{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.197224 ] [ 0.333333 0.666667 0.697224 ] [ 0 0 0.86025 ] [ 0 0 0.36025 ] [ 0.333333 0.666667 0.010616 ] [ 0.666667 0.333333 0.510616 ] [ 0 0 0.26341 ] [ 0 0 0.76341 ] ] } "species" { "source-value" [ "Sr" "Sr" "H" "H" "Cl" "Cl" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.18258566964 "source-unit" "angstrom" } "c" { "source-value" 10.0796653 "source-unit" "angstrom" } }