{ "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" [ [ 0.25 0.148627 0.572753 ] [ 0.75 0.477876 0.671079 ] [ 0.75 0.977876 0.828921 ] [ 0.75 0.351373 0.072753 ] [ 0.25 0.522124 0.328921 ] [ 0.75 0.851373 0.427247 ] [ 0.25 0.648627 0.927247 ] [ 0.25 0.022124 0.171079 ] [ 0.25 0.754017 0.611838 ] [ 0.25 0.254017 0.888162 ] [ 0.75 0.745983 0.111838 ] [ 0.75 0.245983 0.388162 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "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" 4.34440972 "source-unit" "angstrom" } "b" { "source-value" 7.14429872 "source-unit" "angstrom" } "c" { "source-value" 8.39237484 "source-unit" "angstrom" } }