{ "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 0.647527 0.5 ] [ 0.352473 0.352473 0.5 ] [ 0.647527 0 0.5 ] [ 0 0.313207 0 ] [ 0.686793 0.686793 0 ] [ 0.313207 0 0 ] [ 0.666667 0.333333 0.209145 ] [ 0.666667 0.333333 0.790855 ] [ 0.333333 0.666667 0.790855 ] [ 0.333333 0.666667 0.209145 ] [ 0 0 0.703916 ] [ 0 0 0.296084 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "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" 8.36331771014 "source-unit" "angstrom" } "c" { "source-value" 6.224382 "source-unit" "angstrom" } }