{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.610524 0.153208 ] [ 0 0.389476 0.846792 ] [ 0 0.110524 0.346792 ] [ 0 0.889476 0.653208 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.675773 0.389516 ] [ 0.5 0.324227 0.610484 ] [ 0.5 0.175773 0.110484 ] [ 0.5 0.824227 0.889516 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Pd" "Pd" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.74679118 "source-unit" "angstrom" } "b" { "source-value" 6.21106359 "source-unit" "angstrom" } "c" { "source-value" 11.5935061 "source-unit" "angstrom" } }