{ "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 0.88784 0.25 ] [ 0.5 0.11216 0.75 ] [ 0 0.38784 0.25 ] [ 0 0.61216 0.75 ] [ 0 0.194977 0.045646 ] [ 0 0.805023 0.954354 ] [ 0 0.805023 0.545646 ] [ 0 0.194977 0.454354 ] [ 0.5 0.090361 0.25 ] [ 0.5 0.909639 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.694977 0.045646 ] [ 0.5 0.305023 0.954354 ] [ 0.5 0.305023 0.545646 ] [ 0.5 0.694977 0.454354 ] [ 0 0.590361 0.25 ] [ 0 0.409639 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.66329179 "source-unit" "angstrom" } "b" { "source-value" 17.64875278 "source-unit" "angstrom" } "c" { "source-value" 7.20838159 "source-unit" "angstrom" } }