{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.984285 0.796791 ] [ 0.25 0.015715 0.203209 ] [ 0.75 0.484285 0.703209 ] [ 0.25 0.515715 0.296791 ] [ 0.75 0.784694 0.417751 ] [ 0.25 0.215306 0.582249 ] [ 0.75 0.284694 0.082249 ] [ 0.25 0.715306 0.917751 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "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" 3.32201229 "source-unit" "angstrom" } "b" { "source-value" 5.17655213 "source-unit" "angstrom" } "c" { "source-value" 5.56905829 "source-unit" "angstrom" } }