{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.860395 0.25 ] [ 0 0.139605 0.75 ] [ 0.5 0.360395 0.25 ] [ 0.5 0.639605 0.75 ] [ 0.5 0.057579 0.25 ] [ 0.5 0.942421 0.75 ] [ 0 0.557579 0.25 ] [ 0 0.442421 0.75 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.0611198101 "source-unit" "angstrom" } "b" { "source-value" 12.1207686027 "source-unit" "angstrom" } "c" { "source-value" 4.15761665 "source-unit" "angstrom" } }