{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.873611 0.25 ] [ 0 0.126389 0.75 ] [ 0.5 0.373611 0.25 ] [ 0.5 0.626389 0.75 ] [ 0.5 0.151397 0.25 ] [ 0.5 0.848603 0.75 ] [ 0 0.651397 0.25 ] [ 0 0.348603 0.75 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "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" 4.11187918054 "source-unit" "angstrom" } "b" { "source-value" 11.7162549248 "source-unit" "angstrom" } "c" { "source-value" 4.10789579 "source-unit" "angstrom" } }