{ "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" [ [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0.808615 ] [ 0 0.5 0.191385 ] [ 0.5 0 0.308615 ] [ 0.5 0 0.691385 ] [ 0 0 0.780452 ] [ 0 0 0.219548 ] [ 0 0.5 0 ] [ 0.5 0.5 0.280452 ] [ 0.5 0.5 0.719548 ] [ 0.5 0 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "Li" "Li" "Li" "Li" "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" 4.69173229 "source-unit" "angstrom" } "b" { "source-value" 5.70265202 "source-unit" "angstrom" } "c" { "source-value" 13.55833748 "source-unit" "angstrom" } }