{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I2cm" } "basis-atom-coordinates" { "source-value" [ [ 0.299288 0.248903 0.99585 ] [ 0.026898 0.0038 0.25 ] [ 0.799288 0.748903 0.00415 ] [ 0.026898 0.9962 0.75 ] [ 0.799288 0.251097 0.99585 ] [ 0.299288 0.751097 0.00415 ] [ 0.799288 0.748903 0.49585 ] [ 0.526898 0.5038 0.75 ] [ 0.299288 0.248903 0.50415 ] [ 0.526898 0.4962 0.25 ] [ 0.299288 0.751097 0.49585 ] [ 0.799288 0.251097 0.50415 ] [ 0.598936 0.921078 0.25 ] [ 0.598936 0.078922 0.75 ] [ 0.098936 0.421078 0.75 ] [ 0.098936 0.578922 0.25 ] [ 0.052767 0 0 ] [ 0.552767 0.5 0 ] [ 0.635173 0.886977 0.75 ] [ 0.635173 0.113023 0.25 ] [ 0.552767 0.5 0.5 ] [ 0.052767 0 0.5 ] [ 0.135173 0.386977 0.25 ] [ 0.135173 0.613023 0.75 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "N" "N" "N" "N" "O" "O" "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" 6.33403224 "source-unit" "angstrom" } "b" { "source-value" 6.58698318 "source-unit" "angstrom" } "c" { "source-value" 8.99172635 "source-unit" "angstrom" } }