{ "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 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.179157 0.36074 ] [ 0 0.820843 0.63926 ] [ 0.5 0.679157 0.13926 ] [ 0.5 0.320843 0.86074 ] ] } "species" { "source-value" [ "Fe" "Fe" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.88893487 "source-unit" "angstrom" } "b" { "source-value" 5.31372061 "source-unit" "angstrom" } "c" { "source-value" 5.99385396 "source-unit" "angstrom" } }