{ "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" [ [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0.793267 0.25 ] [ 0 0.206733 0.75 ] [ 0.5 0.293267 0.25 ] [ 0.5 0.706733 0.75 ] [ 0.5 0.805724 0.25 ] [ 0.5 0.194276 0.75 ] [ 0 0.074279 0.615407 ] [ 0 0.925721 0.384593 ] [ 0.5 0.83068 0.881997 ] [ 0.5 0.16932 0.118003 ] [ 0.5 0.16932 0.381997 ] [ 0.5 0.83068 0.618003 ] [ 0 0.074279 0.884593 ] [ 0 0.925721 0.115407 ] [ 0 0.305724 0.25 ] [ 0 0.694276 0.75 ] [ 0.5 0.574279 0.615407 ] [ 0.5 0.425721 0.384593 ] [ 0 0.33068 0.881997 ] [ 0 0.66932 0.118003 ] [ 0 0.66932 0.381997 ] [ 0 0.33068 0.618003 ] [ 0.5 0.574279 0.884593 ] [ 0.5 0.425721 0.115407 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Al" "Al" "Al" "Al" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.63438046 "source-unit" "angstrom" } "b" { "source-value" 10.04118918 "source-unit" "angstrom" } "c" { "source-value" 9.70182619 "source-unit" "angstrom" } }