{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.249525 0.15643 ] [ 0.5 0.750475 0.84357 ] [ 0 0.250475 0.65643 ] [ 0 0.749525 0.34357 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "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" 2.82350385 "source-unit" "angstrom" } "b" { "source-value" 4.28159377 "source-unit" "angstrom" } "c" { "source-value" 4.71354275 "source-unit" "angstrom" } }