{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.325762 0.861729 0.5 ] [ 0.325762 0.138271 0.5 ] [ 0 0.864044 0 ] [ 0 0.135956 0 ] [ 0.674238 0.138271 0.5 ] [ 0.674238 0.861729 0.5 ] [ 0.825762 0.361729 0.5 ] [ 0.825762 0.638271 0.5 ] [ 0.5 0.364044 0 ] [ 0.5 0.635956 0 ] [ 0.174238 0.638271 0.5 ] [ 0.174238 0.361729 0.5 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Ag" "Ag" "Ag" "Ag" "O" "O" "O" "O" "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" 8.05978839 "source-unit" "angstrom" } "b" { "source-value" 10.17185799 "source-unit" "angstrom" } "c" { "source-value" 3.2204643 "source-unit" "angstrom" } }