# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Guo-J-Ward-L-Babuji-Y-et-al--Li-K-Cl # implementation = 2022--Guo-J--Li-K-Cl--LAMMPS--ipr1 # composition = 171923 # 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 2022-12-14 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 6.692422676e+01 1.28 nan 6.270089493e+01 1.30 nan 5.870154772e+01 1.32 nan nan 1.34 nan nan 1.36 nan nan 1.38 nan 4.486631516e+01 1.40 nan nan 1.42 nan 3.904527918e+01 1.44 nan 3.643430596e+01 1.46 nan 3.405520942e+01 1.48 nan 3.188378402e+01 1.50 2.986264680e+01 2.986264680e+01 1.52 2.794836161e+01 2.794836161e+01 1.54 2.611414336e+01 2.611414336e+01 1.56 2.434235165e+01 2.434235165e+01 1.58 2.263075818e+01 2.263075818e+01 1.60 2.095945412e+01 2.095945412e+01 1.62 1.931441404e+01 1.931441404e+01 1.64 1.769866666e+01 1.769866666e+01 1.66 1.613483772e+01 1.613483772e+01 1.68 1.463002488e+01 1.463002488e+01 1.70 1.317840879e+01 1.317840879e+01 1.72 1.177883507e+01 1.177883507e+01 1.74 1.043959486e+01 1.043959486e+01 1.76 9.154934509e+00 9.154934509e+00 1.78 7.924162819e+00 7.924162819e+00 1.80 6.740984226e+00 6.740984226e+00 1.82 5.603861438e+00 5.603861438e+00 1.84 4.520663073e+00 4.520663073e+00 1.86 3.493726258e+00 3.493726258e+00 1.88 2.524552998e+00 2.524552998e+00 1.90 1.616176977e+00 1.616176977e+00 1.92 7.775476927e-01 7.775476927e-01 1.94 2.419015944e-02 2.419015943e-02 1.96 -6.451522344e-01 -6.451522344e-01 1.98 -1.232692514e+00 -1.232692514e+00 2.00 -1.760813284e+00 -1.760813284e+00 2.02 -2.250309617e+00 -2.250309617e+00 2.04 -2.716288956e+00 -2.716288956e+00 2.06 -3.167843082e+00 -3.167843082e+00 2.08 -3.608195104e+00 -3.608195104e+00 2.10 -4.035673505e+00 -4.035673505e+00 2.12 -4.438985270e+00 -4.438985270e+00 2.14 -4.819390403e+00 -4.819390403e+00 2.16 -5.181158846e+00 -5.181158846e+00 2.18 -5.531720608e+00 -5.531720608e+00 2.20 -5.877428944e+00 -5.877428944e+00 2.22 -6.221002507e+00 -6.221002507e+00 2.24 -6.560653360e+00 -6.560653360e+00 2.26 -6.890790546e+00 -6.890790546e+00 2.28 -7.203983220e+00 -7.203983220e+00 2.30 -7.492921455e+00 -7.492921455e+00 2.32 -7.745791575e+00 -7.745791575e+00 2.34 -7.957664925e+00 -7.957664925e+00 2.36 -8.130127286e+00 -8.130127286e+00 2.38 -8.271675321e+00 -8.271675321e+00 2.40 -8.385354607e+00 -8.385354607e+00 2.42 -8.472963863e+00 -8.472963863e+00 2.44 -8.536559330e+00 -8.536559330e+00 2.46 -8.578409058e+00 -8.578409058e+00 2.48 -8.599308911e+00 -8.599308911e+00 2.50 -8.600430000e+00 -8.600430000e+00 2.52 -8.584769179e+00 -8.584769179e+00 2.54 -8.555371331e+00 -8.555371331e+00 2.56 -8.515359648e+00 -8.515359648e+00 2.58 -8.466482878e+00 -8.466482878e+00 2.60 -8.406613213e+00 -8.406613213e+00 2.62 -8.341577947e+00 -8.341577947e+00 2.64 -8.277563135e+00 -8.277563135e+00 2.66 -8.219176397e+00 -8.219176397e+00 2.68 -8.168794487e+00 -8.168794487e+00 2.70 -8.126416445e+00 -8.126416445e+00 2.72 -8.090153272e+00 -8.090153272e+00 2.74 -8.057191654e+00 -8.057191654e+00 2.76 -8.024838685e+00 -8.024838685e+00 2.78 -7.991256810e+00 -7.991256810e+00 2.80 -7.955713702e+00 -7.955713702e+00 2.82 -7.918422603e+00 -7.918422603e+00 2.84 -7.880179867e+00 -7.880179867e+00 2.86 -7.841995889e+00 -7.841995889e+00 2.88 -7.804832882e+00 -7.804832882e+00 2.90 -7.769479957e+00 -7.769479957e+00 2.92 -7.736544457e+00 -7.736544457e+00 2.94 -7.706520353e+00 -7.706520353e+00 2.96 -7.679901657e+00 -7.679901657e+00 2.98 -7.655930430e+00 -7.655930430e+00 3.00 -7.633582307e+00 -7.633582307e+00 3.02 -7.612751708e+00 -7.612751708e+00 3.04 -7.591395802e+00 -7.591395802e+00 3.06 -7.569238612e+00 -7.569238612e+00 3.08 -7.547367824e+00 -7.547367824e+00 3.10 -7.527588792e+00 -7.527588792e+00 3.12 -7.508434678e+00 -7.508434678e+00 3.14 -7.489889700e+00 -7.489889700e+00 3.16 -7.472394845e+00 -7.472394845e+00 3.18 -7.456076894e+00 -7.456076894e+00 3.20 -7.440780420e+00 -7.440780420e+00 3.22 -7.426155836e+00 -7.426155836e+00 3.24 -7.411776753e+00 -7.411776753e+00 3.26 -7.397253878e+00 -7.397253878e+00 3.28 -7.382318909e+00 -7.382318909e+00 3.30 -7.366865191e+00 -7.366865191e+00 3.32 -7.350945215e+00 -7.350945215e+00 3.34 -7.334734334e+00 -7.334734334e+00 3.36 -7.318474685e+00 -7.318474685e+00 3.38 -7.302414644e+00 -7.302414644e+00 3.40 -7.286758455e+00 -7.286758455e+00 3.42 -7.271638069e+00 -7.271638069e+00 3.44 -7.257113831e+00 -7.257113831e+00 3.46 -7.243202478e+00 -7.243202478e+00 3.48 -7.229921625e+00 -7.229921625e+00 3.50 -7.217333140e+00 -7.217333140e+00 3.52 -7.205566971e+00 -7.205566971e+00 3.54 -7.194813285e+00 -7.194813285e+00 3.56 -7.185281865e+00 -7.185281865e+00 3.58 -7.177139179e+00 -7.177139179e+00 3.60 -7.170441058e+00 -7.170441058e+00 3.62 -7.165080775e+00 -7.165080775e+00 3.64 -7.160261139e+00 -7.160261139e+00 3.66 -7.154493100e+00 -7.154493100e+00 3.68 -7.147730408e+00 -7.147730408e+00 3.70 -7.140026255e+00 -7.140026255e+00 3.72 -7.131463298e+00 -7.131463298e+00 3.74 -7.122151129e+00 -7.122151129e+00 3.76 -7.112222281e+00 -7.112222281e+00 3.78 -7.101826996e+00 -7.101826996e+00 3.80 -7.091127186e+00 -7.091127186e+00 3.82 -7.080290019e+00 -7.080290019e+00 3.84 -7.069481590e+00 -7.069481590e+00 3.86 -7.058861075e+00 -7.058861075e+00 3.88 -7.048575686e+00 -7.048575686e+00 3.90 -7.038756620e+00 -7.038756620e+00 3.92 -7.029516065e+00 -7.029516065e+00 3.94 -7.020945262e+00 -7.020945262e+00 3.96 -7.013113508e+00 -7.013113508e+00 3.98 -7.006067976e+00 -7.006067976e+00 4.00 -6.999834200e+00 -6.999834200e+00 4.02 -6.994417095e+00 -6.994417095e+00 4.04 -6.989802399e+00 -6.989802399e+00 4.06 -6.985958474e+00 -6.985958474e+00 4.08 -6.982838413e+00 -6.982838413e+00 4.10 -6.980382433e+00 -6.980382433e+00 4.12 -6.978520538e+00 -6.978520538e+00 4.14 -6.977175408e+00 -6.977175408e+00 4.16 -6.976265469e+00 -6.976265469e+00 4.18 -6.975708030e+00 -6.975708030e+00 4.20 -6.975422350e+00 -6.975422350e+00 4.22 -6.975332454e+00 -6.975332454e+00 4.24 -6.975369488e+00 -6.975369488e+00 4.26 -6.975473430e+00 -6.975473430e+00 4.28 -6.975512712e+00 -6.975512712e+00 4.30 -6.975294593e+00 -6.975294593e+00 4.32 -6.974705816e+00 -6.974705816e+00 4.34 -6.973649799e+00 -6.973649799e+00 4.36 -6.972043713e+00 -6.972043713e+00 4.38 -6.969815027e+00 -6.969815027e+00 4.40 -6.966898011e+00 -6.966898011e+00 4.42 -6.963230926e+00 -6.963230926e+00 4.44 -6.958754402e+00 -6.958754402e+00 4.46 -6.953411215e+00 -6.953411215e+00 4.48 -6.947147226e+00 -6.947147226e+00 4.50 -6.939912960e+00 -6.939912960e+00 4.52 -6.931665197e+00 -6.931665197e+00 4.54 -6.922367970e+00 -6.922367970e+00 4.56 -6.911992666e+00 -6.911992666e+00 4.58 -6.900517170e+00 -6.900517170e+00 4.60 -6.887924258e+00 -6.887924258e+00 4.62 -6.874199632e+00 -6.874199632e+00 4.64 -6.859330032e+00 -6.859330032e+00 4.66 -6.843301850e+00 -6.843301850e+00 4.68 -6.826100551e+00 -6.826100551e+00 4.70 -6.807711108e+00 -6.807711108e+00 4.72 -6.788119505e+00 -6.788119505e+00 4.74 -6.767315239e+00 -6.767315239e+00 4.76 -6.745294626e+00 -6.745294626e+00 4.78 -6.722064601e+00 -6.722064601e+00 4.80 -6.697646606e+00 -6.697646606e+00 4.82 -6.672080089e+00 -6.672080089e+00 4.84 -6.645425100e+00 -6.645425100e+00 4.86 -6.617763525e+00 -6.617763525e+00 4.88 -6.589198566e+00 -6.589198566e+00 4.90 -6.559852283e+00 -6.559852283e+00 4.92 -6.529861211e+00 -6.529861211e+00 4.94 -6.499069687e+00 -6.499069687e+00 4.96 -6.467247033e+00 -6.467247033e+00 4.98 -6.434406524e+00 -6.434406524e+00 5.00 -6.400539479e+00 -6.400539479e+00 5.02 -6.365620935e+00 -6.365620935e+00 5.04 -6.329618952e+00 -6.329618952e+00 5.06 -6.292507368e+00 -6.292507368e+00 5.08 -6.254281361e+00 -6.254281361e+00 5.10 -6.214974735e+00 -6.214974735e+00 5.12 -6.174677572e+00 -6.174677572e+00 5.14 -6.133116395e+00 -6.133116395e+00 5.16 -6.089122347e+00 -6.089122347e+00 5.18 -6.043024807e+00 -6.043024807e+00 5.20 -5.995346227e+00 -5.995346227e+00 5.22 -5.946651984e+00 -5.946651984e+00 5.24 -5.897520419e+00 -5.897520419e+00 5.26 -5.848514614e+00 -5.848514614e+00 5.28 -5.800158474e+00 -5.800158474e+00 5.30 -5.752918765e+00 -5.752918765e+00 5.32 -5.707193788e+00 -5.707193788e+00 5.34 -5.663308473e+00 -5.663308473e+00 5.36 -5.621515002e+00 -5.621515002e+00 5.38 -5.581997694e+00 -5.581997694e+00 5.40 -5.544880703e+00 -5.544880703e+00 5.42 -5.510237181e+00 -5.510237181e+00 5.44 -5.478098717e+00 -5.478098717e+00 5.46 -5.448464163e+00 -5.448464163e+00 5.48 -5.421307221e+00 -5.421307221e+00 5.50 -5.396582441e+00 -5.396582441e+00 5.52 -5.374229542e+00 -5.374229542e+00 5.54 -5.354176126e+00 -5.354176126e+00 5.56 -5.336339046e+00 -5.336339046e+00 5.58 -5.320624758e+00 -5.320624758e+00 5.60 -5.306929074e+00 -5.306929074e+00 5.62 -5.295136712e+00 -5.295136712e+00 5.64 -5.285121027e+00 -5.285121027e+00 5.66 -5.276744218e+00 -5.276744218e+00 5.68 -5.269858220e+00 -5.269858220e+00 5.70 -5.264306369e+00 -5.264306369e+00 5.72 -5.259925859e+00 -5.259925859e+00 5.74 -5.256550912e+00 -5.256550912e+00 5.76 -5.254016544e+00 -5.254016544e+00 5.78 -5.252162826e+00 -5.252162826e+00 5.80 -5.250839524e+00 -5.250839524e+00 5.82 -5.249911064e+00 -5.249911064e+00 5.84 -5.249261803e+00 -5.249261803e+00 5.86 -5.248801617e+00 -5.248801617e+00 5.88 -5.248471843e+00 -5.248471843e+00 5.90 -5.248251606e+00 -5.248251606e+00 5.92 -5.248164568e+00 -5.248164568e+00 5.94 -5.248164568e+00 -5.248164568e+00 5.96 -5.248164568e+00 -5.248164568e+00 5.98 -5.248164568e+00 -5.248164568e+00 6.00 -5.248164568e+00 -5.248164568e+00