{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.334669 0.665331 0.5 ] [ 0.834669 0.834669 0 ] [ 0.665331 0.334669 0.5 ] [ 0.165331 0.165331 0 ] [ 0.141493 0.603006 0 ] [ 0.103006 0.358507 0.5 ] [ 0.896994 0.641493 0.5 ] [ 0.858507 0.396994 0 ] [ 0.358507 0.103006 0.5 ] [ 0.641493 0.896994 0.5 ] [ 0.603006 0.141493 0 ] [ 0.396994 0.858507 0 ] [ 0.613624 0.613624 0 ] [ 0.113624 0.886376 0.5 ] [ 0.886376 0.113624 0.5 ] [ 0.386376 0.386376 0 ] [ 0.601047 0.398953 0 ] [ 0.898953 0.898953 0.5 ] [ 0.398953 0.601047 0 ] [ 0.101047 0.101047 0.5 ] [ 0.387083 0.177069 0 ] [ 0.677069 0.112917 0.5 ] [ 0.322931 0.887083 0.5 ] [ 0.612917 0.822931 0 ] [ 0.112917 0.677069 0.5 ] [ 0.887083 0.322931 0.5 ] [ 0.177069 0.387083 0 ] [ 0.822931 0.612917 0 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.79586064 "source-unit" "angstrom" } "c" { "source-value" 3.62957033 "source-unit" "angstrom" } }