{ "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 0.836459 0.607199 ] [ 0.5 0.163541 0.107199 ] [ 0.5 0.836459 0.892801 ] [ 0.5 0.862024 0.25 ] [ 0.5 0.163541 0.392801 ] [ 0.5 0.137976 0.75 ] [ 0 0.336459 0.607199 ] [ 0 0.663541 0.107199 ] [ 0 0.336459 0.892801 ] [ 0 0.362024 0.25 ] [ 0 0.663541 0.392801 ] [ 0 0.637976 0.75 ] [ 0 0.00235 0.564167 ] [ 0.5 0.806143 0.75 ] [ 0 0.99765 0.064167 ] [ 0.5 0.193857 0.25 ] [ 0 0.00235 0.935833 ] [ 0 0.99765 0.435833 ] [ 0.5 0.50235 0.564167 ] [ 0 0.306143 0.75 ] [ 0.5 0.49765 0.064167 ] [ 0 0.693857 0.25 ] [ 0.5 0.50235 0.935833 ] [ 0.5 0.49765 0.435833 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.78891988 "source-unit" "angstrom" } "b" { "source-value" 6.59509346 "source-unit" "angstrom" } "c" { "source-value" 16.42138828 "source-unit" "angstrom" } }