{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcnb" } "basis-atom-coordinates" { "source-value" [ [ 0.244805 0.081187 0.12358 ] [ 0.744805 0.918813 0.37642 ] [ 0.255195 0.581187 0.37642 ] [ 0.755195 0.418813 0.12358 ] [ 0.244805 0.581187 0.87642 ] [ 0.744805 0.418813 0.62358 ] [ 0.255195 0.081187 0.62358 ] [ 0.755195 0.918813 0.87642 ] [ 0.5 0.75 0.12175 ] [ 0 0.25 0.37825 ] [ 0.5 0.25 0.87825 ] [ 0 0.75 0.62175 ] ] } "species" { "source-value" [ "W" "W" "W" "W" "W" "W" "W" "W" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.75632168 "source-unit" "angstrom" } "b" { "source-value" 5.23726546 "source-unit" "angstrom" } "c" { "source-value" 6.11103445 "source-unit" "angstrom" } }