# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = Cl2CsId # 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 1.245689747e+05 1.245689747e+05 1.42 nan nan 1.44 8.870152978e+04 8.870152978e+04 1.46 7.510791931e+04 7.510791931e+04 1.48 6.373781668e+04 6.373781668e+04 1.50 5.420505223e+04 5.420505223e+04 1.52 4.619398116e+04 4.619398116e+04 1.54 3.944650819e+04 3.944650819e+04 1.56 3.375097163e+04 3.375097163e+04 1.58 2.893284971e+04 2.893284971e+04 1.60 2.484885446e+04 2.484885446e+04 1.62 2.138013044e+04 2.138013044e+04 1.64 1.842801285e+04 1.842801285e+04 1.66 1.591088164e+04 1.591088164e+04 1.68 1.376049760e+04 1.376049760e+04 1.70 1.192017831e+04 1.192017831e+04 1.72 1.034240975e+04 1.034240975e+04 1.74 8.987408525e+03 8.987408525e+03 1.76 7.821783823e+03 7.821783823e+03 1.78 6.817399818e+03 6.817399818e+03 1.80 5.950499445e+03 5.950499445e+03 1.82 5.201148864e+03 5.201148864e+03 1.84 4.552431806e+03 4.552431806e+03 1.86 3.989997402e+03 3.989997402e+03 1.88 3.501611038e+03 3.501611038e+03 1.90 3.076950873e+03 3.076950873e+03 1.92 2.707196209e+03 2.707196209e+03 1.94 2.384812889e+03 2.384812889e+03 1.96 2.103344760e+03 2.103344760e+03 1.98 1.857265009e+03 1.857265009e+03 2.00 1.641862279e+03 1.641862279e+03 2.02 1.453077419e+03 1.453077419e+03 2.04 1.287421916e+03 1.287421916e+03 2.06 1.141886704e+03 1.141886704e+03 2.08 1.013876704e+03 1.013876704e+03 2.10 9.011571679e+02 9.011571679e+02 2.12 8.017528646e+02 8.017528646e+02 2.14 7.140233024e+02 7.140233024e+02 2.16 6.365164077e+02 6.365164077e+02 2.18 5.679594860e+02 5.679594860e+02 2.20 5.072552439e+02 5.072552439e+02 2.22 4.534548433e+02 4.534548433e+02 2.24 4.057241157e+02 4.057241157e+02 2.26 3.633349319e+02 3.633349319e+02 2.28 3.256382684e+02 3.256382684e+02 2.30 2.920921357e+02 2.920921357e+02 2.32 2.622127032e+02 2.622127032e+02 2.34 2.355720086e+02 2.355720086e+02 2.36 2.117988633e+02 2.117988633e+02 2.38 1.905641608e+02 1.905641608e+02 2.40 1.715788061e+02 1.715788061e+02 2.42 1.545890683e+02 1.545890683e+02 2.44 1.393712446e+02 1.393712446e+02 2.46 1.257282544e+02 1.257282544e+02 2.48 1.134826117e+02 1.134826117e+02 2.50 1.024819596e+02 1.024819596e+02 2.52 9.259451909e+01 9.259451909e+01 2.54 8.370061403e+01 8.370061403e+01 2.56 7.569271665e+01 7.569271665e+01 2.58 6.847795618e+01 6.847795618e+01 2.60 6.197311090e+01 6.197311090e+01 2.62 5.610429484e+01 5.610429484e+01 2.64 5.080568761e+01 5.080568761e+01 2.66 4.601860897e+01 4.601860897e+01 2.68 4.169099085e+01 4.169099085e+01 2.70 3.777631620e+01 3.777631620e+01 2.72 3.423139502e+01 3.423139502e+01 2.74 3.101813694e+01 3.101813694e+01 2.76 2.810463021e+01 2.810463021e+01 2.78 2.546296902e+01 2.546296902e+01 2.80 2.306774748e+01 2.306774748e+01 2.82 2.089475396e+01 2.089475396e+01 2.84 1.892243147e+01 1.892243147e+01 2.86 1.713146964e+01 1.713146964e+01 2.88 1.550479605e+01 1.550479605e+01 2.90 1.402679084e+01 1.402679084e+01 2.92 1.268333808e+01 1.268333808e+01 2.94 1.146179703e+01 1.146179703e+01 2.96 1.035061851e+01 1.035061851e+01 2.98 9.339458507e+00 9.339458507e+00 3.00 8.417833181e+00 8.417833181e+00 3.02 7.578452606e+00 7.578452606e+00 3.04 6.813888793e+00 6.813888793e+00 3.06 6.117208189e+00 6.117208189e+00 3.08 5.482136222e+00 5.482136222e+00 3.10 4.902993471e+00 4.902993471e+00 3.12 4.373780676e+00 4.373780676e+00 3.14 3.889923507e+00 3.889923507e+00 3.16 3.448283034e+00 3.448283034e+00 3.18 3.044976901e+00 3.044976901e+00 3.20 2.676522690e+00 2.676522690e+00 3.22 2.339824704e+00 2.339824704e+00 3.24 2.032031731e+00 2.032031731e+00 3.26 1.750568007e+00 1.750568007e+00 3.28 1.493112817e+00 1.493112817e+00 3.30 1.257231598e+00 1.257231598e+00 3.32 1.041335460e+00 1.041335460e+00 3.34 8.437786244e-01 8.437786244e-01 3.36 6.630156009e-01 6.630156009e-01 3.38 4.976124437e-01 4.976124437e-01 3.40 3.462680636e-01 3.462680636e-01 3.42 2.077999242e-01 2.077999242e-01 3.44 8.113138745e-02 8.113138745e-02 3.46 -3.471938603e-02 -3.471938603e-02 3.48 -1.406490961e-01 -1.406490961e-01 3.50 -2.374776600e-01 -2.374776600e-01 3.52 -3.259540445e-01 -3.259540445e-01 3.54 -4.067664921e-01 -4.067664921e-01 3.56 -4.805444122e-01 -4.805444122e-01 3.58 -5.478633471e-01 -5.478633471e-01 3.60 -6.093525250e-01 -6.093525250e-01 3.62 -6.653747509e-01 -6.653747509e-01 3.64 -7.168929520e-01 -7.168929520e-01 3.66 -7.639595762e-01 -7.639595762e-01 3.68 -8.065845724e-01 -8.065845724e-01 3.70 -8.451393994e-01 -8.451393994e-01 3.72 -8.802116917e-01 -8.802116917e-01 3.74 -9.118946839e-01 -9.118946839e-01 3.76 -9.403641531e-01 -9.403641531e-01 3.78 -9.658675500e-01 -9.658675500e-01 3.80 -9.886298179e-01 -9.886298179e-01 3.82 -1.008856098e+00 -1.008856098e+00 3.84 -1.026757234e+00 -1.026757234e+00 3.86 -1.042467972e+00 -1.042467972e+00 3.88 -1.056136972e+00 -1.056136972e+00 3.90 -1.067903648e+00 -1.067903648e+00 3.92 -1.077895330e+00 -1.077895330e+00 3.94 -1.086228615e+00 -1.086228615e+00 3.96 -1.093010529e+00 -1.093010529e+00 3.98 -1.098339510e+00 -1.098339510e+00 4.00 -1.102306252e+00 -1.102306252e+00 4.02 -1.105092529e+00 -1.105092529e+00 4.04 -1.107134241e+00 -1.107134241e+00 4.06 -1.107990279e+00 -1.107990279e+00 4.08 -1.107670063e+00 -1.107670063e+00 4.10 -1.106250045e+00 -1.106250045e+00 4.12 -1.103808955e+00 -1.103808955e+00 4.14 -1.100414279e+00 -1.100414279e+00 4.16 -1.096126466e+00 -1.096126466e+00 4.18 -1.091000422e+00 -1.091000422e+00 4.20 -1.085086134e+00 -1.085086134e+00 4.22 -1.078429262e+00 -1.078429262e+00 4.24 -1.071071691e+00 -1.071071691e+00 4.26 -1.063052034e+00 -1.063052034e+00 4.28 -1.054406102e+00 -1.054406102e+00 4.30 -1.045167331e+00 -1.045167331e+00 4.32 -1.035367168e+00 -1.035367168e+00 4.34 -1.025035424e+00 -1.025035424e+00 4.36 -1.014200589e+00 -1.014200589e+00 4.38 -1.002890115e+00 -1.002890115e+00 4.40 -9.911306721e-01 -9.911306721e-01 4.42 -9.789483680e-01 -9.789483680e-01 4.44 -9.663689501e-01 -9.663689501e-01 4.46 -9.534179754e-01 -9.534179754e-01 4.48 -9.401209593e-01 -9.401209593e-01 4.50 -9.265902042e-01 -9.265902042e-01 4.52 -9.127766396e-01 -9.127766396e-01 4.54 -8.986726947e-01 -8.986726947e-01 4.56 -8.843085213e-01 -8.843085213e-01 4.58 -8.697140636e-01 -8.697140636e-01 4.60 -8.549191318e-01 -8.549191318e-01 4.62 -8.399533037e-01 -8.399533037e-01 4.64 -8.248450191e-01 -8.248450191e-01 4.66 -8.096249195e-01 -8.096249195e-01 4.68 -7.943189357e-01 -7.943189357e-01 4.70 -7.789609480e-01 -7.789609480e-01 4.72 -7.635799234e-01 -7.635799234e-01 4.74 -7.482044713e-01 -7.482044713e-01 4.76 -7.328627139e-01 -7.328627139e-01 4.78 -7.175821400e-01 -7.175821400e-01 4.80 -7.023894444e-01 -7.023894444e-01 4.82 -6.873103587e-01 -6.873103587e-01 4.84 -6.723694750e-01 -6.723694750e-01 4.86 -6.575900695e-01 -6.575900695e-01 4.88 -6.430079544e-01 -6.430079544e-01 4.90 -6.286396552e-01 -6.286396552e-01 4.92 -6.144893102e-01 -6.144893102e-01 4.94 -6.005736912e-01 -6.005736912e-01 4.96 -5.869073637e-01 -5.869073637e-01 4.98 -5.735024740e-01 -5.735024740e-01 5.00 -5.603696255e-01 -5.603696255e-01 5.02 -5.475166350e-01 -5.475166350e-01 5.04 -5.349489659e-01 -5.349489659e-01 5.06 -5.226697364e-01 -5.226697364e-01 5.08 -5.106797564e-01 -5.106797564e-01 5.10 -4.989775933e-01 -4.989775933e-01 5.12 -4.875596649e-01 -4.875596649e-01 5.14 -4.764203576e-01 -4.764203576e-01 5.16 -4.655521690e-01 -4.655521690e-01 5.18 -4.549465700e-01 -4.549465700e-01 5.20 -4.445922599e-01 -4.445922599e-01 5.22 -4.344767346e-01 -4.344767346e-01 5.24 -4.245867755e-01 -4.245867755e-01 5.26 -4.149082428e-01 -4.149082428e-01 5.28 -4.054262997e-01 -4.054262997e-01 5.30 -3.961256378e-01 -3.961256378e-01 5.32 -3.869907008e-01 -3.869907008e-01 5.34 -3.780059037e-01 -3.780059037e-01 5.36 -3.691558432e-01 -3.691558432e-01 5.38 -3.604254990e-01 -3.604254990e-01 5.40 -3.518004205e-01 -3.518004205e-01 5.42 -3.432668997e-01 -3.432668997e-01 5.44 -3.348121270e-01 -3.348121270e-01 5.46 -3.264243278e-01 -3.264243278e-01 5.48 -3.180928815e-01 -3.180928815e-01 5.50 -3.098084193e-01 -3.098084193e-01 5.52 -3.015629021e-01 -3.015629021e-01 5.54 -2.933496778e-01 -2.933496778e-01 5.56 -2.851635193e-01 -2.851635193e-01 5.58 -2.770006413e-01 -2.770006413e-01 5.60 -2.688586997e-01 -2.688586997e-01 5.62 -2.607367720e-01 -2.607367720e-01 5.64 -2.526353212e-01 -2.526353212e-01 5.66 -2.445561441e-01 -2.445561441e-01 5.68 -2.365023053e-01 -2.365023053e-01 5.70 -2.285884334e-01 -2.285884334e-01 5.72 -2.207733976e-01 -2.207733976e-01 5.74 -2.129795891e-01 -2.129795891e-01 5.76 -2.052266644e-01 -2.052266644e-01 5.78 -1.975052891e-01 -1.975052891e-01 5.80 -1.898275258e-01 -1.898275258e-01 5.82 -1.822055865e-01 -1.822055865e-01 5.84 -1.746517427e-01 -1.746517427e-01 5.86 -1.671782333e-01 -1.671782333e-01 5.88 -1.597971735e-01 -1.597971735e-01 5.90 -1.525204643e-01 -1.525204643e-01 5.92 -1.453597046e-01 -1.453597046e-01 5.94 -1.383261058e-01 -1.383261058e-01 5.96 -1.314304117e-01 -1.314304117e-01 5.98 -1.247001759e-01 -1.247001759e-01 6.00 -1.181741290e-01 -1.181741290e-01