{ "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 0 ] [ 0.5 0.5 0.5 ] [ 0.261672 0 0.5 ] [ 0.238328 0.5 0 ] [ 0.761672 0.5 0 ] [ 0.738328 0 0.5 ] [ 0 0.254485 0.5 ] [ 0.5 0.245515 0 ] [ 0.5 0 0.239326 ] [ 0 0.5 0.260674 ] [ 0.5 0.754485 0 ] [ 0 0.745515 0.5 ] [ 0 0.5 0.739326 ] [ 0.5 0 0.760674 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.81207891297 "source-unit" "angstrom" } "b" { "source-value" 6.51296181036 "source-unit" "angstrom" } "c" { "source-value" 6.65595722609 "source-unit" "angstrom" } }