{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0 0.75 0.86318 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.75 ] [ 0 0.25 0.13682 ] [ 0.5 0.25 0.36318 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.25 ] [ 0.5 0.75 0.63682 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0.983422 0.246018 ] [ 0.254699 0.75 0.006163 ] [ 0 0.016578 0.746018 ] [ 0.745301 0.75 0.006163 ] [ 0.254699 0.25 0.993837 ] [ 0 0.983422 0.253982 ] [ 0.745301 0.25 0.993837 ] [ 0.5 0.016578 0.753982 ] [ 0 0.483422 0.746018 ] [ 0.754699 0.25 0.506163 ] [ 0.5 0.516578 0.246018 ] [ 0.245301 0.25 0.506163 ] [ 0.754699 0.75 0.493837 ] [ 0.5 0.483422 0.753982 ] [ 0.245301 0.75 0.493837 ] [ 0 0.516578 0.253982 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cd" "Cd" "Cd" "Cd" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.58329177171 "source-unit" "angstrom" } "b" { "source-value" 7.76592356126 "source-unit" "angstrom" } "c" { "source-value" 10.5964946428 "source-unit" "angstrom" } }