{ "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 0.113987 0.25 ] [ 0.5 0.886013 0.75 ] [ 0 0.613987 0.25 ] [ 0 0.386013 0.75 ] [ 0 0.867416 0.25 ] [ 0 0.132584 0.75 ] [ 0.5 0.367416 0.25 ] [ 0.5 0.632584 0.75 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.74040725876 "source-unit" "angstrom" } "b" { "source-value" 13.3583423628 "source-unit" "angstrom" } "c" { "source-value" 5.30780328 "source-unit" "angstrom" } }