{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.10806 0.386482 ] [ 0.5 0.89194 0.886482 ] [ 0 0.60806 0.386482 ] [ 0 0.39194 0.886482 ] [ 0 0.145237 0.985953 ] [ 0 0.854763 0.485953 ] [ 0.5 0.645237 0.985953 ] [ 0.5 0.354763 0.485953 ] [ 0.5 0.052646 0.07097 ] [ 0.5 0.236896 0.903407 ] [ 0.5 0.763104 0.403407 ] [ 0.5 0.947354 0.57097 ] [ 0 0.552646 0.07097 ] [ 0 0.736896 0.903407 ] [ 0 0.263104 0.403407 ] [ 0 0.447354 0.57097 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cu" "Cu" "Cu" "Cu" "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" 2.79490796 "source-unit" "angstrom" } "b" { "source-value" 11.61807966 "source-unit" "angstrom" } "c" { "source-value" 7.10464826 "source-unit" "angstrom" } }