{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.023633 0.941666 0.75 ] [ 0.476367 0.441666 0.75 ] [ 0.523633 0.558334 0.25 ] [ 0.976367 0.058334 0.25 ] [ 0.135168 0.438709 0.25 ] [ 0.18929 0.19352 0.570722 ] [ 0.18929 0.19352 0.929278 ] [ 0.31071 0.69352 0.929278 ] [ 0.31071 0.69352 0.570722 ] [ 0.364832 0.938709 0.25 ] [ 0.635168 0.061291 0.75 ] [ 0.68929 0.30648 0.070722 ] [ 0.68929 0.30648 0.429278 ] [ 0.81071 0.80648 0.070722 ] [ 0.81071 0.80648 0.429278 ] [ 0.864832 0.561291 0.75 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Fe" "Fe" "Fe" "Fe" "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" 4.88329947 "source-unit" "angstrom" } "b" { "source-value" 5.1202935 "source-unit" "angstrom" } "c" { "source-value" 7.36897441 "source-unit" "angstrom" } }