# 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 = MgMo2Pd # 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 3.721338080e+02 3.721338080e+02 1.30 3.449683563e+02 3.449683563e+02 1.32 3.198167965e+02 3.198167965e+02 1.34 2.965150612e+02 2.965150612e+02 1.36 2.749142515e+02 2.749142515e+02 1.38 2.548783485e+02 2.548783485e+02 1.40 2.362829544e+02 2.362829544e+02 1.42 2.190146775e+02 2.190146775e+02 1.44 2.029706723e+02 2.029706723e+02 1.46 1.880579072e+02 1.880579072e+02 1.48 1.741920847e+02 1.741920847e+02 1.50 1.612964970e+02 1.612964970e+02 1.52 1.493010739e+02 1.493010739e+02 1.54 1.381416329e+02 1.381416329e+02 1.56 1.277591791e+02 1.277591791e+02 1.58 1.180991856e+02 1.180991856e+02 1.60 1.091109188e+02 1.091109188e+02 1.62 1.007469318e+02 1.007469318e+02 1.64 9.296276586e+01 9.296276586e+01 1.66 8.571679716e+01 8.571679716e+01 1.68 7.897016286e+01 7.897016286e+01 1.70 7.268672826e+01 7.268672826e+01 1.72 6.683329252e+01 6.683329252e+01 1.74 6.138337744e+01 6.138337744e+01 1.76 5.631098683e+01 5.631098683e+01 1.78 5.160520067e+01 5.160520067e+01 1.80 4.724706863e+01 4.724706863e+01 1.82 4.321263724e+01 4.321263724e+01 1.84 3.947930004e+01 3.947930004e+01 1.86 3.602559317e+01 3.602559317e+01 1.88 3.283121274e+01 3.283121274e+01 1.90 2.987713694e+01 2.987713694e+01 1.92 2.714572576e+01 2.714572576e+01 1.94 2.462073091e+01 2.462073091e+01 1.96 2.228720753e+01 2.228720753e+01 1.98 2.013136722e+01 2.013136722e+01 2.00 1.814040901e+01 1.814040901e+01 2.02 1.630235447e+01 1.630235447e+01 2.04 1.460590490e+01 1.460590490e+01 2.06 1.304033347e+01 1.304033347e+01 2.08 1.159542487e+01 1.159542487e+01 2.10 1.026147086e+01 1.026147086e+01 2.12 9.029322004e+00 9.029322004e+00 2.14 7.890474868e+00 7.890474868e+00 2.16 6.837163758e+00 6.837163758e+00 2.18 5.862420308e+00 5.862420308e+00 2.20 4.960080370e+00 4.960080370e+00 2.22 4.124733892e+00 4.124733892e+00 2.24 3.351634630e+00 3.351634630e+00 2.26 2.636590554e+00 2.636590554e+00 2.28 1.975853868e+00 1.975853868e+00 2.30 1.366023046e+00 1.366023046e+00 2.32 8.039602459e-01 8.039602459e-01 2.34 2.867296209e-01 2.867296209e-01 2.36 -1.884490254e-01 -1.884490254e-01 2.38 -6.242286275e-01 -6.242286275e-01 2.40 -1.023149762e+00 -1.023149762e+00 2.42 -1.387646059e+00 -1.387646059e+00 2.44 -1.720042997e+00 -1.720042997e+00 2.46 -2.022408903e+00 -2.022408903e+00 2.48 -2.296722067e+00 -2.296722067e+00 2.50 -2.545231668e+00 -2.545231668e+00 2.52 -2.769994245e+00 -2.769994245e+00 2.54 -2.972851320e+00 -2.972851320e+00 2.56 -3.155424608e+00 -3.155424608e+00 2.58 -3.319123975e+00 -3.319123975e+00 2.60 -3.465170267e+00 -3.465170267e+00 2.62 -3.594513869e+00 -3.594513869e+00 2.64 -3.707630197e+00 -3.707630197e+00 2.66 -3.804924542e+00 -3.804924542e+00 2.68 -3.886836705e+00 -3.886836705e+00 2.70 -3.953842636e+00 -3.953842636e+00 2.72 -4.006453345e+00 -4.006453345e+00 2.74 -4.045211599e+00 -4.045211599e+00 2.76 -4.070687734e+00 -4.070687734e+00 2.78 -4.083541765e+00 -4.083541765e+00 2.80 -4.084666796e+00 -4.084666796e+00 2.82 -4.074602426e+00 -4.074602426e+00 2.84 -4.053890224e+00 -4.053890224e+00 2.86 -4.023136059e+00 -4.023136059e+00 2.88 -3.983017526e+00 -3.983017526e+00 2.90 -3.934289848e+00 -3.934289848e+00 2.92 -3.877786721e+00 -3.877786721e+00 2.94 -3.814413530e+00 -3.814413530e+00 2.96 -3.745152191e+00 -3.745152191e+00 2.98 -3.671041625e+00 -3.671041625e+00 3.00 -3.593106871e+00 -3.593106871e+00 3.02 -3.512320167e+00 -3.512320167e+00 3.04 -3.429566610e+00 -3.429566610e+00 3.06 -3.345616449e+00 -3.345616449e+00 3.08 -3.261104662e+00 -3.261104662e+00 3.10 -3.176523067e+00 -3.176523067e+00 3.12 -3.092221919e+00 -3.092221919e+00 3.14 -3.008422459e+00 -3.008422459e+00 3.16 -2.925233558e+00 -2.925233558e+00 3.18 -2.842675855e+00 -2.842675855e+00 3.20 -2.760706111e+00 -2.760706111e+00 3.22 -2.679241758e+00 -2.679241758e+00 3.24 -2.598183841e+00 -2.598183841e+00 3.26 -2.517437372e+00 -2.517437372e+00 3.28 -2.436928515e+00 -2.436928515e+00 3.30 -2.356618227e+00 -2.356618227e+00 3.32 -2.276517232e+00 -2.276517232e+00 3.34 -2.196718366e+00 -2.196718366e+00 3.36 -2.117264992e+00 -2.117264992e+00 3.38 -2.038239595e+00 -2.038239595e+00 3.40 -1.959789836e+00 -1.959789836e+00 3.42 -1.882074550e+00 -1.882074550e+00 3.44 -1.805097130e+00 -1.805097130e+00 3.46 -1.728902270e+00 -1.728902270e+00 3.48 -1.653639041e+00 -1.653639041e+00 3.50 -1.579541373e+00 -1.579541373e+00 3.52 -1.506902557e+00 -1.506902557e+00 3.54 -1.436046405e+00 -1.436046405e+00 3.56 -1.367298292e+00 -1.367298292e+00 3.58 -1.300959183e+00 -1.300959183e+00 3.60 -1.237285024e+00 -1.237285024e+00 3.62 -1.176472861e+00 -1.176472861e+00 3.64 -1.118653932e+00 -1.118653932e+00 3.66 -1.063893077e+00 -1.063893077e+00 3.68 -1.012193183e+00 -1.012193183e+00 3.70 -9.635031108e-01 -9.635031108e-01 3.72 -9.177275779e-01 -9.177275779e-01 3.74 -8.747376800e-01 -8.747376800e-01 3.76 -8.343810443e-01 -8.343810443e-01 3.78 -7.964909475e-01 -7.964909475e-01 3.80 -7.608940231e-01 -7.608940231e-01 3.82 -7.274164184e-01 -7.274164184e-01 3.84 -6.958884336e-01 -6.958884336e-01 3.86 -6.661477910e-01 -6.661477910e-01 3.88 -6.380417540e-01 -6.380417540e-01 3.90 -6.114283526e-01 -6.114283526e-01 3.92 -5.861768880e-01 -5.861768880e-01 3.94 -5.621685465e-01 -5.621685465e-01 3.96 -5.392957890e-01 -5.392957890e-01 3.98 -5.174627594e-01 -5.174627594e-01 4.00 -4.965851054e-01 -4.965851054e-01 4.02 -4.765898810e-01 -4.765898810e-01 4.04 -4.574153398e-01 -4.574153398e-01 4.06 -4.390105218e-01 -4.390105218e-01 4.08 -4.213345397e-01 -4.213345397e-01 4.10 -4.043551321e-01 -4.043551321e-01 4.12 -3.880487599e-01 -3.880487599e-01 4.14 -3.723963738e-01 -3.723963738e-01 4.16 -3.573831654e-01 -3.573831654e-01 4.18 -3.429960827e-01 -3.429960827e-01 4.20 -3.292219624e-01 -3.292219624e-01 4.22 -3.160459903e-01 -3.160459903e-01 4.24 -3.034506140e-01 -3.034506140e-01 4.26 -2.914149709e-01 -2.914149709e-01 4.28 -2.799147717e-01 -2.799147717e-01 4.30 -2.689226209e-01 -2.689226209e-01 4.32 -2.584086226e-01 -2.584086226e-01 4.34 -2.483408729e-01 -2.483408729e-01 4.36 -2.386858338e-01 -2.386858338e-01 4.38 -2.294115734e-01 -2.294115734e-01 4.40 -2.204863419e-01 -2.204863419e-01 4.42 -2.118790378e-01 -2.118790378e-01 4.44 -2.035598131e-01 -2.035598131e-01 4.46 -1.955005148e-01 -1.955005148e-01 4.48 -1.876750114e-01 -1.876750114e-01 4.50 -1.800594470e-01 -1.800594470e-01 4.52 -1.726324626e-01 -1.726324626e-01 4.54 -1.653754085e-01 -1.653754085e-01 4.56 -1.582725624e-01 -1.582725624e-01 4.58 -1.513113572e-01 -1.513113572e-01 4.60 -1.444826083e-01 -1.444826083e-01 4.62 -1.377807193e-01 -1.377807193e-01 4.64 -1.312038346e-01 -1.312038346e-01 4.66 -1.247539020e-01 -1.247539020e-01 4.68 -1.184366027e-01 -1.184366027e-01 4.70 -1.122611135e-01 -1.122611135e-01 4.72 -1.062396742e-01 -1.062396742e-01 4.74 -1.003869539e-01 -1.003869539e-01 4.76 -9.471923275e-02 -9.471923275e-02 4.78 -8.925344195e-02 -8.925344195e-02 4.80 -8.400592423e-02 -8.400592423e-02 4.82 -7.899226933e-02 -7.899226933e-02 4.84 -7.422503186e-02 -7.422503186e-02 4.86 -6.971392286e-02 -6.971392286e-02 4.88 -6.546506525e-02 -6.546506525e-02 4.90 -6.148073141e-02 -6.148073141e-02 4.92 -5.775935457e-02 -5.775935457e-02 4.94 -5.429577476e-02 -5.429577476e-02 4.96 -5.108167031e-02 -5.108167031e-02 4.98 -4.810611218e-02 -4.810611218e-02 5.00 -4.535617464e-02 -4.535617464e-02 5.02 -4.281755368e-02 -4.281755368e-02 5.04 -4.047514657e-02 -4.047514657e-02 5.06 -3.831356281e-02 -3.831356281e-02 5.08 -3.631755041e-02 -3.631755041e-02 5.10 -3.447232759e-02 -3.447232759e-02 5.12 -3.276383094e-02 -3.276383094e-02 5.14 -3.117888416e-02 -3.117888416e-02 5.16 -2.970529865e-02 -2.970529865e-02 5.18 -2.833192006e-02 -2.833192006e-02 5.20 -2.704863356e-02 -2.704863356e-02 5.22 -2.584633915e-02 -2.584633915e-02 5.24 -2.471690667e-02 -2.471690667e-02 5.26 -2.365311813e-02 -2.365311813e-02 5.28 -2.264860346e-02 -2.264860346e-02 5.30 -2.169777348e-02 -2.169777348e-02 5.32 -2.079575312e-02 -2.079575312e-02 5.34 -1.993831597e-02 -1.993831597e-02 5.36 -1.912182098e-02 -1.912182098e-02 5.38 -1.834311791e-02 -1.834311791e-02 5.40 -1.759952880e-02 -1.759952880e-02 5.42 -1.688881896e-02 -1.688881896e-02 5.44 -1.620909600e-02 -1.620909600e-02 5.46 -1.555875216e-02 -1.555875216e-02 5.48 -1.493640772e-02 -1.493640772e-02 5.50 -1.434085682e-02 -1.434085682e-02 5.52 -1.377101718e-02 -1.377101718e-02 5.54 -1.322588553e-02 -1.322588553e-02 5.56 -1.270450032e-02 -1.270450032e-02 5.58 -1.220591281e-02 -1.220591281e-02 5.60 -1.172916690e-02 -1.172916690e-02 5.62 -1.127328762e-02 -1.127328762e-02 5.64 -1.083727704e-02 -1.083727704e-02 5.66 -1.042011638e-02 -1.042011638e-02 5.68 -1.002077240e-02 -1.002077240e-02 5.70 -9.638206453e-03 -9.638206453e-03 5.72 -9.271384582e-03 -9.271384582e-03 5.74 -8.919287418e-03 -8.919287418e-03 5.76 -8.580919009e-03 -8.580919009e-03 5.78 -8.255314069e-03 -8.255314069e-03 5.80 -7.941543468e-03 -7.941543468e-03 5.82 -7.638718001e-03 -7.638718001e-03 5.84 -7.345990676e-03 -7.345990676e-03 5.86 -7.062557849e-03 -7.062557849e-03 5.88 -6.787659565e-03 -6.787659565e-03 5.90 -6.520579500e-03 -6.520579500e-03 5.92 -6.260644829e-03 -6.260644829e-03 5.94 -6.007226364e-03 -6.007226364e-03 5.96 -5.759739191e-03 -5.759739191e-03 5.98 -5.517644032e-03 -5.517644032e-03 6.00 -5.280449459e-03 -5.280449459e-03