{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0.73741 0.25 ] [ 0.5 0.26259 0.75 ] [ 0.5 0.278625 0.25 ] [ 0.5 0.721375 0.75 ] [ 0.5 0.682266 0.494107 ] [ 0.5 0.317734 0.505893 ] [ 0.5 0.682266 0.005893 ] [ 0.5 0.317734 0.994107 ] [ 0 0.6838 0.75 ] [ 0 0.3162 0.25 ] [ 0 0.68384 0.25 ] [ 0 0.31616 0.75 ] [ 0.5 0.984895 0.25 ] [ 0.5 0.015105 0.75 ] ] } "species" { "source-value" [ "Ba" "Ba" "Y" "Y" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.98350603 "source-unit" "angstrom" } "b" { "source-value" 7.7504461 "source-unit" "angstrom" } "c" { "source-value" 7.94366008 "source-unit" "angstrom" } }