{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.107296 ] [ 0 0 0.892704 ] [ 0.5 0 0.678839 ] [ 0 0.5 0.321161 ] [ 0 0.5 0.948263 ] [ 0.5 0 0.051737 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cl" "Cl" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.24979776 "source-unit" "angstrom" } "b" { "source-value" 3.93935304 "source-unit" "angstrom" } "c" { "source-value" 8.02321056 "source-unit" "angstrom" } }