{ "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 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.901298 0.233754 ] [ 0.5 0.098702 0.766246 ] [ 0 0.401298 0.266246 ] [ 0 0.598702 0.733754 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.74985 0.646949 ] [ 0 0.24985 0.853051 ] [ 0 0.75015 0.146949 ] [ 0.5 0.25015 0.353051 ] ] } "species" { "source-value" [ "K" "K" "Na" "Na" "Na" "Na" "Au" "Au" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.9861954 "source-unit" "angstrom" } "b" { "source-value" 5.49300477 "source-unit" "angstrom" } "c" { "source-value" 10.29696328 "source-unit" "angstrom" } }