{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.345725 ] [ 0.5 0 0.654275 ] [ 0 0.5 0.845725 ] [ 0 0.5 0.154275 ] [ 0.5 0.263303 0.196344 ] [ 0.5 0.736697 0.803656 ] [ 0.5 0.263303 0.803656 ] [ 0.5 0.641196 0 ] [ 0.5 0.358804 0 ] [ 0.5 0.736697 0.196344 ] [ 0 0.763303 0.696344 ] [ 0 0.236697 0.303656 ] [ 0 0.763303 0.303656 ] [ 0 0.141196 0.5 ] [ 0 0.858804 0.5 ] [ 0 0.236697 0.696344 ] ] } "species" { "source-value" [ "Th" "Th" "Cr" "Cr" "Cr" "Cr" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.11881635 "source-unit" "angstrom" } "b" { "source-value" 6.56818967 "source-unit" "angstrom" } "c" { "source-value" 8.35713465 "source-unit" "angstrom" } }