{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0 0.533418 0.75 ] [ 0 0.466582 0.25 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.033418 0.75 ] [ 0.5 0.966582 0.25 ] [ 0 0.178155 0.25 ] [ 0.307452 0 0.5 ] [ 0.307452 0 0 ] [ 0.692548 0 0 ] [ 0.692548 0 0.5 ] [ 0 0.821845 0.75 ] [ 0.5 0.678155 0.25 ] [ 0.807452 0.5 0.5 ] [ 0.807452 0.5 0 ] [ 0.192548 0.5 0 ] [ 0.192548 0.5 0.5 ] [ 0.5 0.321845 0.75 ] [ 0 0.20104 0.75 ] [ 0 0.79896 0.25 ] [ 0.5 0.70104 0.75 ] [ 0.5 0.29896 0.25 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.4009755 "source-unit" "angstrom" } "b" { "source-value" 6.89445601 "source-unit" "angstrom" } "c" { "source-value" 5.99709731 "source-unit" "angstrom" } }