{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3_212" } "basis-atom-coordinates" { "source-value" [ [ 0.888947 0.111053 0.666667 ] [ 0.555569 0.444431 0.666667 ] [ 0.888947 0.777894 0.333333 ] [ 0.555569 0.111137 0.333333 ] [ 0.888863 0.444431 0 ] [ 0.222106 0.111053 0 ] [ 0.916188 0.777673 0.931995 ] [ 0.861609 0.416941 0.598714 ] [ 0.916188 0.138515 0.068005 ] [ 0.222327 0.805353 0.265338 ] [ 0.222327 0.416974 0.734662 ] [ 0.861485 0.777673 0.734672 ] [ 0.222327 0.083812 0.401338 ] [ 0.583059 0.444668 0.26538 ] [ 0.583059 0.138391 0.73462 ] [ 0.194647 0.416974 0.932004 ] [ 0.861609 0.444668 0.401286 ] [ 0.194647 0.777673 0.067996 ] [ 0.555332 0.416941 0.067953 ] [ 0.583026 0.805353 0.401329 ] [ 0.583026 0.777673 0.598671 ] [ 0.222327 0.138515 0.598662 ] [ 0.861485 0.083812 0.265328 ] [ 0.555332 0.138391 0.932047 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" 6.07022958282 "source-unit" "angstrom" } "c" { "source-value" 19.6823705 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.911858695416666 "source-unit" "eV" } }