{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.763543 0 ] [ 0.230694 0 0.5 ] [ 0.769306 0 0.5 ] [ 0 0.236457 0 ] [ 0.5 0.263543 0 ] [ 0.730694 0.5 0.5 ] [ 0.269306 0.5 0.5 ] [ 0.5 0.736457 0 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "F" "F" "F" "F" "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" 5.99989618 "source-unit" "angstrom" } "b" { "source-value" 8.12389545 "source-unit" "angstrom" } "c" { "source-value" 3.12649491 "source-unit" "angstrom" } }