{ "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" [ [ 0.5 0.919691 0.611982 ] [ 0.5 0.080309 0.388018 ] [ 0.5 0.080309 0.111982 ] [ 0.5 0.919691 0.888018 ] [ 0 0.864587 0.25 ] [ 0 0.135413 0.75 ] [ 0 0.419691 0.611982 ] [ 0 0.580309 0.388018 ] [ 0 0.580309 0.111982 ] [ 0 0.419691 0.888018 ] [ 0.5 0.364587 0.25 ] [ 0.5 0.635413 0.75 ] [ 0.5 0.215479 0.919563 ] [ 0.5 0.784521 0.080437 ] [ 0.5 0.784521 0.419563 ] [ 0.5 0.215479 0.580437 ] [ 0 0.715479 0.919563 ] [ 0 0.284521 0.080437 ] [ 0 0.284521 0.419563 ] [ 0 0.715479 0.580437 ] [ 0 0.126155 0.539774 ] [ 0 0.873845 0.460226 ] [ 0 0.873845 0.039774 ] [ 0 0.126155 0.960226 ] [ 0 0.176186 0.25 ] [ 0 0.823814 0.75 ] [ 0.5 0.626155 0.539774 ] [ 0.5 0.373845 0.460226 ] [ 0.5 0.373845 0.039774 ] [ 0.5 0.626155 0.960226 ] [ 0.5 0.676186 0.25 ] [ 0.5 0.323814 0.75 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.0778423 "source-unit" "angstrom" } "b" { "source-value" 10.54846796 "source-unit" "angstrom" } "c" { "source-value" 13.59724938 "source-unit" "angstrom" } }