{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.181985 0.681985 0 ] [ 0.681985 0.818015 0 ] [ 0.318015 0.181985 0 ] [ 0.818015 0.318015 0 ] [ 0.324017 0.461383 0.5 ] [ 0.675983 0.538617 0.5 ] [ 0.538617 0.324017 0.5 ] [ 0.461383 0.675983 0.5 ] [ 0 0 0.203068 ] [ 0.5 0.5 0.796932 ] [ 0 0 0.796932 ] [ 0.5 0.5 0.203068 ] [ 0.587104 0.087104 0.5 ] [ 0.087104 0.412896 0.5 ] [ 0.912896 0.587104 0.5 ] [ 0.412896 0.912896 0.5 ] [ 0.038617 0.175983 0.5 ] [ 0.175983 0.961383 0.5 ] [ 0.824017 0.038617 0.5 ] [ 0.961383 0.824017 0.5 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.11262755 "source-unit" "angstrom" } "c" { "source-value" 4.02709001 "source-unit" "angstrom" } }