{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcm" } "basis-atom-coordinates" { "source-value" [ [ 0.82624 0.25 0.280624 ] [ 0.17376 0.75 0.719376 ] [ 0.82624 0.75 0.219376 ] [ 0.17376 0.25 0.780624 ] [ 0.808287 0.25 0.427671 ] [ 0.191713 0.75 0.572329 ] [ 0.808287 0.75 0.072329 ] [ 0.191713 0.25 0.927671 ] [ 0.326147 0.395854 0.120332 ] [ 0.673853 0.895854 0.879668 ] [ 0.326147 0.604146 0.379668 ] [ 0.673853 0.104146 0.620332 ] [ 0.673853 0.604146 0.879668 ] [ 0.326147 0.104146 0.120332 ] [ 0.673853 0.395854 0.620332 ] [ 0.326147 0.895854 0.379668 ] [ 0.04117 0.25 0.356245 ] [ 0.95883 0.75 0.643755 ] [ 0.04117 0.75 0.143755 ] [ 0.95883 0.25 0.856245 ] [ 0.538565 0.25 0.099417 ] [ 0.461435 0.75 0.900583 ] [ 0.538565 0.75 0.400583 ] [ 0.461435 0.25 0.599417 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "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" 4.13427834 "source-unit" "angstrom" } "b" { "source-value" 6.79560608 "source-unit" "angstrom" } "c" { "source-value" 13.5494103 "source-unit" "angstrom" } }