{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmab" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.502173 0.242233 ] [ 0.75 0.497827 0.757767 ] [ 0.25 0.002173 0.757767 ] [ 0.75 0.997827 0.242233 ] [ 0.25 0.576409 0.857377 ] [ 0.75 0.423591 0.142623 ] [ 0.25 0.076409 0.142623 ] [ 0.75 0.923591 0.857377 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.23739053 "source-unit" "angstrom" } "b" { "source-value" 5.81735212 "source-unit" "angstrom" } "c" { "source-value" 6.38638927 "source-unit" "angstrom" } }