{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.030852 ] [ 0.666667 0.333333 0.530852 ] [ 0.124876 0.875124 0.249914 ] [ 0.249752 0.124876 0.749914 ] [ 0.875124 0.750248 0.749914 ] [ 0.124876 0.249752 0.249914 ] [ 0.750248 0.875124 0.249914 ] [ 0.875124 0.124876 0.749914 ] [ 0.542127 0.457873 0.056708 ] [ 0.084254 0.542127 0.556708 ] [ 0.457873 0.915746 0.556708 ] [ 0.542127 0.084254 0.056708 ] [ 0.915746 0.457873 0.056708 ] [ 0.457873 0.542127 0.556708 ] [ 0.815243 0.184757 0.293094 ] [ 0.630485 0.815243 0.793094 ] [ 0.184757 0.369515 0.793094 ] [ 0.815243 0.630485 0.293094 ] [ 0.369515 0.184757 0.293094 ] [ 0.184757 0.815243 0.793094 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 9.68330559904 "source-unit" "angstrom" } "c" { "source-value" 6.23407569 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.851555419 "source-unit" "eV" } }