{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc2m" } "basis-atom-coordinates" { "source-value" [ [ 0.63775 0.184209 0.75 ] [ 0.63775 0.815791 0.25 ] [ 0.13775 0.684209 0.75 ] [ 0.13775 0.315791 0.25 ] [ 0.409878 0.887276 0.75 ] [ 0.409878 0.112724 0.25 ] [ 0.909878 0.387276 0.75 ] [ 0.909878 0.612724 0.25 ] [ 0.373571 0 0 ] [ 0.373571 0 0.5 ] [ 0.910077 0.885439 0.75 ] [ 0.910077 0.114561 0.25 ] [ 0.873571 0.5 0 ] [ 0.873571 0.5 0.5 ] [ 0.410077 0.385439 0.75 ] [ 0.410077 0.614561 0.25 ] [ 0.640868 0.990044 0.75 ] [ 0.640868 0.009956 0.25 ] [ 0.187296 0.880638 0.993561 ] [ 0.187296 0.119362 0.493561 ] [ 0.624975 0.214397 0.25 ] [ 0.187296 0.119362 0.006439 ] [ 0.187296 0.880638 0.506439 ] [ 0.624975 0.785603 0.75 ] [ 0.140868 0.490044 0.75 ] [ 0.140868 0.509956 0.25 ] [ 0.687296 0.380638 0.993561 ] [ 0.687296 0.619362 0.493561 ] [ 0.124975 0.714397 0.25 ] [ 0.687296 0.619362 0.006439 ] [ 0.687296 0.380638 0.506439 ] [ 0.124975 0.285603 0.75 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Ta" "Ta" "Ta" "Ta" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.16438968198 "source-unit" "angstrom" } "b" { "source-value" 19.9090353562 "source-unit" "angstrom" } "c" { "source-value" 8.37579919 "source-unit" "angstrom" } }