# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Dickel-D-E-Baskes-M-I-Aslam-I-Barrett-C-D--Mg-Al-Zn # implementation = 2018--Dickel-D-E--Mg-Al-Zn--LAMMPS--ipr1 # composition = AlMgZn2 # 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 1.928628211e+02 1.928628211e+02 1.14 1.772082615e+02 1.772082615e+02 1.16 1.628220557e+02 1.628220557e+02 1.18 1.496229869e+02 1.496229869e+02 1.20 1.375287110e+02 1.375287110e+02 1.22 1.264577589e+02 1.264577589e+02 1.24 1.163309681e+02 1.163309681e+02 1.26 1.070724685e+02 1.070724685e+02 1.28 9.861032851e+01 9.861032851e+01 1.30 9.087693882e+01 9.087693882e+01 1.32 8.380920036e+01 8.380920036e+01 1.34 7.734856552e+01 7.734856552e+01 1.36 7.144097267e+01 7.144097267e+01 1.38 6.603670472e+01 6.603670472e+01 1.40 6.109019580e+01 6.109019580e+01 1.42 5.655980435e+01 5.655980435e+01 1.44 5.240771006e+01 5.240771006e+01 1.46 4.853785744e+01 4.853785744e+01 1.48 4.484905494e+01 4.484905494e+01 1.50 4.135737710e+01 4.135737710e+01 1.52 3.807191908e+01 3.807191908e+01 1.54 3.499517801e+01 3.499517801e+01 1.56 3.212488079e+01 3.212488079e+01 1.58 2.945539356e+01 2.945539356e+01 1.60 2.697880053e+01 2.697880053e+01 1.62 2.468572263e+01 2.468572263e+01 1.64 2.256593204e+01 2.256593204e+01 1.66 2.060880744e+01 2.060880744e+01 1.68 1.880366572e+01 1.880366572e+01 1.70 1.713999821e+01 1.713999821e+01 1.72 1.560763397e+01 1.560763397e+01 1.74 1.419684759e+01 1.419684759e+01 1.76 1.289842541e+01 1.289842541e+01 1.78 1.170370090e+01 1.170370090e+01 1.80 1.060456752e+01 1.060456752e+01 1.82 9.593475505e+00 9.593475505e+00 1.84 8.663417533e+00 8.663417533e+00 1.86 7.807907027e+00 7.807907027e+00 1.88 7.020951790e+00 7.020951790e+00 1.90 6.297025121e+00 6.297025121e+00 1.92 5.631035856e+00 5.631035856e+00 1.94 5.018298413e+00 5.018298413e+00 1.96 4.454503564e+00 4.454503564e+00 1.98 3.935690409e+00 3.935690409e+00 2.00 3.458219848e+00 3.458219848e+00 2.02 3.018749711e+00 3.018749711e+00 2.04 2.614211519e+00 2.614211519e+00 2.06 2.241788499e+00 2.241788499e+00 2.08 1.898896223e+00 1.898896223e+00 2.10 1.583164699e+00 1.583164699e+00 2.12 1.292421564e+00 1.292421564e+00 2.14 1.024676625e+00 1.024676625e+00 2.16 7.781076518e-01 7.781076518e-01 2.18 5.510473039e-01 5.510473039e-01 2.20 3.419710953e-01 3.419710953e-01 2.22 1.494863013e-01 1.494863013e-01 2.24 -2.767830252e-02 -2.767830252e-02 2.26 -1.906840030e-01 -1.906840030e-01 2.28 -3.405975217e-01 -3.405975217e-01 2.30 -4.784002428e-01 -4.784002428e-01 2.32 -6.049941543e-01 -6.049941543e-01 2.34 -7.212073951e-01 -7.212073951e-01 2.36 -8.277994771e-01 -8.277994771e-01 2.38 -9.254662020e-01 -9.254662020e-01 2.40 -1.014844287e+00 -1.014844287e+00 2.42 -1.096515718e+00 -1.096515718e+00 2.44 -1.171011840e+00 -1.171011840e+00 2.46 -1.238817211e+00 -1.238817211e+00 2.48 -1.300373209e+00 -1.300373209e+00 2.50 -1.356081437e+00 -1.356081437e+00 2.52 -1.406306993e+00 -1.406306993e+00 2.54 -1.451384936e+00 -1.451384936e+00 2.56 -1.491630407e+00 -1.491630407e+00 2.58 -1.527341689e+00 -1.527341689e+00 2.60 -1.558801064e+00 -1.558801064e+00 2.62 -1.586275622e+00 -1.586275622e+00 2.64 -1.610018036e+00 -1.610018036e+00 2.66 -1.630267287e+00 -1.630267287e+00 2.68 -1.647249365e+00 -1.647249365e+00 2.70 -1.661177929e+00 -1.661177929e+00 2.72 -1.672254937e+00 -1.672254937e+00 2.74 -1.680671242e+00 -1.680671242e+00 2.76 -1.686607162e+00 -1.686607162e+00 2.78 -1.690233023e+00 -1.690233023e+00 2.80 -1.691709668e+00 -1.691709668e+00 2.82 -1.691188949e+00 -1.691188949e+00 2.84 -1.688814187e+00 -1.688814187e+00 2.86 -1.684720985e+00 -1.684720985e+00 2.88 -1.679106915e+00 -1.679106915e+00 2.90 -1.672311196e+00 -1.672311196e+00 2.92 -1.664656761e+00 -1.664656761e+00 2.94 -1.656425623e+00 -1.656425623e+00 2.96 -1.647862617e+00 -1.647862617e+00 2.98 -1.639178901e+00 -1.639178901e+00 3.00 -1.630555176e+00 -1.630555176e+00 3.02 -1.622144648e+00 -1.622144648e+00 3.04 -1.614075750e+00 -1.614075750e+00 3.06 -1.606454638e+00 -1.606454638e+00 3.08 -1.599367489e+00 -1.599367489e+00 3.10 -1.592882600e+00 -1.592882600e+00 3.12 -1.587052315e+00 -1.587052315e+00 3.14 -1.581914791e+00 -1.581914791e+00 3.16 -1.577495606e+00 -1.577495606e+00 3.18 -1.573809239e+00 -1.573809239e+00 3.20 -1.570860408e+00 -1.570860408e+00 3.22 -1.568645301e+00 -1.568645301e+00 3.24 -1.567152687e+00 -1.567152687e+00 3.26 -1.566364936e+00 -1.566364936e+00 3.28 -1.566258937e+00 -1.566258937e+00 3.30 -1.566806932e+00 -1.566806932e+00 3.32 -1.567977275e+00 -1.567977275e+00 3.34 -1.569735113e+00 -1.569735113e+00 3.36 -1.572043001e+00 -1.572043001e+00 3.38 -1.574861455e+00 -1.574861455e+00 3.40 -1.578149450e+00 -1.578149450e+00 3.42 -1.581864864e+00 -1.581864864e+00 3.44 -1.585964872e+00 -1.585964872e+00 3.46 -1.590406304e+00 -1.590406304e+00 3.48 -1.595145950e+00 -1.595145950e+00 3.50 -1.600140843e+00 -1.600140843e+00 3.52 -1.605348492e+00 -1.605348492e+00 3.54 -1.610727101e+00 -1.610727101e+00 3.56 -1.616235749e+00 -1.616235749e+00 3.58 -1.621834544e+00 -1.621834544e+00 3.60 -1.627484761e+00 -1.627484761e+00 3.62 -1.633148962e+00 -1.633148962e+00 3.64 -1.638792563e+00 -1.638792563e+00 3.66 -1.644387874e+00 -1.644387874e+00 3.68 -1.649891492e+00 -1.649891492e+00 3.70 -1.655265207e+00 -1.655265207e+00 3.72 -1.660487556e+00 -1.660487556e+00 3.74 -1.665530183e+00 -1.665530183e+00 3.76 -1.670366352e+00 -1.670366352e+00 3.78 -1.674970957e+00 -1.674970957e+00 3.80 -1.679320514e+00 -1.679320514e+00 3.82 -1.683393148e+00 -1.683393148e+00 3.84 -1.687168577e+00 -1.687168577e+00 3.86 -1.690628086e+00 -1.690628086e+00 3.88 -1.693754498e+00 -1.693754498e+00 3.90 -1.696532144e+00 -1.696532144e+00 3.92 -1.698946822e+00 -1.698946822e+00 3.94 -1.700985760e+00 -1.700985760e+00 3.96 -1.702637575e+00 -1.702637575e+00 3.98 -1.703892227e+00 -1.703892227e+00 4.00 -1.704740971e+00 -1.704740971e+00 4.02 -1.705176315e+00 -1.705176315e+00 4.04 -1.705191969e+00 -1.705191969e+00 4.06 -1.704782793e+00 -1.704782793e+00 4.08 -1.703944755e+00 -1.703944755e+00 4.10 -1.702674874e+00 -1.702674874e+00 4.12 -1.700971177e+00 -1.700971177e+00 4.14 -1.698832646e+00 -1.698832646e+00 4.16 -1.696259168e+00 -1.696259168e+00 4.18 -1.693251494e+00 -1.693251494e+00 4.20 -1.689811181e+00 -1.689811181e+00 4.22 -1.685940556e+00 -1.685940556e+00 4.24 -1.681642662e+00 -1.681642662e+00 4.26 -1.676921220e+00 -1.676921220e+00 4.28 -1.671780578e+00 -1.671780578e+00 4.30 -1.666225677e+00 -1.666225677e+00 4.32 -1.660262003e+00 -1.660262003e+00 4.34 -1.653895550e+00 -1.653895550e+00 4.36 -1.647132781e+00 -1.647132781e+00 4.38 -1.639980592e+00 -1.639980592e+00 4.40 -1.632446273e+00 -1.632446273e+00 4.42 -1.624537474e+00 -1.624537474e+00 4.44 -1.616262176e+00 -1.616262176e+00 4.46 -1.607628652e+00 -1.607628652e+00 4.48 -1.598645442e+00 -1.598645442e+00 4.50 -1.589321322e+00 -1.589321322e+00 4.52 -1.579665276e+00 -1.579665276e+00 4.54 -1.569686469e+00 -1.569686469e+00 4.56 -1.559394224e+00 -1.559394224e+00 4.58 -1.548797994e+00 -1.548797994e+00 4.60 -1.537907346e+00 -1.537907346e+00 4.62 -1.526731931e+00 -1.526731931e+00 4.64 -1.515281473e+00 -1.515281473e+00 4.66 -1.503565745e+00 -1.503565745e+00 4.68 -1.491594550e+00 -1.491594550e+00 4.70 -1.479377710e+00 -1.479377710e+00 4.72 -1.466925047e+00 -1.466925047e+00 4.74 -1.454246370e+00 -1.454246370e+00 4.76 -1.441351459e+00 -1.441351459e+00 4.78 -1.428250061e+00 -1.428250061e+00 4.80 -1.414951869e+00 -1.414951869e+00 4.82 -1.401466520e+00 -1.401466520e+00 4.84 -1.387803581e+00 -1.387803581e+00 4.86 -1.373972545e+00 -1.373972545e+00 4.88 -1.359982820e+00 -1.359982820e+00 4.90 -1.345843728e+00 -1.345843728e+00 4.92 -1.331564493e+00 -1.331564493e+00 4.94 -1.317154242e+00 -1.317154242e+00 4.96 -1.302621998e+00 -1.302621998e+00 4.98 -1.287976678e+00 -1.287976678e+00 5.00 -1.273227093e+00 -1.273227093e+00 5.02 -1.258381940e+00 -1.258381940e+00 5.04 -1.243449808e+00 -1.243449808e+00 5.06 -1.228439171e+00 -1.228439171e+00 5.08 -1.213358393e+00 -1.213358393e+00 5.10 -1.198215724e+00 -1.198215724e+00 5.12 -1.183019304e+00 -1.183019304e+00 5.14 -1.167777162e+00 -1.167777162e+00 5.16 -1.152497217e+00 -1.152497217e+00 5.18 -1.137187279e+00 -1.137187279e+00 5.20 -1.121855052e+00 -1.121855052e+00 5.22 -1.106508135e+00 -1.106508135e+00 5.24 -1.091154021e+00 -1.091154021e+00 5.26 -1.075800100e+00 -1.075800100e+00 5.28 -1.060453664e+00 -1.060453664e+00 5.30 -1.045121899e+00 -1.045121899e+00 5.32 -1.029811893e+00 -1.029811893e+00 5.34 -1.014530633e+00 -1.014530633e+00 5.36 -9.992850055e-01 -9.992850055e-01 5.38 -9.840817954e-01 -9.840817954e-01 5.40 -9.689276841e-01 -9.689276841e-01 5.42 -9.538292480e-01 -9.538292480e-01 5.44 -9.387929559e-01 -9.387929559e-01 5.46 -9.238251652e-01 -9.238251652e-01 5.48 -9.089321179e-01 -9.089321179e-01 5.50 -8.941199359e-01 -8.941199359e-01 5.52 -8.793946154e-01 -8.793946154e-01 5.54 -8.647620206e-01 -8.647620206e-01 5.56 -8.502278772e-01 -8.502278772e-01 5.58 -8.357977640e-01 -8.357977640e-01 5.60 -8.214771060e-01 -8.214771060e-01 5.62 -8.072711647e-01 -8.072711647e-01 5.64 -7.931850302e-01 -7.931850302e-01 5.66 -7.792236111e-01 -7.792236111e-01 5.68 -7.653916257e-01 -7.653916257e-01 5.70 -7.516935922e-01 -7.516935922e-01 5.72 -7.381338195e-01 -7.381338195e-01 5.74 -7.247163977e-01 -7.247163977e-01 5.76 -7.114451898e-01 -7.114451898e-01 5.78 -6.983238228e-01 -6.983238228e-01 5.80 -6.853556804e-01 -6.853556804e-01 5.82 -6.725438956e-01 -6.725438956e-01 5.84 -6.598913453e-01 -6.598913453e-01 5.86 -6.474006446e-01 -6.474006446e-01 5.88 -6.350741430e-01 -6.350741430e-01 5.90 -6.229139218e-01 -6.229139218e-01 5.92 -6.092262531e-01 -6.092262531e-01 5.94 -5.727286407e-01 -5.727286407e-01 5.96 -4.614706773e-01 -4.614706773e-01 5.98 -2.289787173e-01 -2.289787173e-01 6.00 -2.336537374e-22 -2.372194313e-22