{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.801469 0.602939 0.449019 ] [ 0.488192 0.511808 0.25 ] [ 0.511808 0.023616 0.75 ] [ 0.976384 0.488192 0.75 ] [ 0.397061 0.198531 0.050981 ] [ 0.602939 0.801469 0.550981 ] [ 0.198531 0.397061 0.949019 ] [ 0.801469 0.198531 0.050981 ] [ 0.198531 0.801469 0.550981 ] [ 0.801469 0.602939 0.050981 ] [ 0.198531 0.397061 0.550981 ] [ 0.602939 0.801469 0.949019 ] [ 0.023616 0.511808 0.25 ] [ 0 0 0 ] [ 0.397061 0.198531 0.449019 ] [ 0.198531 0.801469 0.949019 ] [ 0.801469 0.198531 0.449019 ] [ 0.488192 0.976384 0.25 ] [ 0 0 0.5 ] [ 0.511808 0.488192 0.75 ] [ 0.876522 0.123478 0.75 ] [ 0.123478 0.246956 0.25 ] [ 0.123478 0.876522 0.25 ] [ 0.753044 0.876522 0.25 ] [ 0.246956 0.123478 0.75 ] [ 0.876522 0.753044 0.75 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 9.03932535831 "source-unit" "angstrom" } "c" { "source-value" 7.82756232 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 2.948346575 "source-unit" "eV" } }