# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Co-W # implementation = 2025--Sharifi-H--Cr-Ni-Co-W--LAMMPS--ipr1 # composition = CrNiW2 # 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 2025-07-01 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 1.261034381e+03 1.261034381e+03 1.00 1.167398905e+03 1.167398905e+03 1.02 1.081453204e+03 1.081453204e+03 1.04 1.000490905e+03 1.000490905e+03 1.06 9.248150148e+02 9.248150148e+02 1.08 8.570405669e+02 8.570405669e+02 1.10 7.956987059e+02 7.956987059e+02 1.12 7.395211785e+02 7.395211785e+02 1.14 6.867532811e+02 6.867532811e+02 1.16 6.370456597e+02 6.370456597e+02 1.18 5.903088624e+02 5.903088624e+02 1.20 5.464401163e+02 5.464401163e+02 1.22 5.053283056e+02 5.053283056e+02 1.24 4.668574051e+02 4.668574051e+02 1.26 4.309088225e+02 4.309088225e+02 1.28 3.973630268e+02 3.973630268e+02 1.30 3.661007087e+02 3.661007087e+02 1.32 3.370036272e+02 3.370036272e+02 1.34 3.099552611e+02 3.099552611e+02 1.36 2.848413267e+02 2.848413267e+02 1.38 2.615502052e+02 2.615502052e+02 1.40 2.399733031e+02 2.399733031e+02 1.42 2.200053591e+02 2.200053591e+02 1.44 2.015447082e+02 2.015447082e+02 1.46 1.844935007e+02 1.844935007e+02 1.48 1.687578815e+02 1.687578815e+02 1.50 1.542481283e+02 1.542481283e+02 1.52 1.408787508e+02 1.408787508e+02 1.54 1.285685508e+02 1.285685508e+02 1.56 1.172406452e+02 1.172406452e+02 1.58 1.068224537e+02 1.068224537e+02 1.60 9.724565752e+01 9.724565752e+01 1.62 8.844612911e+01 8.844612911e+01 1.64 8.036383579e+01 8.036383579e+01 1.66 7.294272169e+01 7.294272169e+01 1.68 6.613057190e+01 6.613057190e+01 1.70 5.987886224e+01 5.987886224e+01 1.72 5.414259689e+01 5.414259689e+01 1.74 4.888012083e+01 4.888012083e+01 1.76 4.405291686e+01 4.405291686e+01 1.78 3.962542567e+01 3.962542567e+01 1.80 3.556487218e+01 3.556487218e+01 1.82 3.184109479e+01 3.184109479e+01 1.84 2.842637502e+01 2.842637502e+01 1.86 2.529527314e+01 2.529527314e+01 1.88 2.242446964e+01 2.242446964e+01 1.90 1.979261312e+01 1.979261312e+01 1.92 1.738017489e+01 1.738017489e+01 1.94 1.516931052e+01 1.516931052e+01 1.96 1.314372890e+01 1.314372890e+01 1.98 1.128855869e+01 1.128855869e+01 2.00 9.590198011e+00 9.590198011e+00 2.02 8.036201301e+00 8.036201301e+00 2.04 6.615189796e+00 6.615189796e+00 2.06 5.316764013e+00 5.316764013e+00 2.08 4.131264342e+00 4.131264342e+00 2.10 3.049602506e+00 3.049602506e+00 2.12 2.063423869e+00 2.063423869e+00 2.14 1.165062966e+00 1.165062966e+00 2.16 3.474837856e-01 3.474837856e-01 2.18 -3.957741748e-01 -3.957741748e-01 2.20 -1.070645112e+00 -1.070645112e+00 2.22 -1.682581724e+00 -1.682581724e+00 2.24 -2.236596013e+00 -2.236596013e+00 2.26 -2.737296552e+00 -2.737296552e+00 2.28 -3.188922421e+00 -3.188922421e+00 2.30 -3.595374179e+00 -3.595374179e+00 2.32 -3.960242159e+00 -3.960242159e+00 2.34 -4.286832255e+00 -4.286832255e+00 2.36 -4.578189502e+00 -4.578189502e+00 2.38 -4.837119595e+00 -4.837119595e+00 2.40 -5.066207690e+00 -5.066207690e+00 2.42 -5.267836245e+00 -5.267836245e+00 2.44 -5.444202853e+00 -5.444202853e+00 2.46 -5.597335324e+00 -5.597335324e+00 2.48 -5.729105410e+00 -5.729105410e+00 2.50 -5.841241349e+00 -5.841241349e+00 2.52 -5.935339352e+00 -5.935339352e+00 2.54 -6.012874143e+00 -6.012874143e+00 2.56 -6.075208595e+00 -6.075208595e+00 2.58 -6.123602575e+00 -6.123602575e+00 2.60 -6.159221067e+00 -6.159221067e+00 2.62 -6.183117783e+00 -6.183117783e+00 2.64 -6.196166304e+00 -6.196166304e+00 2.66 -6.199159854e+00 -6.199159854e+00 2.68 -6.192847984e+00 -6.192847984e+00 2.70 -6.177938895e+00 -6.177938895e+00 2.72 -6.155101630e+00 -6.155101630e+00 2.74 -6.124968121e+00 -6.124968121e+00 2.76 -6.088135113e+00 -6.088135113e+00 2.78 -6.045165971e+00 -6.045165971e+00 2.80 -5.996592377e+00 -5.996592377e+00 2.82 -5.942915922e+00 -5.942915922e+00 2.84 -5.884609603e+00 -5.884609603e+00 2.86 -5.822119240e+00 -5.822119240e+00 2.88 -5.755864793e+00 -5.755864793e+00 2.90 -5.686241610e+00 -5.686241610e+00 2.92 -5.613621599e+00 -5.613621599e+00 2.94 -5.538354319e+00 -5.538354319e+00 2.96 -5.460768010e+00 -5.460768010e+00 2.98 -5.381170550e+00 -5.381170550e+00 3.00 -5.299850350e+00 -5.299850350e+00 3.02 -5.217077178e+00 -5.217077178e+00 3.04 -5.133102928e+00 -5.133102928e+00 3.06 -5.048162320e+00 -5.048162320e+00 3.08 -4.962473542e+00 -4.962473542e+00 3.10 -4.876238832e+00 -4.876238832e+00 3.12 -4.789645000e+00 -4.789645000e+00 3.14 -4.702863895e+00 -4.702863895e+00 3.16 -4.616052820e+00 -4.616052820e+00 3.18 -4.529354903e+00 -4.529354903e+00 3.20 -4.442899428e+00 -4.442899428e+00 3.22 -4.356802143e+00 -4.356802143e+00 3.24 -4.271165550e+00 -4.271165550e+00 3.26 -4.186079211e+00 -4.186079211e+00 3.28 -4.101620076e+00 -4.101620076e+00 3.30 -4.017852880e+00 -4.017852880e+00 3.32 -3.934830614e+00 -3.934830614e+00 3.34 -3.852595134e+00 -3.852595134e+00 3.36 -3.771177922e+00 -3.771177922e+00 3.38 -3.690601043e+00 -3.690601043e+00 3.40 -3.610878322e+00 -3.610878322e+00 3.42 -3.532016769e+00 -3.532016769e+00 3.44 -3.454018240e+00 -3.454018240e+00 3.46 -3.376881318e+00 -3.376881318e+00 3.48 -3.300603345e+00 -3.300603345e+00 3.50 -3.225182500e+00 -3.225182500e+00 3.52 -3.150619784e+00 -3.150619784e+00 3.54 -3.076920718e+00 -3.076920718e+00 3.56 -3.004096593e+00 -3.004096593e+00 3.58 -2.932165101e+00 -2.932165101e+00 3.60 -2.861150271e+00 -2.861150271e+00 3.62 -2.791081700e+00 -2.791081700e+00 3.64 -2.721993195e+00 -2.721993195e+00 3.66 -2.653920993e+00 -2.653920993e+00 3.68 -2.586901809e+00 -2.586901809e+00 3.70 -2.520970938e+00 -2.520970938e+00 3.72 -2.456160628e+00 -2.456160628e+00 3.74 -2.392498859e+00 -2.392498859e+00 3.76 -2.330008581e+00 -2.330008581e+00 3.78 -2.268707422e+00 -2.268707422e+00 3.80 -2.208607774e+00 -2.208607774e+00 3.82 -2.149717177e+00 -2.149717177e+00 3.84 -2.092038870e+00 -2.092038870e+00 3.86 -2.035572426e+00 -2.035572426e+00 3.88 -1.980314375e+00 -1.980314375e+00 3.90 -1.926258763e+00 -1.926258763e+00 3.92 -1.873397628e+00 -1.873397628e+00 3.94 -1.821721380e+00 -1.821721380e+00 3.96 -1.771219084e+00 -1.771219084e+00 3.98 -1.721878689e+00 -1.721878689e+00 4.00 -1.673687187e+00 -1.673687187e+00 4.02 -1.626630745e+00 -1.626630745e+00 4.04 -1.580694810e+00 -1.580694810e+00 4.06 -1.535864195e+00 -1.535864195e+00 4.08 -1.492123154e+00 -1.492123154e+00 4.10 -1.449455456e+00 -1.449455456e+00 4.12 -1.407844445e+00 -1.407844445e+00 4.14 -1.367273100e+00 -1.367273100e+00 4.16 -1.327724091e+00 -1.327724091e+00 4.18 -1.289179829e+00 -1.289179829e+00 4.20 -1.251622514e+00 -1.251622514e+00 4.22 -1.215034178e+00 -1.215034178e+00 4.24 -1.179396730e+00 -1.179396730e+00 4.26 -1.144283490e+00 -1.144283490e+00 4.28 -1.101580927e+00 -1.101580927e+00 4.30 -1.030261942e+00 -1.030261942e+00 4.32 -9.274664222e-01 -9.274664222e-01 4.34 -8.798340549e-01 -8.798340549e-01 4.36 -8.544325991e-01 -8.544325991e-01 4.38 -8.296940488e-01 -8.296940488e-01 4.40 -8.056046768e-01 -8.056046768e-01 4.42 -7.821508391e-01 -7.821508391e-01 4.44 -7.593189889e-01 -7.593189889e-01 4.46 -7.370956888e-01 -7.370956888e-01 4.48 -7.154676229e-01 -7.154676229e-01 4.50 -6.944216065e-01 -6.944216065e-01 4.52 -6.739445963e-01 -6.739445963e-01 4.54 -6.540236982e-01 -6.540236982e-01 4.56 -6.346461754e-01 -6.346461754e-01 4.58 -6.157994549e-01 -6.157994549e-01 4.60 -5.974711342e-01 -5.974711342e-01 4.62 -5.796489858e-01 -5.796489858e-01 4.64 -5.623209626e-01 -5.623209626e-01 4.66 -5.454752018e-01 -5.454752018e-01 4.68 -5.291000281e-01 -5.291000281e-01 4.70 -5.131839571e-01 -5.131839571e-01 4.72 -4.977156977e-01 -4.977156977e-01 4.74 -4.826841536e-01 -4.826841536e-01 4.76 -4.680784255e-01 -4.680784255e-01 4.78 -4.538878119e-01 -4.538878119e-01 4.80 -4.401018098e-01 -4.401018098e-01 4.82 -4.267101155e-01 -4.267101155e-01 4.84 -4.137026242e-01 -4.137026242e-01 4.86 -4.010694302e-01 -4.010694302e-01 4.88 -3.888008261e-01 -3.888008261e-01 4.90 -3.768873024e-01 -3.768873024e-01 4.92 -3.642124986e-01 -3.642124986e-01 4.94 -3.370962513e-01 -3.370962513e-01 4.96 -2.637112998e-01 -2.637112998e-01 4.98 -1.221744824e-01 -1.221744824e-01 5.00 -2.059942634e-23 -2.061342576e-23 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00