{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcam" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.801242 0.5 ] [ 0.25 0.198758 0 ] [ 0.25 0.198758 0.5 ] [ 0.75 0.801242 0 ] [ 0.712785 0.231694 0.75 ] [ 0.787215 0.231694 0.25 ] [ 0.287215 0.768306 0.25 ] [ 0.212785 0.768306 0.75 ] [ 0.889669 0.395181 0.75 ] [ 0.610331 0.395181 0.25 ] [ 0.389669 0.604819 0.75 ] [ 0.110331 0.604819 0.25 ] [ 0.083762 0.888287 0.75 ] [ 0.416238 0.888287 0.25 ] [ 0.583762 0.111713 0.75 ] [ 0.916238 0.111713 0.25 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "C" "C" "C" "C" "S" "S" "S" "S" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.70334144 "source-unit" "angstrom" } "b" { "source-value" 6.84992183 "source-unit" "angstrom" } "c" { "source-value" 7.76653637 "source-unit" "angstrom" } }