{ "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" [ [ 0.804831 0.093187 0.487107 ] [ 0.304831 0.406813 0.512893 ] [ 0.695169 0.593187 0.012893 ] [ 0.195169 0.906813 0.987107 ] [ 0.195169 0.906813 0.512893 ] [ 0.695169 0.593187 0.487107 ] [ 0.304831 0.406813 0.987107 ] [ 0.804831 0.093187 0.012893 ] [ 0.595372 0.205841 0.379023 ] [ 0.595372 0.205841 0.120977 ] [ 0.904628 0.705841 0.120977 ] [ 0.404628 0.794159 0.879023 ] [ 0.404628 0.794159 0.620977 ] [ 0.904628 0.705841 0.379023 ] [ 0.095372 0.294159 0.879023 ] [ 0.095372 0.294159 0.620977 ] [ 0.660089 0.58177 0.25 ] [ 0.839911 0.08177 0.25 ] [ 0.339911 0.41823 0.75 ] [ 0.160089 0.91823 0.75 ] [ 0.907586 0.034413 0.75 ] [ 0.407586 0.465587 0.25 ] [ 0.592414 0.534413 0.75 ] [ 0.092414 0.965587 0.25 ] [ 0.73838 0.12919 0.382308 ] [ 0.76162 0.62919 0.382308 ] [ 0.23838 0.37081 0.882308 ] [ 0.73838 0.12919 0.117692 ] [ 0.26162 0.87081 0.617692 ] [ 0.26162 0.87081 0.882308 ] [ 0.76162 0.62919 0.117692 ] [ 0.23838 0.37081 0.617692 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "S" "S" "S" "S" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.74980095 "source-unit" "angstrom" } "b" { "source-value" 7.92450374 "source-unit" "angstrom" } "c" { "source-value" 8.66005262 "source-unit" "angstrom" } }