{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.746068 0.387484 ] [ 0.75 0.253932 0.612516 ] [ 0.25 0.246068 0.112516 ] [ 0.75 0.753932 0.887484 ] [ 0.25 0.522704 0.665366 ] [ 0.75 0.477296 0.334634 ] [ 0.25 0.022704 0.834634 ] [ 0.75 0.977296 0.165366 ] [ 0.75 0.85838 0.573946 ] [ 0.25 0.14162 0.426054 ] [ 0.75 0.35838 0.926054 ] [ 0.25 0.64162 0.073946 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.07039402 "source-unit" "angstrom" } "b" { "source-value" 8.40884152 "source-unit" "angstrom" } "c" { "source-value" 10.09383651 "source-unit" "angstrom" } }