01 1.70 1.082738868e+01 1.082738868e+01 1.72 9.648858720e+00 9.648858720e+00 1.74 8.550807762e+00 8.550807762e+00 1.76 7.528456489e+00 7.528456489e+00 1.78 6.577287038e+00 6.577287038e+00 1.80 5.693029523e+00 5.693029523e+00 1.82 4.871649204e+00 4.871649204e+00 1.84 4.109334314e+00 4.109334314e+00 1.86 3.402484472e+00 3.402484472e+00 1.88 2.747699686e+00 2.747699686e+00 1.90 2.141769898e+00 2.141769898e+00 1.92 1.581665048e+00 1.581665048e+00 1.94 1.064525645e+00 1.064525645e+00 1.96 5.876537914e-01 5.876537914e-01 1.98 1.485046762e-01 1.485046762e-01 2.00 -2.553215228e-01 -2.553215228e-01 2.02 -6.260873142e-01 -6.260873142e-01 2.04 -9.659251989e-01 -9.659251989e-01 2.06 -1.276844592e+00 -1.276844592e+00 2.08 -1.560738408e+00 -1.560738408e+00 2.10 -1.819389308e+00 -1.819389308e+00 2.12 -2.054475627e+00 -2.054475627e+00 2.14 -2.267577012e+00 -2.267577012e+00 2.16 -2.460179758e+00 -2.460179758e+00 2.18 -2.633681888e+00 -2.633681888e+00 2.20 -2.789397959e+00 -2.789397959e+00 2.22 -2.928563636e+00 -2.928563636e+00 2.24 -3.052340021e+00 -3.052340021e+00 2.26 -3.161817764e+00 -3.161817764e+00 2.28 -3.258020964e+00 -3.258020964e+00 2.30 -3.341910862e+00 -3.341910862e+00 2.32 -3.414389350e+00 -3.414389350e+00 2.34 -3.476302297e+00 -3.476302297e+00 2.36 -3.528442693e+00 -3.528442693e+00 2.38 -3.571553640e+00 -3.571553640e+00 2.40 -3.606331184e+00 -3.606331184e+00 2.42 -3.633426991e+00 -3.633426991e+00 2.44 -3.653450889e+00 -3.653450889e+00 2.46 -3.666973276e+00 -3.666973276e+00 2.48 -3.674527395e+00 -3.674527395e+00 2.50 -3.676611494e+00 -3.676611494e+00 2.52 -3.673690865e+00 -3.673690865e+00 2.54 -3.666199779e+00 -3.666199779e+00 2.56 -3.654543313e+00 -3.654543313e+00 2.58 -3.639099081e+00 -3.639099081e+00 2.60 -3.620218868e+00 -3.620218868e+00 2.62 -3.598230184e+00 -3.598230184e+00 2.64 -3.573437716e+00 -3.573437716e+00 2.66 -3.546124723e+00 -3.546124723e+00 2.68 -3.516554333e+00 -3.516554333e+00 2.70 -3.484970783e+00 -3.484970783e+00 2.72 -3.451600583e+00 -3.451600583e+00 2.74 -3.416653618e+00 -3.416653618e+00 2.76 -3.380324187e+00 -3.380324187e+00 2.78 -3.342791985e+00 -3.342791985e+00 2.80 -3.304223028e+00 -3.304223028e+00 2.82 -3.264770526e+00 -3.264770526e+00 2.84 -3.224575706e+00 -3.224575706e+00 2.86 -3.183768592e+00 -3.183768592e+00 2.88 -3.142468730e+00 -3.142468730e+00 2.90 -3.100785885e+00 -3.100785885e+00 2.92 -3.058820684e+00 -3.058820684e+00 2.94 -3.016665229e+00 -3.016665229e+00 2.96 -2.974403675e+00 -2.974403675e+00 2.98 -2.932112769e+00 -2.932112769e+00 3.00 -2.889862357e+00 -2.889862357e+00 3.02 -2.847715869e+00 -2.847715869e+00 3.04 -2.805730761e+00 -2.805730761e+00 3.06 -2.763958946e+00 -2.763958946e+00 3.08 -2.722447184e+00 -2.722447184e+00 3.10 -2.681237457e+00 -2.681237457e+00 3.12 -2.640367322e+00 -2.640367322e+00 3.14 -2.599870233e+00 -2.599870233e+00 3.16 -2.559775854e+00 -2.559775854e+00 3.18 -2.520110342e+00 -2.520110342e+00 3.20 -2.480896622e+00 -2.480896622e+00 3.22 -2.442154635e+00 -2.442154635e+00 3.24 -2.403901576e+00 -2.403901576e+00 3.26 -2.366152118e+00 -2.366152118e+00 3.28 -2.328918612e+00 -2.328918612e+00 3.30 -2.292211287e+00 -2.292211287e+00 3.32 -2.256038424e+00 -2.256038424e+00 3.34 -2.220406528e+00 -2.220406528e+00 3.36 -2.185320483e+00 -2.185320483e+00 3.38 -2.150783624e+00 -2.150783624e+00 3.40 -2.116340934e+00 -2.116340934e+00 3.42 -2.077889401e+00 -2.077889401e+00 3.44 -2.028065256e+00 -2.028065256e+00 3.46 -1.972199311e+00 -1.972199311e+00 3.48 -1.940889129e+00 -1.940889129e+00 3.50 -1.911643348e+00 -1.911643348e+00 3.52 -1.882879197e+00 -1.882879197e+00 3.54 -1.854593261e+00 -1.854593261e+00 3.56 -1.826781650e+00 -1.826781650e+00 3.58 -1.799440055e+00 -1.799440055e+00 3.60 -1.772563808e+00 -1.772563808e+00 3.62 -1.746147924e+00 -1.746147924e+00 3.64 -1.720187153e+00 -1.720187153e+00 3.66 -1.694676017e+00 -1.694676017e+00 3.68 -1.669608850e+00 -1.669608850e+00 3.70 -1.644979832e+00 -1.644979832e+00 3.72 -1.620783022e+00 -1.620783022e+00 3.74 -1.597012382e+00 -1.597012382e+00 3.76 -1.573661810e+00 -1.573661810e+00 3.78 -1.550725158e+00 -1.550725158e+00 3.80 -1.528196251e+00 -1.528196251e+00 3.82 -1.506068913e+00 -1.506068913e+00 3.84 -1.484336975e+00 -1.484336975e+00 3.86 -1.462994297e+00 -1.462994297e+00 3.88 -1.442034773e+00 -1.442034773e+00 3.90 -1.421452348e+00 -1.421452348e+00 3.92 -1.398362757e+00 -1.398362757e+00 3.94 -1.335804367e+00 -1.335804367e+00 3.96 -1.133258399e+00 -1.133258399e+00 3.98 -6.419157820e-01 -6.419157820e-01 4.00 -3.923458371e-22 -3.926162723e-22 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 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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