{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmce" } "basis-atom-coordinates" { "source-value" [ [ 0.641089 0 0.610486 ] [ 0.858911 0 0.110486 ] [ 0.141089 0 0.889514 ] [ 0.358911 0 0.389514 ] [ 0.141089 0.5 0.610486 ] [ 0.358911 0.5 0.110486 ] [ 0.641089 0.5 0.889514 ] [ 0.858911 0.5 0.389514 ] [ 0.125772 0.75 0.25 ] [ 0.874228 0.75 0.75 ] [ 0.874228 0.25 0.75 ] [ 0.125772 0.25 0.25 ] [ 0.862976 0 0.436008 ] [ 0.637024 0 0.936008 ] [ 0.362976 0 0.063992 ] [ 0.137024 0 0.563992 ] [ 0.625772 0.25 0.25 ] [ 0.374228 0.25 0.75 ] [ 0.374228 0.75 0.75 ] [ 0.625772 0.75 0.25 ] [ 0.362976 0.5 0.436008 ] [ 0.137024 0.5 0.936008 ] [ 0.862976 0.5 0.063992 ] [ 0.637024 0.5 0.563992 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.11287411274 "source-unit" "angstrom" } "b" { "source-value" 6.26793720584 "source-unit" "angstrom" } "c" { "source-value" 18.20676006 "source-unit" "angstrom" } }