{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnan" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.595005 0.5 ] [ 0.25 0.904995 0 ] [ 0.75 0.404995 0.5 ] [ 0.75 0.095005 0 ] [ 0.39219 0.588464 0.845945 ] [ 0.39219 0.911536 0.654055 ] [ 0.10781 0.588464 0.154055 ] [ 0.10781 0.911536 0.345945 ] [ 0.60781 0.411536 0.154055 ] [ 0.60781 0.088464 0.345945 ] [ 0.89219 0.411536 0.845945 ] [ 0.89219 0.088464 0.654055 ] [ 0.839084 0.75 0.75 ] [ 0.660916 0.75 0.25 ] [ 0.160916 0.25 0.25 ] [ 0.339084 0.25 0.75 ] [ 0.25 0.230443 0 ] [ 0.75 0.730443 0.5 ] [ 0.75 0.769557 0 ] [ 0.25 0.269557 0.5 ] [ 0.492767 0.167269 0.596156 ] [ 0.492767 0.332731 0.903844 ] [ 0.007233 0.167269 0.403844 ] [ 0.007233 0.332731 0.096156 ] [ 0.507233 0.832731 0.403844 ] [ 0.507233 0.667269 0.096156 ] [ 0.992767 0.832731 0.596156 ] [ 0.992767 0.667269 0.903844 ] [ 0.122069 0.374628 0.646114 ] [ 0.122069 0.125372 0.853886 ] [ 0.377931 0.374628 0.353886 ] [ 0.377931 0.125372 0.146114 ] [ 0.877931 0.874628 0.146114 ] [ 0.622069 0.625372 0.646114 ] [ 0.622069 0.874628 0.853886 ] [ 0.877931 0.625372 0.353886 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" 5.99245757 "source-unit" "angstrom" } "b" { "source-value" 9.62331156 "source-unit" "angstrom" } "c" { "source-value" 10.36935725 "source-unit" "angstrom" } }