{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4m2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0.5 0.75 ] [ 0 0 0.5 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.987119 ] [ 0.5 0.5 0.752987 ] [ 0 0.5 0.012881 ] [ 0.5 0.5 0.247013 ] [ 0 0.5 0.487119 ] [ 0 0 0.252987 ] [ 0.5 0 0.512881 ] [ 0 0 0.747013 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Zr" "Zr" "Cu" "Cu" "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" 4.23036488 "source-unit" "angstrom" } "c" { "source-value" 9.00502338 "source-unit" "angstrom" } }