{ "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 0.866586 0.25 ] [ 0 0.133414 0.75 ] [ 0.5 0.366586 0.25 ] [ 0.5 0.633414 0.75 ] [ 0.5 0.092467 0.25 ] [ 0.5 0.907533 0.75 ] [ 0 0.592467 0.25 ] [ 0 0.407533 0.75 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Co" "Co" "Co" "Co" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.72566098759 "source-unit" "angstrom" } "b" { "source-value" 11.1859107662 "source-unit" "angstrom" } "c" { "source-value" 3.9846138 "source-unit" "angstrom" } }