{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.523283 0.846005 ] [ 0.75 0.023283 0.653995 ] [ 0.25 0.976717 0.346005 ] [ 0.75 0.476717 0.153995 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0.25 0.223754 0.088935 ] [ 0.25 0.276246 0.588935 ] [ 0.75 0.776246 0.911065 ] [ 0.75 0.723754 0.411065 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Cu" "Cu" "Cu" "Cu" "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" 5.31486252 "source-unit" "angstrom" } "b" { "source-value" 6.29872432 "source-unit" "angstrom" } "c" { "source-value" 10.71625287 "source-unit" "angstrom" } }