{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.181685 0.181685 0.863096 ] [ 0.818315 0.818315 0.863096 ] [ 0.181685 0.818315 0.136904 ] [ 0.818315 0.181685 0.136904 ] [ 0.681685 0.681685 0.363096 ] [ 0.318315 0.318315 0.363096 ] [ 0.681685 0.318315 0.636904 ] [ 0.318315 0.681685 0.636904 ] ] } "species" { "source-value" [ "K" "K" "Ag" "Ag" "Ag" "Ag" "P" "P" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.62962645921 "source-unit" "angstrom" } "c" { "source-value" 8.5712299254 "source-unit" "angstrom" } }