{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.635677 ] [ 0.5 0.25 0.864323 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.75 0.135677 ] [ 0 0.75 0.364323 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.764165 0.25 0.997998 ] [ 0.5 0.501719 0.735338 ] [ 0.235835 0.25 0.997998 ] [ 0.5 0.998281 0.735338 ] [ 0 0.501719 0.764662 ] [ 0.264165 0.25 0.502002 ] [ 0 0.998281 0.764662 ] [ 0.735835 0.25 0.502002 ] [ 0.264165 0.75 0.497998 ] [ 0 0.001719 0.235338 ] [ 0.735835 0.75 0.497998 ] [ 0 0.498281 0.235338 ] [ 0.5 0.001719 0.264662 ] [ 0.764165 0.75 0.002002 ] [ 0.5 0.498281 0.264662 ] [ 0.235835 0.75 0.002002 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "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" 5.90503642 "source-unit" "angstrom" } "b" { "source-value" 6.09164075 "source-unit" "angstrom" } "c" { "source-value" 8.50225207 "source-unit" "angstrom" } }