{ "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 0.5 0.203153 ] [ 0 0.5 0.796847 ] [ 0.5 0 0.703153 ] [ 0.5 0 0.296847 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.740279 0.850706 ] [ 0.5 0.259721 0.149294 ] [ 0.5 0.740279 0.149294 ] [ 0.5 0.259721 0.850706 ] [ 0.5 0 0.5 ] [ 0 0.240279 0.350706 ] [ 0 0.759721 0.649294 ] [ 0 0.240279 0.649294 ] [ 0 0.759721 0.350706 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Ba" "Ba" "Ni" "Ni" "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" 3.8038434893 "source-unit" "angstrom" } "b" { "source-value" 5.82906028268 "source-unit" "angstrom" } "c" { "source-value" 11.4804549167 "source-unit" "angstrom" } }