{ "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 0.356258 0.25 ] [ 0 0.643742 0.75 ] [ 0.5 0.856258 0.25 ] [ 0.5 0.143742 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.238828 0.974498 0.25 ] [ 0.238828 0.025502 0.75 ] [ 0 0.232919 0.041398 ] [ 0 0.232919 0.458602 ] [ 0 0.767081 0.541398 ] [ 0 0.767081 0.958602 ] [ 0.761172 0.974498 0.25 ] [ 0.761172 0.025502 0.75 ] [ 0.738828 0.474498 0.25 ] [ 0.738828 0.525502 0.75 ] [ 0.5 0.732919 0.041398 ] [ 0.5 0.732919 0.458602 ] [ 0.5 0.267081 0.541398 ] [ 0.5 0.267081 0.958602 ] [ 0.261172 0.474498 0.25 ] [ 0.261172 0.525502 0.75 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Fe" "Fe" "Fe" "Fe" "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" 5.58831738 "source-unit" "angstrom" } "b" { "source-value" 8.3987449 "source-unit" "angstrom" } "c" { "source-value" 6.33330539 "source-unit" "angstrom" } }