# 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_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003 # composition = AlMnPd2 # 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 6.183096737e+02 6.183096737e+02 1.28 5.378295410e+02 5.378295410e+02 1.30 4.691289218e+02 4.691289218e+02 1.32 4.103182655e+02 4.103182655e+02 1.34 3.598464804e+02 3.598464804e+02 1.36 3.164187398e+02 3.164187398e+02 1.38 2.789397616e+02 2.789397616e+02 1.40 2.464929110e+02 2.464929110e+02 1.42 2.183145027e+02 2.183145027e+02 1.44 1.937669576e+02 1.937669576e+02 1.46 1.723212745e+02 1.723212745e+02 1.48 1.535462929e+02 1.535462929e+02 1.50 1.370906507e+02 1.370906507e+02 1.52 1.226495902e+02 1.226495902e+02 1.54 1.093849182e+02 1.093849182e+02 1.56 9.759002484e+01 9.759002484e+01 1.58 8.714859478e+01 8.714859478e+01 1.60 7.789218676e+01 7.789218676e+01 1.62 6.968617844e+01 6.968617844e+01 1.64 6.243794954e+01 6.243794954e+01 1.66 5.598629934e+01 5.598629934e+01 1.68 5.021639241e+01 5.021639241e+01 1.70 4.503782165e+01 4.503782165e+01 1.72 4.037996019e+01 4.037996019e+01 1.74 3.614323208e+01 3.614323208e+01 1.76 3.232524960e+01 3.232524960e+01 1.78 2.889044536e+01 2.889044536e+01 1.80 2.579439071e+01 2.579439071e+01 1.82 2.299649493e+01 2.299649493e+01 1.84 2.046208067e+01 2.046208067e+01 1.86 1.816303229e+01 1.816303229e+01 1.88 1.607724888e+01 1.607724888e+01 1.90 1.418677787e+01 1.418677787e+01 1.92 1.247617607e+01 1.247617607e+01 1.94 1.093114800e+01 1.093114800e+01 1.96 9.536871949e+00 9.536871949e+00 1.98 8.276287862e+00 8.276287862e+00 2.00 7.130768817e+00 7.130768817e+00 2.02 6.082780439e+00 6.082780439e+00 2.04 5.117583355e+00 5.117583355e+00 2.06 4.223744460e+00 4.223744460e+00 2.08 3.392817589e+00 3.392817589e+00 2.10 2.618320807e+00 2.618320807e+00 2.12 1.895288395e+00 1.895288395e+00 2.14 1.220149190e+00 1.220149190e+00 2.16 5.907599737e-01 5.907599737e-01 2.18 6.334976381e-03 6.334976381e-03 2.20 -5.331740802e-01 -5.331740802e-01 2.22 -1.028334208e+00 -1.028334208e+00 2.24 -1.481291119e+00 -1.481291119e+00 2.26 -1.895664156e+00 -1.895664156e+00 2.28 -2.275472956e+00 -2.275472956e+00 2.30 -2.624283886e+00 -2.624283886e+00 2.32 -2.945175086e+00 -2.945175086e+00 2.34 -3.241041190e+00 -3.241041190e+00 2.36 -3.514520641e+00 -3.514520641e+00 2.38 -3.767470482e+00 -3.767470482e+00 2.40 -4.000434031e+00 -4.000434031e+00 2.42 -4.212757866e+00 -4.212757866e+00 2.44 -4.403211284e+00 -4.403211284e+00 2.46 -4.570555936e+00 -4.570555936e+00 2.48 -4.713858327e+00 -4.713858327e+00 2.50 -4.832651059e+00 -4.832651059e+00 2.52 -4.927055214e+00 -4.927055214e+00 2.54 -4.998086348e+00 -4.998086348e+00 2.56 -5.047846521e+00 -5.047846521e+00 2.58 -5.079131674e+00 -5.079131674e+00 2.60 -5.094466590e+00 -5.094466590e+00 2.62 -5.095270189e+00 -5.095270189e+00 2.64 -5.081880271e+00 -5.081880271e+00 2.66 -5.054280039e+00 -5.054280039e+00 2.68 -5.012749675e+00 -5.012749675e+00 2.70 -4.958025749e+00 -4.958025749e+00 2.72 -4.891150322e+00 -4.891150322e+00 2.74 -4.813239389e+00 -4.813239389e+00 2.76 -4.725221242e+00 -4.725221242e+00 2.78 -4.627874815e+00 -4.627874815e+00 2.80 -4.521978090e+00 -4.521978090e+00 2.82 -4.408438875e+00 -4.408438875e+00 2.84 -4.288385095e+00 -4.288385095e+00 2.86 -4.163180800e+00 -4.163180800e+00 2.88 -4.034331932e+00 -4.034331932e+00 2.90 -3.903286313e+00 -3.903286313e+00 2.92 -3.771225518e+00 -3.771225518e+00 2.94 -3.638973555e+00 -3.638973555e+00 2.96 -3.507057953e+00 -3.507057953e+00 2.98 -3.375850633e+00 -3.375850633e+00 3.00 -3.245694686e+00 -3.245694686e+00 3.02 -3.116972910e+00 -3.116972910e+00 3.04 -2.990122565e+00 -2.990122565e+00 3.06 -2.865604670e+00 -2.865604670e+00 3.08 -2.743835416e+00 -2.743835416e+00 3.10 -2.625160287e+00 -2.625160287e+00 3.12 -2.509849558e+00 -2.509849558e+00 3.14 -2.398095093e+00 -2.398095093e+00 3.16 -2.290010322e+00 -2.290010322e+00 3.18 -2.185636396e+00 -2.185636396e+00 3.20 -2.084957993e+00 -2.084957993e+00 3.22 -1.987933351e+00 -1.987933351e+00 3.24 -1.894530221e+00 -1.894530221e+00 3.26 -1.804743175e+00 -1.804743175e+00 3.28 -1.718508979e+00 -1.718508979e+00 3.30 -1.635330278e+00 -1.635330278e+00 3.32 -1.553056224e+00 -1.553056224e+00 3.34 -1.461935767e+00 -1.461935767e+00 3.36 -1.343750845e+00 -1.343750845e+00 3.38 -1.318872451e+00 -1.318872451e+00 3.40 -1.301723107e+00 -1.301723107e+00 3.42 -1.291179030e+00 -1.291179030e+00 3.44 -1.286082664e+00 -1.286082664e+00 3.46 -1.285508550e+00 -1.285508550e+00 3.48 -1.288879926e+00 -1.288879926e+00 3.50 -1.295938749e+00 -1.295938749e+00 3.52 -1.306619742e+00 -1.306619742e+00 3.54 -1.422302673e+00 -1.422302673e+00 3.56 -1.527855920e+00 -1.527855920e+00 3.58 -1.604709954e+00 -1.604709954e+00 3.60 -1.672314521e+00 -1.672314521e+00 3.62 -1.734975331e+00 -1.734975331e+00 3.64 -1.794382370e+00 -1.794382370e+00 3.66 -1.851345119e+00 -1.851345119e+00 3.68 -1.906262670e+00 -1.906262670e+00 3.70 -1.959271851e+00 -1.959271851e+00 3.72 -2.010341526e+00 -2.010341526e+00 3.74 -2.059343658e+00 -2.059343658e+00 3.76 -2.106092638e+00 -2.106092638e+00 3.78 -2.150368149e+00 -2.150368149e+00 3.80 -2.191929436e+00 -2.191929436e+00 3.82 -2.230525196e+00 -2.230525196e+00 3.84 -2.265902002e+00 -2.265902002e+00 3.86 -2.297813465e+00 -2.297813465e+00 3.88 -2.326032358e+00 -2.326032358e+00 3.90 -2.350368003e+00 -2.350368003e+00 3.92 -2.370690994e+00 -2.370690994e+00 3.94 -2.386966365e+00 -2.386966365e+00 3.96 -2.399293711e+00 -2.399293711e+00 3.98 -2.407948116e+00 -2.407948116e+00 4.00 -2.413409188e+00 -2.413409188e+00 4.02 -2.416359878e+00 -2.416359878e+00 4.04 -2.417636988e+00 -2.417636988e+00 4.06 -2.418127252e+00 -2.418127252e+00 4.08 -2.418626308e+00 -2.418626308e+00 4.10 -2.419701895e+00 -2.419701895e+00 4.12 -2.421609312e+00 -2.421609312e+00 4.14 -2.424287572e+00 -2.424287572e+00 4.16 -2.427429388e+00 -2.427429388e+00 4.18 -2.430590518e+00 -2.430590518e+00 4.20 -2.433298283e+00 -2.433298283e+00 4.22 -2.435132472e+00 -2.435132472e+00 4.24 -2.435770285e+00 -2.435770285e+00 4.26 -2.435000421e+00 -2.435000421e+00 4.28 -2.432716604e+00 -2.432716604e+00 4.30 -2.428899741e+00 -2.428899741e+00 4.32 -2.423582330e+00 -2.423582330e+00 4.34 -2.416805896e+00 -2.416805896e+00 4.36 -2.408612641e+00 -2.408612641e+00 4.38 -2.399045246e+00 -2.399045246e+00 4.40 -2.388146695e+00 -2.388146695e+00 4.42 -2.375960113e+00 -2.375960113e+00 4.44 -2.362528614e+00 -2.362528614e+00 4.46 -2.347895154e+00 -2.347895154e+00 4.48 -2.332102407e+00 -2.332102407e+00 4.50 -2.315192628e+00 -2.315192628e+00 4.52 -2.297207557e+00 -2.297207557e+00 4.54 -2.278188316e+00 -2.278188316e+00 4.56 -2.258175322e+00 -2.258175322e+00 4.58 -2.237208211e+00 -2.237208211e+00 4.60 -2.215325784e+00 -2.215325784e+00 4.62 -2.192565947e+00 -2.192565947e+00 4.64 -2.168965681e+00 -2.168965681e+00 4.66 -2.144561009e+00 -2.144561009e+00 4.68 -2.119386981e+00 -2.119386981e+00 4.70 -2.093477669e+00 -2.093477669e+00 4.72 -2.066866175e+00 -2.066866175e+00 4.74 -2.039584631e+00 -2.039584631e+00 4.76 -2.011664228e+00 -2.011664228e+00 4.78 -1.983135244e+00 -1.983135244e+00 4.80 -1.954027068e+00 -1.954027068e+00 4.82 -1.924368249e+00 -1.924368249e+00 4.84 -1.894186519e+00 -1.894186519e+00 4.86 -1.863508864e+00 -1.863508864e+00 4.88 -1.832361540e+00 -1.832361540e+00 4.90 -1.800770135e+00 -1.800770135e+00 4.92 -1.768759610e+00 -1.768759610e+00 4.94 -1.736354340e+00 -1.736354340e+00 4.96 -1.703578165e+00 -1.703578165e+00 4.98 -1.670454397e+00 -1.670454397e+00 5.00 -1.637005890e+00 -1.637005890e+00 5.02 -1.603255053e+00 -1.603255053e+00 5.04 -1.569223883e+00 -1.569223883e+00 5.06 -1.534933969e+00 -1.534933969e+00 5.08 -1.500406530e+00 -1.500406530e+00 5.10 -1.465662433e+00 -1.465662433e+00 5.12 -1.430722162e+00 -1.430722162e+00 5.14 -1.395605921e+00 -1.395605921e+00 5.16 -1.360333519e+00 -1.360333519e+00 5.18 -1.324924813e+00 -1.324924813e+00 5.20 -1.289399024e+00 -1.289399024e+00 5.22 -1.253775725e+00 -1.253775725e+00 5.24 -1.218074003e+00 -1.218074003e+00 5.26 -1.182314206e+00 -1.182314206e+00 5.28 -1.146516378e+00 -1.146516378e+00 5.30 -1.110701610e+00 -1.110701610e+00 5.32 -1.074893719e+00 -1.074893719e+00 5.34 -1.039118422e+00 -1.039118422e+00 5.36 -1.003405960e+00 -1.003405960e+00 5.38 -9.677905684e-01 -9.677905684e-01 5.40 -9.323156718e-01 -9.323156718e-01 5.42 -8.970374781e-01 -8.970374781e-01 5.44 -8.620138534e-01 -8.620138534e-01 5.46 -8.273306721e-01 -8.273306721e-01 5.48 -7.930878961e-01 -7.930878961e-01 5.50 -7.594052883e-01 -7.594052883e-01 5.52 -7.263895961e-01 -7.263895961e-01 5.54 -6.941998788e-01 -6.941998788e-01 5.56 -6.629266194e-01 -6.629266194e-01 5.58 -6.326940060e-01 -6.326940060e-01 5.60 -6.035355361e-01 -6.035355361e-01 5.62 -5.754488255e-01 -5.754488255e-01 5.64 -5.484157905e-01 -5.484157905e-01 5.66 -5.224196595e-01 -5.224196595e-01 5.68 -4.974564823e-01 -4.974564823e-01 5.70 -4.735027231e-01 -4.735027231e-01 5.72 -4.507087021e-01 -4.507087021e-01 5.74 -4.291293984e-01 -4.291293984e-01 5.76 -4.089372638e-01 -4.089372638e-01 5.78 -3.902467379e-01 -3.902467379e-01 5.80 -3.731514887e-01 -3.731514887e-01 5.82 -3.577177448e-01 -3.577177448e-01 5.84 -3.439456657e-01 -3.439456657e-01 5.86 -3.317819228e-01 -3.317819228e-01 5.88 -3.211269182e-01 -3.211269182e-01 5.90 -3.118462861e-01 -3.118462861e-01 5.92 -3.037851829e-01 -3.037851829e-01 5.94 -2.967844742e-01 -2.967844742e-01 5.96 -2.906882297e-01 -2.906882297e-01 5.98 -2.853538537e-01 -2.853538537e-01 6.00 -2.806586844e-01 -2.806586844e-01