{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2mm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.023813 0 ] [ 0.5 0.488171 0 ] [ 0 0.523813 0.5 ] [ 0.5 0.988171 0.5 ] [ 0.5 0.186467 0 ] [ 0.5 0.686467 0.5 ] [ 0 0.997941 0.294238 ] [ 0 0.997941 0.705762 ] [ 0.5 0.805667 0 ] [ 0 0.497941 0.794238 ] [ 0 0.497941 0.205762 ] [ 0.5 0.305667 0.5 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "O" "O" "F" "F" "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" 3.10626751 "source-unit" "angstrom" } "b" { "source-value" 6.81136559 "source-unit" "angstrom" } "c" { "source-value" 6.98516514 "source-unit" "angstrom" } }