# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti # implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--LAMMPS--ipr1 # composition = CoFe2Ni # 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 2024-03-01 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 nan nan 1.00 nan nan 1.02 -5.877596892e+02 -5.877596892e+02 1.04 -5.531724501e+02 -5.531724501e+02 1.06 -5.216028220e+02 -5.216028220e+02 1.08 -4.924399614e+02 -4.924399614e+02 1.10 -4.651104434e+02 -4.651104434e+02 1.12 -4.394070149e+02 -4.394070149e+02 1.14 -4.152228201e+02 -4.152228201e+02 1.16 -3.924061770e+02 -3.924061770e+02 1.18 -3.706186911e+02 -3.706186911e+02 1.20 -3.494772605e+02 -3.494772605e+02 1.22 -3.290483325e+02 -3.290483325e+02 1.24 -3.098651738e+02 -3.098651738e+02 1.26 -2.923340904e+02 -2.923340904e+02 1.28 -2.764703201e+02 -2.764703201e+02 1.30 -2.619946025e+02 -2.619946025e+02 1.32 -2.486828292e+02 -2.486828292e+02 1.34 -2.363101739e+02 -2.363101739e+02 1.36 -2.245410615e+02 -2.245410615e+02 1.38 -2.130392811e+02 -2.130392811e+02 1.40 -2.016429743e+02 -2.016429743e+02 1.42 -1.903686839e+02 -1.903686839e+02 1.44 -1.792936973e+02 -1.792936973e+02 1.46 -1.684015509e+02 -1.684015509e+02 1.48 -1.575920834e+02 -1.575920834e+02 1.50 -1.468278757e+02 -1.468278757e+02 1.52 -1.361323445e+02 -1.361323445e+02 1.54 -1.255827315e+02 -1.255827315e+02 1.56 -1.153273690e+02 -1.153273690e+02 1.58 -1.055890640e+02 -1.055890640e+02 1.60 -9.654686375e+01 -9.654686375e+01 1.62 -8.821349848e+01 -8.821349848e+01 1.64 -8.048781740e+01 -8.048781740e+01 1.66 -7.327486417e+01 -7.327486417e+01 1.68 -6.651260620e+01 -6.651260620e+01 1.70 -6.012582068e+01 -6.012582068e+01 1.72 -5.403362112e+01 -5.403362112e+01 1.74 -4.816912655e+01 -4.816912655e+01 1.76 -4.250843075e+01 -4.250843075e+01 1.78 -3.705908154e+01 -3.705908154e+01 1.80 -3.184970671e+01 -3.184970671e+01 1.82 -2.691009952e+01 -2.691009952e+01 1.84 -2.225206108e+01 -2.225206108e+01 1.86 -1.785982873e+01 -1.785982873e+01 1.88 -1.385577723e+01 -1.385577723e+01 1.90 -1.052197370e+01 -1.052197370e+01 1.92 -7.847667504e+00 -7.847667504e+00 1.94 -5.900221903e+00 -5.900221903e+00 1.96 -4.531242826e+00 -4.531242826e+00 1.98 -3.591499382e+00 -3.591499382e+00 2.00 -2.968250508e+00 -2.968250508e+00 2.02 -2.582088718e+00 -2.582088718e+00 2.04 -2.377747260e+00 -2.377747260e+00 2.06 -2.313497863e+00 -2.313497863e+00 2.08 -2.353799746e+00 -2.353799746e+00 2.10 -2.467167286e+00 -2.467167286e+00 2.12 -2.626136355e+00 -2.626136355e+00 2.14 -2.808170034e+00 -2.808170034e+00 2.16 -2.997304250e+00 -2.997304250e+00 2.18 -3.182816619e+00 -3.182816619e+00 2.20 -3.357102496e+00 -3.357102496e+00 2.22 -3.517159903e+00 -3.517159903e+00 2.24 -3.663000271e+00 -3.663000271e+00 2.26 -3.793820942e+00 -3.793820942e+00 2.28 -3.908884258e+00 -3.908884258e+00 2.30 -4.008208633e+00 -4.008208633e+00 2.32 -4.092182974e+00 -4.092182974e+00 2.34 -4.161073970e+00 -4.161073970e+00 2.36 -4.215381288e+00 -4.215381288e+00 2.38 -4.256105079e+00 -4.256105079e+00 2.40 -4.284677383e+00 -4.284677383e+00 2.42 -4.302733183e+00 -4.302733183e+00 2.44 -4.311711255e+00 -4.311711255e+00 2.46 -4.312608153e+00 -4.312608153e+00 2.48 -4.306523641e+00 -4.306523641e+00 2.50 -4.294450493e+00 -4.294450493e+00 2.52 -4.276674460e+00 -4.276674460e+00 2.54 -4.252822692e+00 -4.252822692e+00 2.56 -4.222787816e+00 -4.222787816e+00 2.58 -4.186511050e+00 -4.186511050e+00 2.60 -4.144383077e+00 -4.144383077e+00 2.62 -4.097121884e+00 -4.097121884e+00 2.64 -4.045518301e+00 -4.045518301e+00 2.66 -3.990368068e+00 -3.990368068e+00 2.68 -3.932254199e+00 -3.932254199e+00 2.70 -3.871575428e+00 -3.871575428e+00 2.72 -3.808595908e+00 -3.808595908e+00 2.74 -3.743461209e+00 -3.743461209e+00 2.76 -3.676321391e+00 -3.676321391e+00 2.78 -3.607547846e+00 -3.607547846e+00 2.80 -3.537769954e+00 -3.537769954e+00 2.82 -3.467898708e+00 -3.467898708e+00 2.84 -3.399038447e+00 -3.399038447e+00 2.86 -3.332419800e+00 -3.332419800e+00 2.88 -3.269258690e+00 -3.269258690e+00 2.90 -3.210576915e+00 -3.210576915e+00 2.92 -3.156982056e+00 -3.156982056e+00 2.94 -3.108930257e+00 -3.108930257e+00 2.96 -3.066848069e+00 -3.066848069e+00 2.98 -3.030457439e+00 -3.030457439e+00 3.00 -2.993908706e+00 -2.993908706e+00 3.02 -2.948631781e+00 -2.948631781e+00 3.04 -2.886095301e+00 -2.886095301e+00 3.06 -2.797820174e+00 -2.797820174e+00 3.08 -2.675434142e+00 -2.675434142e+00 3.10 -2.510828913e+00 -2.510828913e+00 3.12 -2.296502774e+00 -2.296502774e+00 3.14 -2.025796159e+00 -2.025796159e+00 3.16 -1.693314723e+00 -1.693314723e+00 3.18 -1.302957441e+00 -1.302957441e+00 3.20 -1.158077015e+00 -1.158077015e+00 3.22 -1.109450363e+00 -1.109450363e+00 3.24 -1.061751830e+00 -1.061751830e+00 3.26 -1.014873686e+00 -1.014873686e+00 3.28 -9.686283470e-01 -9.686283470e-01 3.30 -9.227733130e-01 -9.227733130e-01 3.32 -8.770555511e-01 -8.770555511e-01 3.34 -8.312673575e-01 -8.312673575e-01 3.36 -7.853166288e-01 -7.853166288e-01 3.38 -7.392560776e-01 -7.392560776e-01 3.40 -6.932532883e-01 -6.932532883e-01 3.42 -6.475449357e-01 -6.475449357e-01 3.44 -6.024028225e-01 -6.024028225e-01 3.46 -5.580901894e-01 -5.580901894e-01 3.48 -5.148279457e-01 -5.148279457e-01 3.50 -4.727770206e-01 -4.727770206e-01 3.52 -4.320351962e-01 -4.320351962e-01 3.54 -3.926444733e-01 -3.926444733e-01 3.56 -3.546055035e-01 -3.546055035e-01 3.58 -3.179170246e-01 -3.179170246e-01 3.60 -2.826074518e-01 -2.826074518e-01 3.62 -2.487064112e-01 -2.487064112e-01 3.64 -2.162400521e-01 -2.162400521e-01 3.66 -1.852319626e-01 -1.852319626e-01 3.68 -1.557046810e-01 -1.557046810e-01 3.70 -1.276785209e-01 -1.276785209e-01 3.72 -1.011714942e-01 -1.011714942e-01 3.74 -7.619942242e-02 -7.619942242e-02 3.76 -5.277580380e-02 -5.277580380e-02 3.78 -3.091205964e-02 -3.091205964e-02 3.80 -1.061730606e-02 -1.061730606e-02 3.82 8.101515995e-03 8.101515995e-03 3.84 2.523949105e-02 2.523949105e-02 3.86 4.079705096e-02 4.079705096e-02 3.88 5.480379911e-02 5.480379911e-02 3.90 6.730554453e-02 6.730554453e-02 3.92 7.835010100e-02 7.835010100e-02 3.94 8.799002662e-02 8.799002662e-02 3.96 9.628492522e-02 9.628492522e-02 3.98 1.032968937e-01 1.032968937e-01 4.00 1.090897004e-01 1.090897004e-01 4.02 1.137285981e-01 1.137285981e-01 4.04 1.172800822e-01 1.172800822e-01 4.06 1.198115909e-01 1.198115909e-01 4.08 1.213914439e-01 1.213914439e-01 4.10 1.220884318e-01 1.220884318e-01 4.12 1.219716135e-01 1.219716135e-01 4.14 1.211020081e-01 1.211020081e-01 4.16 1.195274732e-01 1.195274732e-01 4.18 1.172944483e-01 1.172944483e-01 4.20 1.144471707e-01 1.144471707e-01 4.22 1.110191261e-01 1.110191261e-01 4.24 1.070396943e-01 1.070396943e-01 4.26 1.025376050e-01 1.025376050e-01 4.28 9.754068957e-02 9.754068957e-02 4.30 9.207604724e-02 9.207604724e-02 4.32 8.616989482e-02 8.616989482e-02 4.34 7.984761844e-02 7.984761844e-02 4.36 7.313407760e-02 7.313407760e-02 4.38 6.605351361e-02 6.605351361e-02 4.40 5.863017059e-02 5.863017059e-02 4.42 5.088854581e-02 5.088854581e-02 4.44 4.285392210e-02 4.285392210e-02 4.46 3.455338151e-02 3.455338151e-02 4.48 2.601642607e-02 2.601642607e-02 4.50 1.727627131e-02 1.727627131e-02 4.52 8.371690546e-03 8.371690546e-03 4.54 -6.478607400e-04 -6.478607400e-04 4.56 -9.728315783e-03 -9.728315783e-03 4.58 -1.880878404e-02 -1.880878404e-02 4.60 -2.781986454e-02 -2.781986454e-02 4.62 -3.668459745e-02 -3.668459745e-02 4.64 -4.532087677e-02 -4.532087677e-02 4.66 -5.364475659e-02 -5.364475659e-02 4.68 -6.157510206e-02 -6.157510206e-02 4.70 -6.903868975e-02 -6.903868975e-02 4.72 -7.597493042e-02 -7.597493042e-02 4.74 -8.233928964e-02 -8.233928964e-02 4.76 -8.810532747e-02 -8.810532747e-02 4.78 -9.327258405e-02 -9.327258405e-02 4.80 -9.786270197e-02 -9.786270197e-02 4.82 -1.019040375e-01 -1.019040375e-01 4.84 -1.054289664e-01 -1.054289664e-01 4.86 -1.084693513e-01 -1.084693513e-01 4.88 -1.110530802e-01 -1.110530802e-01 4.90 -1.132012708e-01 -1.132012708e-01 4.92 -1.149270861e-01 -1.149270861e-01 4.94 -1.162354090e-01 -1.162354090e-01 4.96 -1.171234846e-01 -1.171234846e-01 4.98 -1.175819243e-01 -1.175819243e-01 5.00 -1.175962479e-01 -1.175962479e-01 5.02 -1.171484964e-01 -1.171484964e-01 5.04 -1.162195572e-01 -1.162195572e-01 5.06 -1.147949000e-01 -1.147949000e-01 5.08 -1.128638640e-01 -1.128638640e-01 5.10 -1.104176742e-01 -1.104176742e-01 5.12 -1.074502103e-01 -1.074502103e-01 5.14 -1.039589727e-01 -1.039589727e-01 5.16 -9.994627041e-02 -9.994627041e-02 5.18 -9.542068436e-02 -9.542068436e-02 5.20 -9.039851053e-02 -9.039851053e-02 5.22 -8.490754262e-02 -8.490754262e-02 5.24 -7.899865276e-02 -7.899865276e-02 5.26 -7.273909436e-02 -7.273909436e-02 5.28 -6.620927942e-02 -6.620927942e-02 5.30 -5.950289311e-02 -5.950289311e-02 5.32 -5.272567723e-02 -5.272567723e-02 5.34 -4.599297476e-02 -4.599297476e-02 5.36 -3.942550589e-02 -3.942550589e-02 5.38 -3.314399195e-02 -3.314399195e-02 5.40 -2.726220548e-02 -2.726220548e-02 5.42 -2.187987268e-02 -2.187987268e-02 5.44 -1.707585082e-02 -1.707585082e-02 5.46 -1.290276314e-02 -1.290276314e-02 5.48 -9.383936280e-03 -9.383936280e-03 5.50 -6.513165896e-03 -6.513165896e-03 5.52 -4.257162640e-03 -4.257162640e-03 5.54 -2.559491650e-03 -2.559491650e-03 5.56 -1.345591377e-03 -1.345591377e-03 5.58 -5.327876401e-04 -5.327876401e-04 5.60 -3.622970297e-05 -3.622970297e-05 5.62 2.247835620e-04 2.247835620e-04 5.64 3.224230146e-04 3.224230146e-04 5.66 3.175929937e-04 3.175929937e-04 5.68 2.584756148e-04 2.584756148e-04 5.70 1.805208606e-04 1.805208606e-04 5.72 1.072371253e-04 1.072371253e-04 5.74 5.156012959e-05 5.156012959e-05 5.76 1.766085340e-05 1.766085340e-05 5.78 2.931779677e-06 2.931779677e-06 5.80 -9.658620681e-10 -9.674568957e-10 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