{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.782919 0.120194 ] [ 0 0.217081 0.879806 ] [ 0 0.782919 0.879806 ] [ 0.5 0 0 ] [ 0 0.217081 0.120194 ] [ 0.5 0.282919 0.620194 ] [ 0.5 0.717081 0.379806 ] [ 0.5 0.282919 0.379806 ] [ 0 0.5 0.5 ] [ 0.5 0.717081 0.620194 ] [ 0.5 0.5 0.826342 ] [ 0.5 0.5 0.173658 ] [ 0 0 0.326342 ] [ 0 0 0.673658 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Br" "Br" "Br" "Br" "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" 3.91647861479 "source-unit" "angstrom" } "b" { "source-value" 6.08946061562 "source-unit" "angstrom" } "c" { "source-value" 11.8437509846 "source-unit" "angstrom" } }