{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.23875 0.25 ] [ 0.5 0.76125 0.75 ] [ 0 0.73875 0.25 ] [ 0 0.26125 0.75 ] [ 0.5 0.841455 0.431324 ] [ 0.5 0.158545 0.568676 ] [ 0 0.901558 0.75 ] [ 0 0.098442 0.25 ] [ 0.5 0.841455 0.068676 ] [ 0.5 0.158545 0.931324 ] [ 0 0.341455 0.431324 ] [ 0 0.658545 0.568676 ] [ 0.5 0.401558 0.75 ] [ 0.5 0.598442 0.25 ] [ 0 0.341455 0.068676 ] [ 0 0.658545 0.931324 ] ] } "species" { "source-value" [ "Pu" "Pu" "Pu" "Pu" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.04470733 "source-unit" "angstrom" } "b" { "source-value" 14.58820054 "source-unit" "angstrom" } "c" { "source-value" 9.19537074 "source-unit" "angstrom" } }