# 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 = AuMgZr2 # 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 4.560159444e+02 4.560159444e+02 1.30 4.244305193e+02 4.244305193e+02 1.32 3.951197577e+02 3.951197577e+02 1.34 3.679035023e+02 3.679035023e+02 1.36 3.426182940e+02 3.426182940e+02 1.38 3.191162603e+02 3.191162603e+02 1.40 2.972629175e+02 2.972629175e+02 1.42 2.769346322e+02 2.769346322e+02 1.44 2.580167641e+02 2.580167641e+02 1.46 2.404027517e+02 2.404027517e+02 1.48 2.239940229e+02 2.239940229e+02 1.50 2.087003466e+02 2.087003466e+02 1.52 1.944399455e+02 1.944399455e+02 1.54 1.811387574e+02 1.811387574e+02 1.56 1.687292280e+02 1.687292280e+02 1.58 1.571490906e+02 1.571490906e+02 1.60 1.463405243e+02 1.463405243e+02 1.62 1.362496163e+02 1.362496163e+02 1.64 1.268261192e+02 1.268261192e+02 1.66 1.180232668e+02 1.180232668e+02 1.68 1.097976596e+02 1.097976596e+02 1.70 1.021091904e+02 1.021091904e+02 1.72 9.492087727e+01 9.492087727e+01 1.74 8.819864491e+01 8.819864491e+01 1.76 8.191108711e+01 8.191108711e+01 1.78 7.602924507e+01 7.602924507e+01 1.80 7.052634954e+01 7.052634954e+01 1.82 6.537751815e+01 6.537751815e+01 1.84 6.055948934e+01 6.055948934e+01 1.86 5.605050853e+01 5.605050853e+01 1.88 5.183023389e+01 5.183023389e+01 1.90 4.787964887e+01 4.787964887e+01 1.92 4.418168253e+01 4.418168253e+01 1.94 4.072006895e+01 4.072006895e+01 1.96 3.748221519e+01 3.748221519e+01 1.98 3.445992621e+01 3.445992621e+01 2.00 3.163895044e+01 3.163895044e+01 2.02 2.900607233e+01 2.900607233e+01 2.04 2.654914803e+01 2.654914803e+01 2.06 2.425693819e+01 2.425693819e+01 2.08 2.211896147e+01 2.211896147e+01 2.10 2.012539460e+01 2.012539460e+01 2.12 1.826699045e+01 1.826699045e+01 2.14 1.653503669e+01 1.653503669e+01 2.16 1.492133406e+01 1.492133406e+01 2.18 1.341816866e+01 1.341816866e+01 2.20 1.201829870e+01 1.201829870e+01 2.22 1.071491534e+01 1.071491534e+01 2.24 9.501625076e+00 9.501625076e+00 2.26 8.372452047e+00 8.372452047e+00 2.28 7.321839481e+00 7.321839481e+00 2.30 6.344682487e+00 6.344682487e+00 2.32 5.436293857e+00 5.436293857e+00 2.34 4.592379525e+00 4.592379525e+00 2.36 3.808973580e+00 3.808973580e+00 2.38 3.082378758e+00 3.082378758e+00 2.40 2.409111584e+00 2.409111584e+00 2.42 1.785851205e+00 1.785851205e+00 2.44 1.209417065e+00 1.209417065e+00 2.46 6.767475098e-01 6.767475098e-01 2.48 1.849038713e-01 1.849038713e-01 2.50 -2.689150997e-01 -2.689150997e-01 2.52 -6.873548849e-01 -6.873548849e-01 2.54 -1.072890657e+00 -1.072890657e+00 2.56 -1.427820555e+00 -1.427820555e+00 2.58 -1.754267223e+00 -1.754267223e+00 2.60 -2.054186140e+00 -2.054186140e+00 2.62 -2.329376153e+00 -2.329376153e+00 2.64 -2.581502908e+00 -2.581502908e+00 2.66 -2.812098420e+00 -2.812098420e+00 2.68 -3.022584982e+00 -3.022584982e+00 2.70 -3.214333457e+00 -3.214333457e+00 2.72 -3.388654891e+00 -3.388654891e+00 2.74 -3.546580577e+00 -3.546580577e+00 2.76 -3.689090423e+00 -3.689090423e+00 2.78 -3.817120463e+00 -3.817120463e+00 2.80 -3.931570679e+00 -3.931570679e+00 2.82 -4.033282634e+00 -4.033282634e+00 2.84 -4.123052685e+00 -4.123052685e+00 2.86 -4.201621945e+00 -4.201621945e+00 2.88 -4.269520637e+00 -4.269520637e+00 2.90 -4.327125060e+00 -4.327125060e+00 2.92 -4.374836859e+00 -4.374836859e+00 2.94 -4.413082986e+00 -4.413082986e+00 2.96 -4.442309003e+00 -4.442309003e+00 2.98 -4.462973175e+00 -4.462973175e+00 3.00 -4.475541214e+00 -4.475541214e+00 3.02 -4.480481715e+00 -4.480481715e+00 3.04 -4.478258117e+00 -4.478258117e+00 3.06 -4.469343579e+00 -4.469343579e+00 3.08 -4.454190570e+00 -4.454190570e+00 3.10 -4.433250003e+00 -4.433250003e+00 3.12 -4.406966634e+00 -4.406966634e+00 3.14 -4.375839643e+00 -4.375839643e+00 3.16 -4.340266610e+00 -4.340266610e+00 3.18 -4.300618777e+00 -4.300618777e+00 3.20 -4.257266111e+00 -4.257266111e+00 3.22 -4.210574100e+00 -4.210574100e+00 3.24 -4.160901583e+00 -4.160901583e+00 3.26 -4.108599841e+00 -4.108599841e+00 3.28 -4.054012251e+00 -4.054012251e+00 3.30 -3.997473070e+00 -3.997473070e+00 3.32 -3.939303246e+00 -3.939303246e+00 3.34 -3.879801425e+00 -3.879801425e+00 3.36 -3.819240748e+00 -3.819240748e+00 3.38 -3.757863648e+00 -3.757863648e+00 3.40 -3.695876055e+00 -3.695876055e+00 3.42 -3.633454312e+00 -3.633454312e+00 3.44 -3.570736450e+00 -3.570736450e+00 3.46 -3.507835754e+00 -3.507835754e+00 3.48 -3.444844620e+00 -3.444844620e+00 3.50 -3.381840248e+00 -3.381840248e+00 3.52 -3.318889190e+00 -3.318889190e+00 3.54 -3.256050521e+00 -3.256050521e+00 3.56 -3.193377756e+00 -3.193377756e+00 3.58 -3.130919803e+00 -3.130919803e+00 3.60 -3.068721307e+00 -3.068721307e+00 3.62 -3.006822708e+00 -3.006822708e+00 3.64 -2.945260283e+00 -2.945260283e+00 3.66 -2.884066391e+00 -2.884066391e+00 3.68 -2.823270082e+00 -2.823270082e+00 3.70 -2.762898184e+00 -2.762898184e+00 3.72 -2.702976932e+00 -2.702976932e+00 3.74 -2.643534122e+00 -2.643534122e+00 3.76 -2.584601650e+00 -2.584601650e+00 3.78 -2.526218186e+00 -2.526218186e+00 3.80 -2.468431555e+00 -2.468431555e+00 3.82 -2.411306026e+00 -2.411306026e+00 3.84 -2.354919248e+00 -2.354919248e+00 3.86 -2.299339791e+00 -2.299339791e+00 3.88 -2.244643030e+00 -2.244643030e+00 3.90 -2.190906376e+00 -2.190906376e+00 3.92 -2.138199435e+00 -2.138199435e+00 3.94 -2.086592597e+00 -2.086592597e+00 3.96 -2.036128910e+00 -2.036128910e+00 3.98 -1.986837669e+00 -1.986837669e+00 4.00 -1.938729521e+00 -1.938729521e+00 4.02 -1.891796862e+00 -1.891796862e+00 4.04 -1.846006546e+00 -1.846006546e+00 4.06 -1.801309466e+00 -1.801309466e+00 4.08 -1.757653113e+00 -1.757653113e+00 4.10 -1.714978653e+00 -1.714978653e+00 4.12 -1.673248715e+00 -1.673248715e+00 4.14 -1.632409256e+00 -1.632409256e+00 4.16 -1.592418747e+00 -1.592418747e+00 4.18 -1.553241309e+00 -1.553241309e+00 4.20 -1.514846867e+00 -1.514846867e+00 4.22 -1.477211005e+00 -1.477211005e+00 4.24 -1.440314587e+00 -1.440314587e+00 4.26 -1.404143228e+00 -1.404143228e+00 4.28 -1.368686632e+00 -1.368686632e+00 4.30 -1.333937853e+00 -1.333937853e+00 4.32 -1.299892473e+00 -1.299892473e+00 4.34 -1.266547767e+00 -1.266547767e+00 4.36 -1.233901851e+00 -1.233901851e+00 4.38 -1.201952898e+00 -1.201952898e+00 4.40 -1.170698426e+00 -1.170698426e+00 4.42 -1.140134737e+00 -1.140134737e+00 4.44 -1.110256495e+00 -1.110256495e+00 4.46 -1.081056487e+00 -1.081056487e+00 4.48 -1.052525527e+00 -1.052525527e+00 4.50 -1.024652508e+00 -1.024652508e+00 4.52 -9.974245506e-01 -9.974245506e-01 4.54 -9.708272294e-01 -9.708272294e-01 4.56 -9.448448373e-01 -9.448448373e-01 4.58 -9.194606695e-01 -9.194606695e-01 4.60 -8.946573070e-01 -8.946573070e-01 4.62 -8.704168931e-01 -8.704168931e-01 4.64 -8.467213979e-01 -8.467213979e-01 4.66 -8.235528725e-01 -8.235528725e-01 4.68 -8.008936959e-01 -8.008936959e-01 4.70 -7.787268176e-01 -7.787268176e-01 4.72 -7.570359976e-01 -7.570359976e-01 4.74 -7.358060446e-01 -7.358060446e-01 4.76 -7.150230476e-01 -7.150230476e-01 4.78 -6.946745975e-01 -6.946745975e-01 4.80 -6.747437382e-01 -6.747437382e-01 4.82 -6.552351813e-01 -6.552351813e-01 4.84 -6.361345839e-01 -6.361345839e-01 4.86 -6.174371590e-01 -6.174371590e-01 4.88 -5.991401208e-01 -5.991401208e-01 4.90 -5.812425590e-01 -5.812425590e-01 4.92 -5.637452065e-01 -5.637452065e-01 4.94 -5.466500984e-01 -5.466500984e-01 4.96 -5.299601312e-01 -5.299601312e-01 4.98 -5.136785396e-01 -5.136785396e-01 5.00 -4.978083251e-01 -4.978083251e-01 5.02 -4.823516738e-01 -4.823516738e-01 5.04 -4.673094094e-01 -4.673094094e-01 5.06 -4.526805264e-01 -4.526805264e-01 5.08 -4.384618401e-01 -4.384618401e-01 5.10 -4.246477821e-01 -4.246477821e-01 5.12 -4.112303526e-01 -4.112303526e-01 5.14 -3.981992288e-01 -3.981992288e-01 5.16 -3.855420157e-01 -3.855420157e-01 5.18 -3.732446148e-01 -3.732446148e-01 5.20 -3.612916834e-01 -3.612916834e-01 5.22 -3.496671534e-01 -3.496671534e-01 5.24 -3.383547832e-01 -3.383547832e-01 5.26 -3.273387162e-01 -3.273387162e-01 5.28 -3.166040239e-01 -3.166040239e-01 5.30 -3.061372142e-01 -3.061372142e-01 5.32 -2.959266846e-01 -2.959266846e-01 5.34 -2.859630995e-01 -2.859630995e-01 5.36 -2.762396712e-01 -2.762396712e-01 5.38 -2.667523193e-01 -2.667523193e-01 5.40 -2.574996897e-01 -2.574996897e-01 5.42 -2.484830144e-01 -2.484830144e-01 5.44 -2.397058057e-01 -2.397058057e-01 5.46 -2.311733903e-01 -2.311733903e-01 5.48 -2.228923059e-01 -2.228923059e-01 5.50 -2.148695997e-01 -2.148695997e-01 5.52 -2.071120831e-01 -2.071120831e-01 5.54 -1.996256037e-01 -1.996256037e-01 5.56 -1.924143983e-01 -1.924143983e-01 5.58 -1.854805782e-01 -1.854805782e-01 5.60 -1.788237851e-01 -1.788237851e-01 5.62 -1.724410339e-01 -1.724410339e-01 5.64 -1.663267356e-01 -1.663267356e-01 5.66 -1.604728764e-01 -1.604728764e-01 5.68 -1.548693173e-01 -1.548693173e-01 5.70 -1.495041704e-01 -1.495041704e-01 5.72 -1.443641303e-01 -1.443641303e-01 5.74 -1.394349164e-01 -1.394349164e-01 5.76 -1.347019343e-01 -1.347019343e-01 5.78 -1.301503498e-01 -1.301503498e-01 5.80 -1.257653647e-01 -1.257653647e-01 5.82 -1.215324425e-01 -1.215324425e-01 5.84 -1.174374758e-01 -1.174374758e-01 5.86 -1.134669027e-01 -1.134669027e-01 5.88 -1.096077838e-01 -1.096077838e-01 5.90 -1.058478483e-01 -1.058478483e-01 5.92 -1.021755217e-01 -1.021755217e-01 5.94 -9.857994229e-02 -9.857994229e-02 5.96 -9.505097673e-02 -9.505097673e-02 5.98 -9.157924022e-02 -9.157924022e-02 6.00 -8.815612757e-02 -8.815612757e-02