{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.749854 0 ] [ 0 0.250146 0 ] [ 0.5 0.249854 0.5 ] [ 0.5 0.750146 0.5 ] [ 0 0 0.662081 ] [ 0 0 0.337919 ] [ 0.5 0.5 0.162081 ] [ 0.5 0.5 0.837919 ] [ 0.76337 0 0.776742 ] [ 0.76337 0 0.223258 ] [ 0.5 0.686251 0 ] [ 0.5 0.313749 0 ] [ 0.23663 0 0.223258 ] [ 0.23663 0 0.776742 ] [ 0.26337 0.5 0.276742 ] [ 0.26337 0.5 0.723258 ] [ 0 0.186251 0.5 ] [ 0 0.813749 0.5 ] [ 0.73663 0.5 0.723258 ] [ 0.73663 0.5 0.276742 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "P" "P" "P" "P" "S" "S" "S" "S" "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" 7.12569352 "source-unit" "angstrom" } "b" { "source-value" 8.38953641 "source-unit" "angstrom" } "c" { "source-value" 9.15502279 "source-unit" "angstrom" } }