# 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 = ClLi2Rb # 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 2024-11-27 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 2.105207340e+05 1.30 1.660856088e+05 1.660856088e+05 1.32 1.315045559e+05 1.315045559e+05 1.34 1.044895431e+05 1.044895431e+05 1.36 8.330728165e+04 8.330728165e+04 1.38 6.663878958e+04 6.663878958e+04 1.40 5.347658317e+04 5.347658317e+04 1.42 4.304797294e+04 4.304797294e+04 1.44 3.475820582e+04 3.475820582e+04 1.46 2.814755661e+04 2.814755661e+04 1.48 2.285953950e+04 2.285953950e+04 1.50 1.861682176e+04 1.861682176e+04 1.52 1.520275215e+04 1.520275215e+04 1.54 1.244765147e+04 1.244765147e+04 1.56 1.021818595e+04 1.021818595e+04 1.58 8.409135422e+03 8.409135422e+03 1.60 6.937354589e+03 6.937354589e+03 1.62 5.736896277e+03 5.736896277e+03 1.64 4.755288072e+03 4.755288072e+03 1.66 3.950671017e+03 3.950671017e+03 1.68 3.289559449e+03 3.289559449e+03 1.70 2.745101879e+03 2.745101879e+03 1.72 2.295679315e+03 2.295679315e+03 1.74 1.923877671e+03 1.923877671e+03 1.76 1.615618293e+03 1.615618293e+03 1.78 1.359501654e+03 1.359501654e+03 1.80 1.146259937e+03 1.146259937e+03 1.82 9.683502229e+02 9.683502229e+02 1.84 8.196203080e+02 8.196203080e+02 1.86 6.950385807e+02 6.950385807e+02 1.88 5.904917171e+02 5.904917171e+02 1.90 5.025855790e+02 5.025855790e+02 1.92 4.285302159e+02 4.285302159e+02 1.94 3.660272911e+02 3.660272911e+02 1.96 3.131784246e+02 3.131784246e+02 1.98 2.684116985e+02 2.684116985e+02 2.00 2.304236230e+02 2.304236230e+02 2.02 1.981303000e+02 1.981303000e+02 2.04 1.706293799e+02 1.706293799e+02 2.06 1.471690452e+02 1.471690452e+02 2.08 1.271234207e+02 1.271234207e+02 2.10 1.099653852e+02 1.099653852e+02 2.12 9.525354621e+01 9.525354621e+01 2.14 8.261824405e+01 8.261824405e+01 2.16 7.174774964e+01 7.174774964e+01 2.18 6.237946878e+01 6.237946878e+01 2.20 5.429229486e+01 5.429229486e+01 2.22 4.729924625e+01 4.729924625e+01 2.24 4.124220177e+01 4.124220177e+01 2.26 3.598737060e+01 3.598737060e+01 2.28 3.142158772e+01 3.142158772e+01 2.30 2.744821678e+01 2.744821678e+01 2.32 2.398465178e+01 2.398465178e+01 2.34 2.096042362e+01 2.096042362e+01 2.36 1.831548129e+01 1.831548129e+01 2.38 1.599934972e+01 1.599934972e+01 2.40 1.396862063e+01 1.396862063e+01 2.42 1.218603721e+01 1.218603721e+01 2.44 1.061921704e+01 1.061921704e+01 2.46 9.240320831e+00 9.240320831e+00 2.48 8.025383124e+00 8.025383124e+00 2.50 6.953733081e+00 6.953733081e+00 2.52 6.007510555e+00 6.007510555e+00 2.54 5.171277914e+00 5.171277914e+00 2.56 4.431621478e+00 4.431621478e+00 2.58 3.777098188e+00 3.777098188e+00 2.60 3.197187631e+00 3.197187631e+00 2.62 2.683134880e+00 2.683134880e+00 2.64 2.227324156e+00 2.227324156e+00 2.66 1.823106875e+00 1.823106875e+00 2.68 1.464402521e+00 1.464402521e+00 2.70 1.146413126e+00 1.146413126e+00 2.72 8.644828215e-01 8.644828215e-01 2.74 6.145688024e-01 6.145688024e-01 2.76 3.930071468e-01 3.930071468e-01 2.78 1.963860834e-01 1.963860834e-01 2.80 2.233381818e-02 2.233381818e-02 2.82 -1.316355752e-01 -1.316355752e-01 2.84 -2.677275663e-01 -2.677275663e-01 2.86 -3.881029091e-01 -3.881029091e-01 2.88 -4.942834035e-01 -4.942834035e-01 2.90 -5.877650434e-01 -5.877650434e-01 2.92 -6.699302241e-01 -6.699302241e-01 2.94 -7.420021790e-01 -7.420021790e-01 2.96 -8.050619388e-01 -8.050619388e-01 2.98 -8.600634723e-01 -8.600634723e-01 3.00 -9.078473044e-01 -9.078473044e-01 3.02 -9.491496867e-01 -9.491496867e-01 3.04 -9.847496502e-01 -9.847496502e-01 3.06 -1.015094430e+00 -1.015094430e+00 3.08 -1.040648759e+00 -1.040648759e+00 3.10 -1.061857729e+00 -1.061857729e+00 3.12 -1.079111361e+00 -1.079111361e+00 3.14 -1.092819868e+00 -1.092819868e+00 3.16 -1.103207510e+00 -1.103207510e+00 3.18 -1.110565418e+00 -1.110565418e+00 3.20 -1.115137710e+00 -1.115137710e+00 3.22 -1.117116624e+00 -1.117116624e+00 3.24 -1.116707688e+00 -1.116707688e+00 3.26 -1.114101328e+00 -1.114101328e+00 3.28 -1.109468904e+00 -1.109468904e+00 3.30 -1.102986232e+00 -1.102986232e+00 3.32 -1.094818758e+00 -1.094818758e+00 3.34 -1.085123473e+00 -1.085123473e+00 3.36 -1.074058369e+00 -1.074058369e+00 3.38 -1.061767317e+00 -1.061767317e+00 3.40 -1.048394502e+00 -1.048394502e+00 3.42 -1.034081836e+00 -1.034081836e+00 3.44 -1.018971193e+00 -1.018971193e+00 3.46 -1.003252693e+00 -1.003252693e+00 3.48 -9.869840389e-01 -9.869840389e-01 3.50 -9.704424991e-01 -9.704424991e-01 3.52 -9.537653988e-01 -9.537653988e-01 3.54 -9.368032342e-01 -9.368032342e-01 3.56 -9.196684314e-01 -9.196684314e-01 3.58 -9.024623149e-01 -9.024623149e-01 3.60 -8.852746782e-01 -8.852746782e-01 3.62 -8.681840866e-01 -8.681840866e-01 3.64 -8.513624446e-01 -8.513624446e-01 3.66 -8.347592329e-01 -8.347592329e-01 3.68 -8.184094400e-01 -8.184094400e-01 3.70 -8.023525812e-01 -8.023525812e-01 3.72 -7.867806942e-01 -7.867806942e-01 3.74 -7.715633791e-01 -7.715633791e-01 3.76 -7.566748562e-01 -7.566748562e-01 3.78 -7.421305655e-01 -7.421305655e-01 3.80 -7.279400373e-01 -7.279400373e-01 3.82 -7.141078056e-01 -7.141078056e-01 3.84 -7.006342617e-01 -7.006342617e-01 3.86 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