{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0.5 0 0.25 ] [ 0.5 0.5 0.314024 ] [ 0 0 0.814024 ] [ 0.5 0.5 0.685976 ] [ 0 0 0.185976 ] [ 0.311505 0.688495 0.5 ] [ 0.688495 0.311505 0.5 ] [ 0.188495 0.188495 0 ] [ 0.811505 0.811505 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "H" "H" "H" "H" "H" "H" "H" "H" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.23042489 "source-unit" "angstrom" } "c" { "source-value" 8.96065692 "source-unit" "angstrom" } }