{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.40403 0.25 0.75 ] [ 0.59597 0.75 0.25 ] [ 0.996326 0.75 0.75 ] [ 0.003674 0.25 0.25 ] [ 0.881923 0.25 0.07399 ] [ 0.118077 0.75 0.92601 ] [ 0.248035 0.25 0.25 ] [ 0.751965 0.75 0.75 ] [ 0.881923 0.25 0.42601 ] [ 0.118077 0.75 0.57399 ] ] } "species" { "source-value" [ "Cs" "Cs" "N" "N" "O" "O" "O" "O" "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" 5.21069754 "source-unit" "angstrom" } "b" { "source-value" 5.7236688 "source-unit" "angstrom" } "c" { "source-value" 6.25279838 "source-unit" "angstrom" } }