# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Schopf-D-Brommer-P-Frigan-B-Trebin-H-R--Al-Mn-Pd # implementation = EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000 # composition = Al2MnPd # 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 2022-05-24 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 nan nan 1.30 nan nan 1.32 nan nan 1.34 nan nan 1.36 nan nan 1.38 nan nan 1.40 nan nan 1.42 nan nan 1.44 nan nan 1.46 nan nan 1.48 nan nan 1.50 nan nan 1.52 nan nan 1.54 nan nan 1.56 nan nan 1.58 nan nan 1.60 nan nan 1.62 nan nan 1.64 nan nan 1.66 nan nan 1.68 nan nan 1.70 nan nan 1.72 nan nan 1.74 nan nan 1.76 nan nan 1.78 nan nan 1.80 1.329911950e+01 1.329911950e+01 1.82 1.323187109e+01 1.323187109e+01 1.84 1.278191587e+01 1.278191587e+01 1.86 1.201827756e+01 1.201827756e+01 1.88 1.101425447e+01 1.101425447e+01 1.90 9.847013895e+00 9.847013895e+00 1.92 8.594157346e+00 8.594157346e+00 1.94 7.326298740e+00 7.326298740e+00 1.96 6.090819112e+00 6.090819112e+00 1.98 4.925016458e+00 4.925016458e+00 2.00 3.861966932e+00 3.861966932e+00 2.02 2.894795636e+00 2.894795636e+00 2.04 2.014210322e+00 2.014210322e+00 2.06 1.212208726e+00 1.212208726e+00 2.08 4.815105885e-01 4.815105885e-01 2.10 -1.841725488e-01 -1.841725488e-01 2.12 -7.899653939e-01 -7.899653939e-01 2.14 -1.340009102e+00 -1.340009102e+00 2.16 -1.837761143e+00 -1.837761143e+00 2.18 -2.286583995e+00 -2.286583995e+00 2.20 -2.690544630e+00 -2.690544630e+00 2.22 -3.054730829e+00 -3.054730829e+00 2.24 -3.384532793e+00 -3.384532793e+00 2.26 -3.684349801e+00 -3.684349801e+00 2.28 -3.956976398e+00 -3.956976398e+00 2.30 -4.204152906e+00 -4.204152906e+00 2.32 -4.427443661e+00 -4.427443661e+00 2.34 -4.628787149e+00 -4.628787149e+00 2.36 -4.810407407e+00 -4.810407407e+00 2.38 -4.974198466e+00 -4.974198466e+00 2.40 -5.121326897e+00 -5.121326897e+00 2.42 -5.252285874e+00 -5.252285874e+00 2.44 -5.367201203e+00 -5.367201203e+00 2.46 -5.466091408e+00 -5.466091408e+00 2.48 -5.548938481e+00 -5.548938481e+00 2.50 -5.615599455e+00 -5.615599455e+00 2.52 -5.665646146e+00 -5.665646146e+00 2.54 -5.698386242e+00 -5.698386242e+00 2.56 -5.713141350e+00 -5.713141350e+00 2.58 -5.709748364e+00 -5.709748364e+00 2.60 -5.689020073e+00 -5.689020073e+00 2.62 -5.652872037e+00 -5.652872037e+00 2.64 -5.604003434e+00 -5.604003434e+00 2.66 -5.545275435e+00 -5.545275435e+00 2.68 -5.479073405e+00 -5.479073405e+00 2.70 -5.406988113e+00 -5.406988113e+00 2.72 -5.329870735e+00 -5.329870735e+00 2.74 -5.248162550e+00 -5.248162550e+00 2.76 -5.162196456e+00 -5.162196456e+00 2.78 -5.072384238e+00 -5.072384238e+00 2.80 -4.979278821e+00 -4.979278821e+00 2.82 -4.883553920e+00 -4.883553920e+00 2.84 -4.785970724e+00 -4.785970724e+00 2.86 -4.687368168e+00 -4.687368168e+00 2.88 -4.588617636e+00 -4.588617636e+00 2.90 -4.490519823e+00 -4.490519823e+00 2.92 -4.393702015e+00 -4.393702015e+00 2.94 -4.298579560e+00 -4.298579560e+00 2.96 -4.205395420e+00 -4.205395420e+00 2.98 -4.114294670e+00 -4.114294670e+00 3.00 -4.025393257e+00 -4.025393257e+00 3.02 -3.938816405e+00 -3.938816405e+00 3.04 -3.854706483e+00 -3.854706483e+00 3.06 -3.773216285e+00 -3.773216285e+00 3.08 -3.694475917e+00 -3.694475917e+00 3.10 -3.618588772e+00 -3.618588772e+00 3.12 -3.545628874e+00 -3.545628874e+00 3.14 -3.475642876e+00 -3.475642876e+00 3.16 -3.408644194e+00 -3.408644194e+00 3.18 -3.344609805e+00 -3.344609805e+00 3.20 -3.283474674e+00 -3.283474674e+00 3.22 -3.225123774e+00 -3.225123774e+00 3.24 -3.169387473e+00 -3.169387473e+00 3.26 -3.116040949e+00 -3.116040949e+00 3.28 -3.064815775e+00 -3.064815775e+00 3.30 -3.015419677e+00 -3.015419677e+00 3.32 -2.967515943e+00 -2.967515943e+00 3.34 -2.920781326e+00 -2.920781326e+00 3.36 -2.875004295e+00 -2.875004295e+00 3.38 -2.830008711e+00 -2.830008711e+00 3.40 -2.785531472e+00 -2.785531472e+00 3.42 -2.741777695e+00 -2.741777695e+00 3.44 -2.699912194e+00 -2.699912194e+00 3.46 -2.661483643e+00 -2.661483643e+00 3.48 -2.627451665e+00 -2.627451665e+00 3.50 -2.598321222e+00 -2.598321222e+00 3.52 -2.574821136e+00 -2.574821136e+00 3.54 -2.557584476e+00 -2.557584476e+00 3.56 -2.546646833e+00 -2.546646833e+00 3.58 -2.541553789e+00 -2.541553789e+00 3.60 -2.541558726e+00 -2.541558726e+00 3.62 -2.545826727e+00 -2.545826727e+00 3.64 -2.553595962e+00 -2.553595962e+00 3.66 -2.564223314e+00 -2.564223314e+00 3.68 -2.577168047e+00 -2.577168047e+00 3.70 -2.591934779e+00 -2.591934779e+00 3.72 -2.608048761e+00 -2.608048761e+00 3.74 -2.625061330e+00 -2.625061330e+00 3.76 -2.642529173e+00 -2.642529173e+00 3.78 -2.660094456e+00 -2.660094456e+00 3.80 -2.677455920e+00 -2.677455920e+00 3.82 -2.694347127e+00 -2.694347127e+00 3.84 -2.710578102e+00 -2.710578102e+00 3.86 -2.725941102e+00 -2.725941102e+00 3.88 -2.740218746e+00 -2.740218746e+00 3.90 -2.753209506e+00 -2.753209506e+00 3.92 -2.764686024e+00 -2.764686024e+00 3.94 -2.774486182e+00 -2.774486182e+00 3.96 -2.782508953e+00 -2.782508953e+00 3.98 -2.788736421e+00 -2.788736421e+00 4.00 -2.793241060e+00 -2.793241060e+00 4.02 -2.796188131e+00 -2.796188131e+00 4.04 -2.797830882e+00 -2.797830882e+00 4.06 -2.798447209e+00 -2.798447209e+00 4.08 -2.798291036e+00 -2.798291036e+00 4.10 -2.797544398e+00 -2.797544398e+00 4.12 -2.796286570e+00 -2.796286570e+00 4.14 -2.794490405e+00 -2.794490405e+00 4.16 -2.792039320e+00 -2.792039320e+00 4.18 -2.788768009e+00 -2.788768009e+00 4.20 -2.784501935e+00 -2.784501935e+00 4.22 -2.779085835e+00 -2.779085835e+00 4.24 -2.772399673e+00 -2.772399673e+00 4.26 -2.764364477e+00 -2.764364477e+00 4.28 -2.754941690e+00 -2.754941690e+00 4.30 -2.744126172e+00 -2.744126172e+00 4.32 -2.731934043e+00 -2.731934043e+00 4.34 -2.718386482e+00 -2.718386482e+00 4.36 -2.703507862e+00 -2.703507862e+00 4.38 -2.687322605e+00 -2.687322605e+00 4.40 -2.669858335e+00 -2.669858335e+00 4.42 -2.651144419e+00 -2.651144419e+00 4.44 -2.631212142e+00 -2.631212142e+00 4.46 -2.610093973e+00 -2.610093973e+00 4.48 -2.587825134e+00 -2.587825134e+00 4.50 -2.564441838e+00 -2.564441838e+00 4.52 -2.539981762e+00 -2.539981762e+00 4.54 -2.514485613e+00 -2.514485613e+00 4.56 -2.487993972e+00 -2.487993972e+00 4.58 -2.460550181e+00 -2.460550181e+00 4.60 -2.432197901e+00 -2.432197901e+00 4.62 -2.402983307e+00 -2.402983307e+00 4.64 -2.372953634e+00 -2.372953634e+00 4.66 -2.342156038e+00 -2.342156038e+00 4.68 -2.310640535e+00 -2.310640535e+00 4.70 -2.278456281e+00 -2.278456281e+00 4.72 -2.245654851e+00 -2.245654851e+00 4.74 -2.212287352e+00 -2.212287352e+00 4.76 -2.178405197e+00 -2.178405197e+00 4.78 -2.144062378e+00 -2.144062378e+00 4.80 -2.109310366e+00 -2.109310366e+00 4.82 -2.074201082e+00 -2.074201082e+00 4.84 -2.038787820e+00 -2.038787820e+00 4.86 -2.003122716e+00 -2.003122716e+00 4.88 -1.967256726e+00 -1.967256726e+00 4.90 -1.931233998e+00 -1.931233998e+00 4.92 -1.895100020e+00 -1.895100020e+00 4.94 -1.858897731e+00 -1.858897731e+00 4.96 -1.822667902e+00 -1.822667902e+00 4.98 -1.786450939e+00 -1.786450939e+00 5.00 -1.750284444e+00 -1.750284444e+00 5.02 -1.714193932e+00 -1.714193932e+00 5.04 -1.678209282e+00 -1.678209282e+00 5.06 -1.642374817e+00 -1.642374817e+00 5.08 -1.606740102e+00 -1.606740102e+00 5.10 -1.571364047e+00 -1.571364047e+00 5.12 -1.536310046e+00 -1.536310046e+00 5.14 -1.501640557e+00 -1.501640557e+00 5.16 -1.467425774e+00 -1.467425774e+00 5.18 -1.433683619e+00 -1.433683619e+00 5.20 -1.400384856e+00 -1.400384856e+00 5.22 -1.367494797e+00 -1.367494797e+00 5.24 -1.334910725e+00 -1.334910725e+00 5.26 -1.302542274e+00 -1.302542274e+00 5.28 -1.270319756e+00 -1.270319756e+00 5.30 -1.238207749e+00 -1.238207749e+00 5.32 -1.206230540e+00 -1.206230540e+00 5.34 -1.174364573e+00 -1.174364573e+00 5.36 -1.142706576e+00 -1.142706576e+00 5.38 -1.111589884e+00 -1.111589884e+00 5.40 -1.081290920e+00 -1.081290920e+00 5.42 -1.051977712e+00 -1.051977712e+00 5.44 -1.023814343e+00 -1.023814343e+00 5.46 -9.968383151e-01 -9.968383151e-01 5.48 -9.712949714e-01 -9.712949714e-01 5.50 -9.473331967e-01 -9.473331967e-01 5.52 -9.245568152e-01 -9.245568152e-01 5.54 -9.024613376e-01 -9.024613376e-01 5.56 -8.806739482e-01 -8.806739482e-01 5.58 -8.588320774e-01 -8.588320774e-01 5.60 -8.365346409e-01 -8.365346409e-01 5.62 -8.135377375e-01 -8.135377375e-01 5.64 -7.898214643e-01 -7.898214643e-01 5.66 -7.652938392e-01 -7.652938392e-01 5.68 -7.399287921e-01 -7.399287921e-01 5.70 -7.138120550e-01 -7.138120550e-01 5.72 -6.872516548e-01 -6.872516548e-01 5.74 -6.605348287e-01 -6.605348287e-01 5.76 -6.339231128e-01 -6.339231128e-01 5.78 -6.076589770e-01 -6.076589770e-01 5.80 -5.819612207e-01 -5.819612207e-01 5.82 -5.570270175e-01 -5.570270175e-01 5.84 -5.330995009e-01 -5.330995009e-01 5.86 -5.103733351e-01 -5.103733351e-01 5.88 -4.889850450e-01 -4.889850450e-01 5.90 -4.690217375e-01 -4.690217375e-01 5.92 -4.505292582e-01 -4.505292582e-01 5.94 -4.335187001e-01 -4.335187001e-01 5.96 -4.179722598e-01 -4.179722598e-01 5.98 -4.038470550e-01 -4.038470550e-01 6.00 -3.910566300e-01 -3.910566300e-01