# 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 = AlMn2Pd # 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 2.545748003e+02 2.545748003e+02 1.28 2.291755248e+02 2.291755248e+02 1.30 2.068581070e+02 2.068581070e+02 1.32 1.871781507e+02 1.871781507e+02 1.34 1.697739369e+02 1.697739369e+02 1.36 1.543292377e+02 1.543292377e+02 1.38 1.405707736e+02 1.405707736e+02 1.40 1.282779543e+02 1.282779543e+02 1.42 1.172666990e+02 1.172666990e+02 1.44 1.073735961e+02 1.073735961e+02 1.46 9.846027234e+01 9.846027234e+01 1.48 9.041924665e+01 9.041924665e+01 1.50 8.316350924e+01 8.316350924e+01 1.52 7.660544216e+01 7.660544216e+01 1.54 7.065282757e+01 7.065282757e+01 1.56 6.522648120e+01 6.522648120e+01 1.58 6.026959298e+01 6.026959298e+01 1.60 5.574093503e+01 5.574093503e+01 1.62 5.160243579e+01 5.160243579e+01 1.64 4.781085241e+01 4.781085241e+01 1.66 4.432153160e+01 4.432153160e+01 1.68 4.109764630e+01 4.109764630e+01 1.70 3.778362016e+01 3.778362016e+01 1.72 3.401168282e+01 3.401168282e+01 1.74 3.056393694e+01 3.056393694e+01 1.76 2.741203242e+01 2.741203242e+01 1.78 2.452631829e+01 2.452631829e+01 1.80 2.187462961e+01 2.187462961e+01 1.82 1.942726734e+01 1.942726734e+01 1.84 1.716129864e+01 1.716129864e+01 1.86 1.506647696e+01 1.506647696e+01 1.88 1.313564049e+01 1.313564049e+01 1.90 1.136140070e+01 1.136140070e+01 1.92 9.740397072e+00 9.740397072e+00 1.94 8.269748538e+00 8.269748538e+00 1.96 6.942122068e+00 6.942122068e+00 1.98 5.743328189e+00 5.743328189e+00 2.00 4.655910029e+00 4.655910029e+00 2.02 3.664544393e+00 3.664544393e+00 2.04 2.757992179e+00 2.757992179e+00 2.06 1.928032691e+00 1.928032691e+00 2.08 1.168004801e+00 1.168004801e+00 2.10 4.721651918e-01 4.721651918e-01 2.12 -1.643385853e-01 -1.643385853e-01 2.14 -7.453850069e-01 -7.453850069e-01 2.16 -1.273834763e+00 -1.273834763e+00 2.18 -1.751765476e+00 -1.751765476e+00 2.20 -2.181287716e+00 -2.181287716e+00 2.22 -2.565748767e+00 -2.565748767e+00 2.24 -2.910249748e+00 -2.910249748e+00 2.26 -3.220669757e+00 -3.220669757e+00 2.28 -3.502066231e+00 -3.502066231e+00 2.30 -3.757954321e+00 -3.757954321e+00 2.32 -3.990701127e+00 -3.990701127e+00 2.34 -4.202230153e+00 -4.202230153e+00 2.36 -4.394328410e+00 -4.394328410e+00 2.38 -4.568413580e+00 -4.568413580e+00 2.40 -4.725267805e+00 -4.725267805e+00 2.42 -4.865081900e+00 -4.865081900e+00 2.44 -4.987700455e+00 -4.987700455e+00 2.46 -5.092835590e+00 -5.092835590e+00 2.48 -5.180150814e+00 -5.180150814e+00 2.50 -5.249251281e+00 -5.249251281e+00 2.52 -5.299639869e+00 -5.299639869e+00 2.54 -5.330777299e+00 -5.330777299e+00 2.56 -5.342227332e+00 -5.342227332e+00 2.58 -5.333817164e+00 -5.333817164e+00 2.60 -5.305810080e+00 -5.305810080e+00 2.62 -5.259107851e+00 -5.259107851e+00 2.64 -5.195398345e+00 -5.195398345e+00 2.66 -5.117031870e+00 -5.117031870e+00 2.68 -5.026540374e+00 -5.026540374e+00 2.70 -4.926068360e+00 -4.926068360e+00 2.72 -4.817088036e+00 -4.817088036e+00 2.74 -4.700488534e+00 -4.700488534e+00 2.76 -4.576857025e+00 -4.576857025e+00 2.78 -4.446727137e+00 -4.446727137e+00 2.80 -4.310718123e+00 -4.310718123e+00 2.82 -4.169541041e+00 -4.169541041e+00 2.84 -4.023964324e+00 -4.023964324e+00 2.86 -3.874813275e+00 -3.874813275e+00 2.88 -3.722927284e+00 -3.722927284e+00 2.90 -3.569063867e+00 -3.569063867e+00 2.92 -3.413790479e+00 -3.413790479e+00 2.94 -3.257421631e+00 -3.257421631e+00 2.96 -3.100020078e+00 -3.100020078e+00 2.98 -2.941427037e+00 -2.941427037e+00 3.00 -2.781267508e+00 -2.781267508e+00 3.02 -2.618885653e+00 -2.618885653e+00 3.04 -2.453157986e+00 -2.453157986e+00 3.06 -2.282044933e+00 -2.282044933e+00 3.08 -2.101413790e+00 -2.101413790e+00 3.10 -1.900998447e+00 -1.900998447e+00 3.12 -1.634655950e+00 -1.634655950e+00 3.14 -1.333623927e+00 -1.333623927e+00 3.16 -1.227843752e+00 -1.227843752e+00 3.18 -1.120051791e+00 -1.120051791e+00 3.20 -1.004983905e+00 -1.004983905e+00 3.22 -8.881042905e-01 -8.881042905e-01 3.24 -8.963880876e-01 -8.963880876e-01 3.26 -9.039259222e-01 -9.039259222e-01 3.28 -9.105628424e-01 -9.105628424e-01 3.30 -9.161396380e-01 -9.161396380e-01 3.32 -9.204978546e-01 -9.204978546e-01 3.34 -9.234875580e-01 -9.234875580e-01 3.36 -9.249836012e-01 -9.249836012e-01 3.38 -9.249187356e-01 -9.249187356e-01 3.40 -9.233388230e-01 -9.233388230e-01 3.42 -9.204731610e-01 -9.204731610e-01 3.44 -9.167930819e-01 -9.167930819e-01 3.46 -9.130162978e-01 -9.130162978e-01 3.48 -9.100231955e-01 -9.100231955e-01 3.50 -9.086940822e-01 -9.086940822e-01 3.52 -9.097294419e-01 -9.097294419e-01 3.54 -9.135342861e-01 -9.135342861e-01 3.56 -9.202035880e-01 -9.202035880e-01 3.58 -9.295885389e-01 -9.295885389e-01 3.60 -9.413977841e-01 -9.413977841e-01 3.62 -9.552901749e-01 -9.552901749e-01 3.64 -9.709379576e-01 -9.709379576e-01 3.66 -9.880586537e-01 -9.880586537e-01 3.68 -1.006417606e+00 -1.006417606e+00 3.70 -1.025793496e+00 -1.025793496e+00 3.72 -1.045959940e+00 -1.045959940e+00 3.74 -1.066688085e+00 -1.066688085e+00 3.76 -1.087749943e+00 -1.087749943e+00 3.78 -1.108921436e+00 -1.108921436e+00 3.80 -1.129985095e+00 -1.129985095e+00 3.82 -1.150732405e+00 -1.150732405e+00 3.84 -1.202539251e+00 -1.202539251e+00 3.86 -1.275785169e+00 -1.275785169e+00 3.88 -1.338507667e+00 -1.338507667e+00 3.90 -1.394662679e+00 -1.394662679e+00 3.92 -1.445501797e+00 -1.445501797e+00 3.94 -1.491646945e+00 -1.491646945e+00 3.96 -1.533527339e+00 -1.533527339e+00 3.98 -1.571542716e+00 -1.571542716e+00 4.00 -1.606136342e+00 -1.606136342e+00 4.02 -1.637816266e+00 -1.637816266e+00 4.04 -1.667132639e+00 -1.667132639e+00 4.06 -1.694617331e+00 -1.694617331e+00 4.08 -1.720703770e+00 -1.720703770e+00 4.10 -1.926116615e+00 -1.926116615e+00 4.12 -2.014823334e+00 -2.014823334e+00 4.14 -2.082260864e+00 -2.082260864e+00 4.16 -2.138588379e+00 -2.138588379e+00 4.18 -2.187229230e+00 -2.187229230e+00 4.20 -2.229718477e+00 -2.229718477e+00 4.22 -2.266868939e+00 -2.266868939e+00 4.24 -2.299182610e+00 -2.299182610e+00 4.26 -2.327022138e+00 -2.327022138e+00 4.28 -2.350686022e+00 -2.350686022e+00 4.30 -2.370440876e+00 -2.370440876e+00 4.32 -2.386526893e+00 -2.386526893e+00 4.34 -2.399151031e+00 -2.399151031e+00 4.36 -2.408493728e+00 -2.408493728e+00 4.38 -2.414716366e+00 -2.414716366e+00 4.40 -2.417966482e+00 -2.417966482e+00 4.42 -2.418381414e+00 -2.418381414e+00 4.44 -2.416090977e+00 -2.416090977e+00 4.46 -2.411219349e+00 -2.411219349e+00 4.48 -2.403886491e+00 -2.403886491e+00 4.50 -2.394209156e+00 -2.394209156e+00 4.52 -2.382301625e+00 -2.382301625e+00 4.54 -2.368276225e+00 -2.368276225e+00 4.56 -2.352243666e+00 -2.352243666e+00 4.58 -2.334313254e+00 -2.334313254e+00 4.60 -2.314592986e+00 -2.314592986e+00 4.62 -2.293189579e+00 -2.293189579e+00 4.64 -2.270208408e+00 -2.270208408e+00 4.66 -2.245753402e+00 -2.245753402e+00 4.68 -2.219926898e+00 -2.219926898e+00 4.70 -2.192829458e+00 -2.192829458e+00 4.72 -2.164559667e+00 -2.164559667e+00 4.74 -2.135213913e+00 -2.135213913e+00 4.76 -2.104886167e+00 -2.104886167e+00 4.78 -2.073667754e+00 -2.073667754e+00 4.80 -2.041647137e+00 -2.041647137e+00 4.82 -2.008909708e+00 -2.008909708e+00 4.84 -1.975537605e+00 -1.975537605e+00 4.86 -1.941609537e+00 -1.941609537e+00 4.88 -1.907200648e+00 -1.907200648e+00 4.90 -1.872382399e+00 -1.872382399e+00 4.92 -1.837222489e+00 -1.837222489e+00 4.94 -1.801784799e+00 -1.801784799e+00 4.96 -1.766129382e+00 -1.766129382e+00 4.98 -1.730312471e+00 -1.730312471e+00 5.00 -1.694386531e+00 -1.694386531e+00 5.02 -1.658400338e+00 -1.658400338e+00 5.04 -1.622399078e+00 -1.622399078e+00 5.06 -1.586424488e+00 -1.586424488e+00 5.08 -1.550515005e+00 -1.550515005e+00 5.10 -1.514705941e+00 -1.514705941e+00 5.12 -1.479029658e+00 -1.479029658e+00 5.14 -1.443515771e+00 -1.443515771e+00 5.16 -1.408191344e+00 -1.408191344e+00 5.18 -1.373081073e+00 -1.373081073e+00 5.20 -1.338207488e+00 -1.338207488e+00 5.22 -1.303591108e+00 -1.303591108e+00 5.24 -1.269250606e+00 -1.269250606e+00 5.26 -1.235202929e+00 -1.235202929e+00 5.28 -1.201463404e+00 -1.201463404e+00 5.30 -1.168045784e+00 -1.168045784e+00 5.32 -1.134962280e+00 -1.134962280e+00 5.34 -1.102223544e+00 -1.102223544e+00 5.36 -1.069838567e+00 -1.069838567e+00 5.38 -1.037814607e+00 -1.037814607e+00 5.40 -1.006157009e+00 -1.006157009e+00 5.42 -9.748690323e-01 -9.748690323e-01 5.44 -9.439516593e-01 -9.439516593e-01 5.46 -9.134034251e-01 -9.134034251e-01 5.48 -8.832203379e-01 -8.832203379e-01 5.50 -8.533958734e-01 -8.533958734e-01 5.52 -8.239212207e-01 -8.239212207e-01 5.54 -7.947857873e-01 -7.947857873e-01 5.56 -7.659781133e-01 -7.659781133e-01 5.58 -7.374872407e-01 -7.374872407e-01 5.60 -7.093045550e-01 -7.093045550e-01 5.62 -6.814261275e-01 -6.814261275e-01 5.64 -6.538553435e-01 -6.538553435e-01 5.66 -6.266056567e-01 -6.266056567e-01 5.68 -5.997027952e-01 -5.997027952e-01 5.70 -5.731862068e-01 -5.731862068e-01 5.72 -5.471087767e-01 -5.471087767e-01 5.74 -5.215350479e-01 -5.215350479e-01 5.76 -4.965374114e-01 -4.965374114e-01 5.78 -4.721905207e-01 -4.721905207e-01 5.80 -4.485655079e-01 -4.485655079e-01 5.82 -4.257240921e-01 -4.257240921e-01 5.84 -4.037142027e-01 -4.037142027e-01 5.86 -3.825669734e-01 -3.825669734e-01 5.88 -3.622968909e-01 -3.622968909e-01 5.90 -3.429022728e-01 -3.429022728e-01 5.92 -3.243689281e-01 -3.243689281e-01 5.94 -3.066728862e-01 -3.066728862e-01 5.96 -2.897835838e-01 -2.897835838e-01 5.98 -2.736680761e-01 -2.736680761e-01 6.00 -2.582920209e-01 -2.582920209e-01