{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbna" } "basis-atom-coordinates" { "source-value" [ [ 0.749682 0.030092 0.107313 ] [ 0.749682 0.469908 0.892687 ] [ 0.750318 0.530092 0.392687 ] [ 0.750318 0.969908 0.607313 ] [ 0.250318 0.969908 0.892687 ] [ 0.250318 0.530092 0.107313 ] [ 0.249682 0.469908 0.607313 ] [ 0.249682 0.030092 0.392687 ] [ 0.05012 0.25 0 ] [ 0.44988 0.75 0.5 ] [ 0.94988 0.75 0 ] [ 0.55012 0.25 0.5 ] [ 0.607223 0.112046 0.848913 ] [ 0.607223 0.387954 0.151087 ] [ 0.892777 0.612046 0.651087 ] [ 0.892777 0.887954 0.348913 ] [ 0.392777 0.887954 0.151087 ] [ 0.392777 0.612046 0.848913 ] [ 0.107223 0.387954 0.348913 ] [ 0.107223 0.112046 0.651087 ] ] } "species" { "source-value" [ "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "O" "O" "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" 5.2600301 "source-unit" "angstrom" } "b" { "source-value" 5.45300149 "source-unit" "angstrom" } "c" { "source-value" 7.37584971 "source-unit" "angstrom" } }