{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.683059 0 ] [ 0.316941 0.316941 0 ] [ 0.683059 0 0 ] [ 0 0.349177 0.5 ] [ 0.650823 0.650823 0.5 ] [ 0.349177 0 0.5 ] [ 0 0 0.714119 ] [ 0 0 0.285881 ] [ 0.333333 0.666667 0.781129 ] [ 0.333333 0.666667 0.218871 ] [ 0.666667 0.333333 0.218871 ] [ 0.666667 0.333333 0.781129 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.9161603 "source-unit" "angstrom" } "c" { "source-value" 5.92082736 "source-unit" "angstrom" } }