{ "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" [ [ 0.5 0.853537 0.25 ] [ 0.5 0.146463 0.75 ] [ 0 0.353537 0.25 ] [ 0 0.646463 0.75 ] [ 0 0.068132 0.25 ] [ 0 0.931868 0.75 ] [ 0.5 0.568132 0.25 ] [ 0.5 0.431868 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ga" "Ga" "Ga" "Ga" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.09073021 "source-unit" "angstrom" } "b" { "source-value" 11.56850426 "source-unit" "angstrom" } "c" { "source-value" 4.43053179 "source-unit" "angstrom" } }