# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Al-Mn # implementation = 2025--Sharifi-H--Cu-Al-Mn--LAMMPS--ipr1 # composition = AlCu2Mn # 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 2025-07-01 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 6.992736539e+02 6.992736539e+02 1.00 6.301689672e+02 6.301689672e+02 1.02 5.645620924e+02 5.645620924e+02 1.04 5.035087075e+02 5.035087075e+02 1.06 4.475267986e+02 4.475267986e+02 1.08 3.967655338e+02 3.967655338e+02 1.10 3.511300447e+02 3.511300447e+02 1.12 3.103719328e+02 3.103719328e+02 1.14 2.741537270e+02 2.741537270e+02 1.16 2.420938140e+02 2.420938140e+02 1.18 2.137969034e+02 2.137969034e+02 1.20 1.888739938e+02 1.888739938e+02 1.22 1.669548082e+02 1.669548082e+02 1.24 1.476949425e+02 1.476949425e+02 1.26 1.307793728e+02 1.307793728e+02 1.28 1.159235225e+02 1.159235225e+02 1.30 1.028727546e+02 1.028727546e+02 1.32 9.140088882e+01 9.140088882e+01 1.34 8.130817856e+01 8.130817856e+01 1.36 7.241900525e+01 7.241900525e+01 1.38 6.457949619e+01 6.457949619e+01 1.40 5.765521831e+01 5.765521831e+01 1.42 5.152899537e+01 5.152899537e+01 1.44 4.609888297e+01 4.609888297e+01 1.46 4.127631422e+01 4.127631422e+01 1.48 3.698443398e+01 3.698443398e+01 1.50 3.315662025e+01 3.315662025e+01 1.52 2.973516192e+01 2.973516192e+01 1.54 2.667009459e+01 2.667009459e+01 1.56 2.391817286e+01 2.391817286e+01 1.58 2.144196277e+01 2.144196277e+01 1.60 1.920905239e+01 1.920905239e+01 1.62 1.719132315e+01 1.719132315e+01 1.64 1.536434059e+01 1.536434059e+01 1.66 1.370685972e+01 1.370685972e+01 1.68 1.220039658e+01 1.220039658e+01 1.70 1.082885606e+01 1.082885606e+01 1.72 9.578208785e+00 9.578208785e+00 1.74 8.436211148e+00 8.436211148e+00 1.76 7.392165871e+00 7.392165871e+00 1.78 6.436748464e+00 6.436748464e+00 1.80 5.561797694e+00 5.561797694e+00 1.82 4.760086347e+00 4.760086347e+00 1.84 4.025170995e+00 4.025170995e+00 1.86 3.351288191e+00 3.351288191e+00 1.88 2.733255879e+00 2.733255879e+00 1.90 2.166404491e+00 2.166404491e+00 1.92 1.646517762e+00 1.646517762e+00 1.94 1.169779474e+00 1.169779474e+00 1.96 7.327088598e-01 7.327088598e-01 1.98 3.321107636e-01 3.321107636e-01 2.00 -3.488679888e-02 -3.488679888e-02 2.02 -3.708626623e-01 -3.708626623e-01 2.04 -6.781913127e-01 -6.781913127e-01 2.06 -9.590024085e-01 -9.590024085e-01 2.08 -1.215241775e+00 -1.215241775e+00 2.10 -1.448720595e+00 -1.448720595e+00 2.12 -1.661123951e+00 -1.661123951e+00 2.14 -1.854018745e+00 -1.854018745e+00 2.16 -2.028861299e+00 -2.028861299e+00 2.18 -2.187004625e+00 -2.187004625e+00 2.20 -2.329705322e+00 -2.329705322e+00 2.22 -2.458130118e+00 -2.458130118e+00 2.24 -2.573366332e+00 -2.573366332e+00 2.26 -2.676432603e+00 -2.676432603e+00 2.28 -2.768273570e+00 -2.768273570e+00 2.30 -2.849763561e+00 -2.849763561e+00 2.32 -2.921711722e+00 -2.921711722e+00 2.34 -2.984866782e+00 -2.984866782e+00 2.36 -3.039921477e+00 -3.039921477e+00 2.38 -3.087516672e+00 -3.087516672e+00 2.40 -3.128245228e+00 -3.128245228e+00 2.42 -3.162643334e+00 -3.162643334e+00 2.44 -3.191155637e+00 -3.191155637e+00 2.46 -3.214186850e+00 -3.214186850e+00 2.48 -3.232121061e+00 -3.232121061e+00 2.50 -3.245322695e+00 -3.245322695e+00 2.52 -3.254136960e+00 -3.254136960e+00 2.54 -3.258890793e+00 -3.258890793e+00 2.56 -3.259893738e+00 -3.259893738e+00 2.58 -3.257438723e+00 -3.257438723e+00 2.60 -3.251802717e+00 -3.251802717e+00 2.62 -3.243247295e+00 -3.243247295e+00 2.64 -3.232019089e+00 -3.232019089e+00 2.66 -3.218350167e+00 -3.218350167e+00 2.68 -3.202458356e+00 -3.202458356e+00 2.70 -3.184547515e+00 -3.184547515e+00 2.72 -3.164807824e+00 -3.164807824e+00 2.74 -3.143416093e+00 -3.143416093e+00 2.76 -3.120536147e+00 -3.120536147e+00 2.78 -3.096319329e+00 -3.096319329e+00 2.80 -3.070905131e+00 -3.070905131e+00 2.82 -3.044421970e+00 -3.044421970e+00 2.84 -3.016988096e+00 -3.016988096e+00 2.86 -2.988712591e+00 -2.988712591e+00 2.88 -2.959696393e+00 -2.959696393e+00 2.90 -2.930033300e+00 -2.930033300e+00 2.92 -2.899810864e+00 -2.899810864e+00 2.94 -2.869111154e+00 -2.869111154e+00 2.96 -2.838011339e+00 -2.838011339e+00 2.98 -2.806584113e+00 -2.806584113e+00 3.00 -2.774897956e+00 -2.774897956e+00 3.02 -2.742984261e+00 -2.742984261e+00 3.04 -2.710511041e+00 -2.710511041e+00 3.06 -2.677437186e+00 -2.677437186e+00 3.08 -2.645374476e+00 -2.645374476e+00 3.10 -2.613351151e+00 -2.613351151e+00 3.12 -2.581392183e+00 -2.581392183e+00 3.14 -2.549539015e+00 -2.549539015e+00 3.16 -2.517829539e+00 -2.517829539e+00 3.18 -2.486298264e+00 -2.486298264e+00 3.20 -2.454976501e+00 -2.454976501e+00 3.22 -2.423892557e+00 -2.423892557e+00 3.24 -2.393071918e+00 -2.393071918e+00 3.26 -2.362537439e+00 -2.362537439e+00 3.28 -2.332309517e+00 -2.332309517e+00 3.30 -2.302406259e+00 -2.302406259e+00 3.32 -2.272843641e+00 -2.272843641e+00 3.34 -2.243635659e+00 -2.243635659e+00 3.36 -2.214794468e+00 -2.214794468e+00 3.38 -2.186330520e+00 -2.186330520e+00 3.40 -2.158252687e+00 -2.158252687e+00 3.42 -2.130568379e+00 -2.130568379e+00 3.44 -2.103283659e+00 -2.103283659e+00 3.46 -2.076403343e+00 -2.076403343e+00 3.48 -2.049931102e+00 -2.049931102e+00 3.50 -2.023869553e+00 -2.023869553e+00 3.52 -1.998220346e+00 -1.998220346e+00 3.54 -1.972984245e+00 -1.972984245e+00 3.56 -1.948161203e+00 -1.948161203e+00 3.58 -1.923750433e+00 -1.923750433e+00 3.60 -1.899750473e+00 -1.899750473e+00 3.62 -1.876159252e+00 -1.876159252e+00 3.64 -1.852974141e+00 -1.852974141e+00 3.66 -1.830192012e+00 -1.830192012e+00 3.68 -1.807809283e+00 -1.807809283e+00 3.70 -1.785821965e+00 -1.785821965e+00 3.72 -1.764225708e+00 -1.764225708e+00 3.74 -1.743015834e+00 -1.743015834e+00 3.76 -1.722187379e+00 -1.722187379e+00 3.78 -1.701735123e+00 -1.701735123e+00 3.80 -1.681653621e+00 -1.681653621e+00 3.82 -1.661937232e+00 -1.661937232e+00 3.84 -1.642580142e+00 -1.642580142e+00 3.86 -1.623576393e+00 -1.623576393e+00 3.88 -1.604919897e+00 -1.604919897e+00 3.90 -1.586604463e+00 -1.586604463e+00 3.92 -1.568623805e+00 -1.568623805e+00 3.94 -1.550971569e+00 -1.550971569e+00 3.96 -1.533641335e+00 -1.533641335e+00 3.98 -1.516626641e+00 -1.516626641e+00 4.00 -1.499920986e+00 -1.499920986e+00 4.02 -1.483517843e+00 -1.483517843e+00 4.04 -1.467410667e+00 -1.467410667e+00 4.06 -1.451592903e+00 -1.451592903e+00 4.08 -1.436057993e+00 -1.436057993e+00 4.10 -1.420799381e+00 -1.420799381e+00 4.12 -1.405810517e+00 -1.405810517e+00 4.14 -1.391084862e+00 -1.391084862e+00 4.16 -1.376615892e+00 -1.376615892e+00 4.18 -1.362397101e+00 -1.362397101e+00 4.20 -1.348422001e+00 -1.348422001e+00 4.22 -1.334684127e+00 -1.334684127e+00 4.24 -1.321177037e+00 -1.321177037e+00 4.26 -1.308010546e+00 -1.308010546e+00 4.28 -1.297543115e+00 -1.297543115e+00 4.30 -1.295277762e+00 -1.295277762e+00 4.32 -1.296584823e+00 -1.296584823e+00 4.34 -1.286045736e+00 -1.286045736e+00 4.36 -1.273832687e+00 -1.273832687e+00 4.38 -1.261761476e+00 -1.261761476e+00 4.40 -1.249827966e+00 -1.249827966e+00 4.42 -1.238028024e+00 -1.238028024e+00 4.44 -1.226357529e+00 -1.226357529e+00 4.46 -1.214812371e+00 -1.214812371e+00 4.48 -1.203388467e+00 -1.203388467e+00 4.50 -1.192081758e+00 -1.192081758e+00 4.52 -1.180888221e+00 -1.180888221e+00 4.54 -1.169803874e+00 -1.169803874e+00 4.56 -1.158824785e+00 -1.158824785e+00 4.58 -1.147947076e+00 -1.147947076e+00 4.60 -1.137166939e+00 -1.137166939e+00 4.62 -1.126480635e+00 -1.126480635e+00 4.64 -1.115884510e+00 -1.115884510e+00 4.66 -1.105375000e+00 -1.105375000e+00 4.68 -1.094948642e+00 -1.094948642e+00 4.70 -1.084602084e+00 -1.084602084e+00 4.72 -1.074332090e+00 -1.074332090e+00 4.74 -1.064135556e+00 -1.064135556e+00 4.76 -1.054009511e+00 -1.054009511e+00 4.78 -1.043951132e+00 -1.043951132e+00 4.80 -1.033957750e+00 -1.033957750e+00 4.82 -1.024026858e+00 -1.024026858e+00 4.84 -1.014156117e+00 -1.014156117e+00 4.86 -1.004343364e+00 -1.004343364e+00 4.88 -9.945866159e-01 -9.945866159e-01 4.90 -9.848840766e-01 -9.848840766e-01 4.92 -9.730154378e-01 -9.730154378e-01 4.94 -9.305548571e-01 -9.305548571e-01 4.96 -7.823124607e-01 -7.823124607e-01 4.98 -4.301186256e-01 -4.301186256e-01 5.00 -2.550335153e-22 -2.553070328e-22 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