{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.16509 0.83491 0.12545 ] [ 0.83491 0.83491 0.87455 ] [ 0.83491 0.16509 0.12545 ] [ 0.16509 0.16509 0.87455 ] [ 0.66509 0.33491 0.62545 ] [ 0.33491 0.33491 0.37455 ] [ 0.33491 0.66509 0.62545 ] [ 0.66509 0.66509 0.37455 ] ] } "species" { "source-value" [ "Ag" "Ag" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.08775867233 "source-unit" "angstrom" } "c" { "source-value" 6.87929593663 "source-unit" "angstrom" } }