{ "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 0.5 0.797266 ] [ 0 0.5 0.202734 ] [ 0.5 0 0.297266 ] [ 0.5 0 0.702734 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.741107 0.853208 ] [ 0.5 0.258893 0.146792 ] [ 0.5 0.741107 0.146792 ] [ 0.5 0.258893 0.853208 ] [ 0.5 0 0.5 ] [ 0 0.241107 0.353208 ] [ 0 0.758893 0.646792 ] [ 0 0.241107 0.646792 ] [ 0 0.758893 0.353208 ] ] } "species" { "source-value" [ "Ba" "Ba" "Sm" "Sm" "Sm" "Sm" "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" 3.83947272102 "source-unit" "angstrom" } "b" { "source-value" 5.92142213135 "source-unit" "angstrom" } "c" { "source-value" 11.6837504802 "source-unit" "angstrom" } }