{ "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 0.244819 0.75 ] [ 0.5 0.755181 0.25 ] [ 0 0.744819 0.75 ] [ 0 0.255181 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.958637 0.75 ] [ 0.5 0.041363 0.25 ] [ 0 0.458637 0.75 ] [ 0 0.541363 0.25 ] [ 0 0.058531 0.75 ] [ 0 0.941469 0.25 ] [ 0.5 0.882862 0.961609 ] [ 0.5 0.117138 0.038391 ] [ 0.5 0.117138 0.461609 ] [ 0.5 0.882862 0.538391 ] [ 0.5 0.558531 0.75 ] [ 0.5 0.441469 0.25 ] [ 0 0.382862 0.961609 ] [ 0 0.617138 0.038391 ] [ 0 0.617138 0.461609 ] [ 0 0.382862 0.538391 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "U" "U" "U" "U" "Ag" "Ag" "Ag" "Ag" "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" 4.2883729 "source-unit" "angstrom" } "b" { "source-value" 16.03668362 "source-unit" "angstrom" } "c" { "source-value" 10.9422339 "source-unit" "angstrom" } }