# 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 = FNaRb2 # 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 1.250370688e+05 1.250370688e+05 1.28 1.005847552e+05 1.005847552e+05 1.30 8.118341636e+04 8.118341636e+04 1.32 6.573615880e+04 6.573615880e+04 1.34 5.339470668e+04 5.339470668e+04 1.36 4.350270672e+04 4.350270672e+04 1.38 3.554877984e+04 3.554877984e+04 1.40 2.913295860e+04 2.913295860e+04 1.42 2.394245578e+04 2.394245578e+04 1.44 1.973106002e+04 1.973106002e+04 1.46 1.630403141e+04 1.630403141e+04 1.48 1.350771339e+04 1.350771339e+04 1.50 1.121997371e+04 1.121997371e+04 1.52 9.343299624e+03 9.343299624e+03 1.54 7.799750319e+03 7.799750319e+03 1.56 6.527206582e+03 6.527206582e+03 1.58 5.475534465e+03 5.475534465e+03 1.60 4.604315747e+03 4.604315747e+03 1.62 3.880858779e+03 3.880858779e+03 1.64 3.278706693e+03 3.278706693e+03 1.66 2.776420125e+03 2.776420125e+03 1.68 2.356529093e+03 2.356529093e+03 1.70 2.004754931e+03 2.004754931e+03 1.72 1.709384219e+03 1.709384219e+03 1.74 1.460780134e+03 1.460780134e+03 1.76 1.251198540e+03 1.251198540e+03 1.78 1.074148172e+03 1.074148172e+03 1.80 9.242727395e+02 9.242727395e+02 1.82 7.971198726e+02 7.971198726e+02 1.84 6.890391786e+02 6.890391786e+02 1.86 5.969534365e+02 5.969534365e+02 1.88 5.183651812e+02 5.183651812e+02 1.90 4.511738390e+02 4.511738390e+02 1.92 3.936102358e+02 3.936102358e+02 1.94 3.441955063e+02 3.441955063e+02 1.96 3.016905788e+02 3.016905788e+02 1.98 2.650555078e+02 2.650555078e+02 2.00 2.334155927e+02 2.334155927e+02 2.02 2.060257595e+02 2.060257595e+02 2.04 1.822677402e+02 1.822677402e+02 2.06 1.616254571e+02 1.616254571e+02 2.08 1.436505363e+02 1.436505363e+02 2.10 1.279675700e+02 1.279675700e+02 2.12 1.142563572e+02 1.142563572e+02 2.14 1.022430343e+02 1.022430343e+02 2.16 9.169556670e+01 9.169556670e+01 2.18 8.241515818e+01 8.241515818e+01 2.20 7.423174902e+01 7.423174902e+01 2.22 6.699980096e+01 6.699980096e+01 2.24 6.058487290e+01 6.058487290e+01 2.26 5.488621535e+01 5.488621535e+01 2.28 4.981792149e+01 4.981792149e+01 2.30 4.529995794e+01 4.529995794e+01 2.32 4.126311360e+01 4.126311360e+01 2.34 3.764857548e+01 3.764857548e+01 2.36 3.440483202e+01 3.440483202e+01 2.38 3.148728695e+01 3.148728695e+01 2.40 2.885734948e+01 2.885734948e+01 2.42 2.648101174e+01 2.648101174e+01 2.44 2.432835056e+01 2.432835056e+01 2.46 2.237588918e+01 2.237588918e+01 2.48 2.060082025e+01 2.060082025e+01 2.50 1.898468982e+01 1.898468982e+01 2.52 1.751066929e+01 1.751066929e+01 2.54 1.616314466e+01 1.616314466e+01 2.56 1.492663467e+01 1.492663467e+01 2.58 1.379382149e+01 1.379382149e+01 2.60 1.275441494e+01 1.275441494e+01 2.62 1.179940955e+01 1.179940955e+01 2.64 1.092113764e+01 1.092113764e+01 2.66 1.011247870e+01 1.011247870e+01 2.68 9.367094156e+00 9.367094156e+00 2.70 8.679330031e+00 8.679330031e+00 2.72 8.044127574e+00 8.044127574e+00 2.74 7.456925684e+00 7.456925684e+00 2.76 6.913323448e+00 6.913323448e+00 2.78 6.410073707e+00 6.410073707e+00 2.80 5.943806954e+00 5.943806954e+00 2.82 5.511444128e+00 5.511444128e+00 2.84 5.110190697e+00 5.110190697e+00 2.86 4.737294920e+00 4.737294920e+00 2.88 4.390841140e+00 4.390841140e+00 2.90 4.068697320e+00 4.068697320e+00 2.92 3.768918997e+00 3.768918997e+00 2.94 3.489721233e+00 3.489721233e+00 2.96 3.229470419e+00 3.229470419e+00 2.98 2.986670889e+00 2.986670889e+00 3.00 2.759953241e+00 2.759953241e+00 3.02 2.548064081e+00 2.548064081e+00 3.04 2.349059249e+00 2.349059249e+00 3.06 2.162680052e+00 2.162680052e+00 3.08 1.988131055e+00 1.988131055e+00 3.10 1.824522065e+00 1.824522065e+00 3.12 1.671022279e+00 1.671022279e+00 3.14 1.526807254e+00 1.526807254e+00 3.16 1.391331309e+00 1.391331309e+00 3.18 1.263944945e+00 1.263944945e+00 3.20 1.144099061e+00 1.144099061e+00 3.22 1.031355266e+00 1.031355266e+00 3.24 9.252359064e-01 9.252359064e-01 3.26 8.252674592e-01 8.252674592e-01 3.28 7.311869365e-01 7.311869365e-01 3.30 6.426534056e-01 6.426534056e-01 3.32 5.593567501e-01 5.593567501e-01 3.34 4.810136538e-01 4.810136538e-01 3.36 4.073639110e-01 4.073639110e-01 3.38 3.381670772e-01 3.381670772e-01 3.40 2.731994690e-01 2.731994690e-01 3.42 2.122515167e-01 2.122515167e-01 3.44 1.551254675e-01 1.551254675e-01 3.46 1.016334296e-01 1.016334296e-01 3.48 5.159574595e-02 5.159574595e-02 3.50 4.839821770e-03 4.839821770e-03 3.52 -3.880080179e-02 -3.880080179e-02 3.54 -7.948852659e-02 -7.948852659e-02 3.56 -1.173804824e-01 -1.173804824e-01 3.58 -1.526295499e-01 -1.526295499e-01 3.60 -1.853886549e-01 -1.853886549e-01 3.62 -2.160804885e-01 -2.160804885e-01 3.64 -2.444977574e-01 -2.444977574e-01 3.66 -2.707885815e-01 -2.707885815e-01 3.68 -2.951875514e-01 -2.951875514e-01 3.70 -3.178525988e-01 -3.178525988e-01 3.72 -3.387502666e-01 -3.387502666e-01 3.74 -3.580105228e-01 -3.580105228e-01 3.76 -3.757557785e-01 -3.757557785e-01 3.78 -3.921004626e-01 -3.921004626e-01 3.80 -4.071511324e-01 -4.071511324e-01 3.82 -4.210066084e-01 -4.210066084e-01 3.84 -4.337581378e-01 -4.337581378e-01 3.86 -4.454895904e-01 -4.454895904e-01 3.88 -4.562776880e-01 -4.562776880e-01 3.90 -4.662181386e-01 -4.662181386e-01 3.92 -4.754868058e-01 -4.754868058e-01 3.94 -4.839783940e-01 -4.839783940e-01 3.96 -4.917580743e-01 -4.917580743e-01 3.98 -4.989506886e-01 -4.989506886e-01 4.00 -5.055758357e-01 -5.055758357e-01 4.02 -5.115778699e-01 -5.115778699e-01 4.04 -5.169935690e-01 -5.169935690e-01 4.06 -5.218542924e-01 -5.218542924e-01 4.08 -5.261893554e-01 -5.261893554e-01 4.10 -5.300235704e-01 -5.300235704e-01 4.12 -5.333783828e-01 -5.333783828e-01 4.14 -5.362724756e-01 -5.362724756e-01 4.16 -5.387221553e-01 -5.387221553e-01 4.18 -5.407417095e-01 -5.407417095e-01 4.20 -5.423437342e-01 -5.423437342e-01 4.22 -5.435394292e-01 -5.435394292e-01 4.24 -5.443388623e-01 -5.443388623e-01 4.26 -5.447512019e-01 -5.447512019e-01 4.28 -5.447849185e-01 -5.447849185e-01 4.30 -5.444479575e-01 -5.444479575e-01 4.32 -5.437474859e-01 -5.437474859e-01 4.34 -5.426911952e-01 -5.426911952e-01 4.36 -5.412863076e-01 -5.412863076e-01 4.38 -5.395398748e-01 -5.395398748e-01 4.40 -5.374589239e-01 -5.374589239e-01 4.42 -5.350505008e-01 -5.350505008e-01 4.44 -5.323217026e-01 -5.323217026e-01 4.46 -5.292796988e-01 -5.292796988e-01 4.48 -5.259317445e-01 -5.259317445e-01 4.50 -5.223796405e-01 -5.223796405e-01 4.52 -5.185509191e-01 -5.185509191e-01 4.54 -5.144161943e-01 -5.144161943e-01 4.56 -5.099867035e-01 -5.099867035e-01 4.58 -5.052733112e-01 -5.052733112e-01 4.60 -5.002865161e-01 -5.002865161e-01 4.62 -4.950365174e-01 -4.950365174e-01 4.64 -4.895332634e-01 -4.895332634e-01 4.66 -4.837864971e-01 -4.837864971e-01 4.68 -4.778058005e-01 -4.778058005e-01 4.70 -4.716006356e-01 -4.716006356e-01 4.72 -4.651803838e-01 -4.651803838e-01 4.74 -4.585543821e-01 -4.585543821e-01 4.76 -4.517319574e-01 -4.517319574e-01 4.78 -4.447224571e-01 -4.447224571e-01 4.80 -4.375352770e-01 -4.375352770e-01 4.82 -4.301798864e-01 -4.301798864e-01 4.84 -4.226658493e-01 -4.226658493e-01 4.86 -4.150028423e-01 -4.150028423e-01 4.88 -4.072150750e-01 -4.072150750e-01 4.90 -3.993489338e-01 -3.993489338e-01 4.92 -3.913533920e-01 -3.913533920e-01 4.94 -3.832399620e-01 -3.832399620e-01 4.96 -3.750199420e-01 -3.750199420e-01 4.98 -3.667051251e-01 -3.667051251e-01 5.00 -3.583070613e-01 -3.583070613e-01 5.02 -3.498373107e-01 -3.498373107e-01 5.04 -3.413074601e-01 -3.413074601e-01 5.06 -3.327291006e-01 -3.327291006e-01 5.08 -3.241138143e-01 -3.241138143e-01 5.10 -3.154731580e-01 -3.154731580e-01 5.12 -3.068186431e-01 -3.068186431e-01 5.14 -2.981617130e-01 -2.981617130e-01 5.16 -2.895137180e-01 -2.895137180e-01 5.18 -2.808858878e-01 -2.808858878e-01 5.20 -2.722893028e-01 -2.722893028e-01 5.22 -2.637348638e-01 -2.637348638e-01 5.24 -2.552332608e-01 -2.552332608e-01 5.26 -2.467949418e-01 -2.467949418e-01 5.28 -2.384300814e-01 -2.384300814e-01 5.30 -2.301485494e-01 -2.301485494e-01 5.32 -2.219598808e-01 -2.219598808e-01 5.34 -2.138732468e-01 -2.138732468e-01 5.36 -2.058974268e-01 -2.058974268e-01 5.38 -1.980407831e-01 -1.980407831e-01 5.40 -1.903112368e-01 -1.903112368e-01 5.42 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