{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mbc" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0.824755 0.189868 0.5 ] [ 0.810132 0.824755 0 ] [ 0.689868 0.324755 0 ] [ 0.675245 0.689868 0.5 ] [ 0.324755 0.310132 0.5 ] [ 0.310132 0.675245 0 ] [ 0.189868 0.175245 0 ] [ 0.175245 0.810132 0.5 ] [ 0.890172 0.358002 0 ] [ 0.858002 0.390172 0.5 ] [ 0.817228 0.682772 0.75 ] [ 0.817228 0.682772 0.25 ] [ 0.682772 0.182772 0.75 ] [ 0.682772 0.182772 0.25 ] [ 0.641998 0.890172 0.5 ] [ 0.609828 0.858002 0 ] [ 0.390172 0.141998 0 ] [ 0.358002 0.109828 0.5 ] [ 0.317228 0.817228 0.75 ] [ 0.317228 0.817228 0.25 ] [ 0.182772 0.317228 0.75 ] [ 0.182772 0.317228 0.25 ] [ 0.141998 0.609828 0.5 ] [ 0.109828 0.641998 0 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "As" "As" "As" "As" "As" "As" "As" "As" "O" "O" "O" "O" "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" 8.62906476 "source-unit" "angstrom" } "c" { "source-value" 5.76230978 "source-unit" "angstrom" } }