{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.084566 0.75 ] [ 0.5 0.915434 0.25 ] [ 0 0.584566 0.75 ] [ 0 0.415434 0.25 ] [ 0 0.200898 0.25 ] [ 0 0.799102 0.75 ] [ 0.5 0.700898 0.25 ] [ 0.5 0.299102 0.75 ] [ 0 0.930699 0.75 ] [ 0 0.069301 0.25 ] [ 0 0.774695 0.25 ] [ 0 0.225305 0.75 ] [ 0.5 0.430699 0.75 ] [ 0.5 0.569301 0.25 ] [ 0.5 0.274695 0.25 ] [ 0.5 0.725305 0.75 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ag" "Ag" "Ag" "Ag" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.66612395021 "source-unit" "angstrom" } "b" { "source-value" 20.3445710146 "source-unit" "angstrom" } "c" { "source-value" 6.04444603 "source-unit" "angstrom" } }