{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-31m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0.5 ] [ 0.346589 0.346589 0.743467 ] [ 0.653411 0.653411 0.256533 ] [ 0.653411 0 0.743467 ] [ 0.346589 0 0.256533 ] [ 0 0.346589 0.256533 ] [ 0 0.653411 0.743467 ] ] } "species" { "source-value" [ "Sr" "Ca" "Ca" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.96062851 "source-unit" "angstrom" } "c" { "source-value" 7.33017121 "source-unit" "angstrom" } }