{ "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" [ [ 0.83712 0.036661 0.25 ] [ 0.33712 0.463339 0.75 ] [ 0.66288 0.536661 0.25 ] [ 0.16288 0.963339 0.75 ] [ 0.332101 0.17737 0.068374 ] [ 0.832101 0.32263 0.931626 ] [ 0.167899 0.67737 0.431626 ] [ 0.667899 0.82263 0.568374 ] [ 0.667899 0.82263 0.931626 ] [ 0.167899 0.67737 0.068374 ] [ 0.832101 0.32263 0.568374 ] [ 0.332101 0.17737 0.431626 ] [ 0.439068 0.876994 0.25 ] [ 0.939068 0.623006 0.75 ] [ 0.060932 0.376994 0.25 ] [ 0.560932 0.123006 0.75 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.49084468 "source-unit" "angstrom" } "b" { "source-value" 5.03018045 "source-unit" "angstrom" } "c" { "source-value" 6.7393073 "source-unit" "angstrom" } }