{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.162875 0.25 ] [ 0.5 0.837125 0.75 ] [ 0 0.662875 0.25 ] [ 0 0.337125 0.75 ] [ 0 0.948789 0.25 ] [ 0 0.051211 0.75 ] [ 0.5 0.448789 0.25 ] [ 0.5 0.551211 0.75 ] [ 0 0.135368 0.75 ] [ 0 0.864632 0.25 ] [ 0.5 0.635368 0.75 ] [ 0.5 0.364632 0.25 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "H" "H" "H" "H" "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" 3.43182402944 "source-unit" "angstrom" } "b" { "source-value" 11.5577556264 "source-unit" "angstrom" } "c" { "source-value" 3.41955664 "source-unit" "angstrom" } }